Mechanical engineering and materials Books

Book SynopsisA handbook of sustainable energy, covering entire energy aspects from present status to future alternatives under one umbrella This book takes an interdisciplinary system approach to evaluating energy systems so that readers can gain the necessary technical foundation to perform their own performance evaluations and understand their interactions with socioeconomic indicators. Topics include the current and future availability of primary sources, energy supply chain, conversion between different forms of energy, security of energy supply, and efficient end-use of energy sources. Each chapter provides readers with comprehensive background information, an outline of the current technologies, and potential future developments. The book also examines the global, economic, societal, ethical, and environmental issues associated with currently used energy technologies. Energy for Sustainable Society: From Resources to Users starts with ageneral overview of energyTable of ContentsAbout the Authors xvii How Was This Book Born? xix Preface xxi Acknowledgments xxv 1 Overview 1 1.1 Introduction 2 1.2 Elements of an Energy System 4 1.3 Fundamental Concepts 7 1.3.1 Work, Energy, and Power 7 1.3.2 Energy Conservation and Transformation 10 1.4 Energy Statistics 11 1.5 Primary Sources 12 1.5.1 Renewable Sources 13 1.5.2 Non-renewable Sources 14 1.6 Secondary Sources 15 1.6.1 Processed Fuels 15 1.6.1.1 Solid Fuels 16 1.6.1.2 Liquid Fuels 16 1.6.1.3 Gaseous Fuels 16 1.6.2 Electric Power 17 1.7 Energy Carriers 18 1.7.1 Electric Transmission 18 1.7.2 Steam 18 1.7.3 Water, Air, and Heat Transfer Fluids 19 1.7.4 Hydrogen 19 1.8 End Use of Energy 19 1.8.1 Consumption by Sectors 19 1.8.2 Primary Sources Consumed by End-users 21 1.9 Energy Balance 23 1.10 Energy Indicators 24 1.11 Energy and Society 29 1.11.1 Energy Sector 29 1.11.2 Geopolitical Challenges 31 1.12 Energy Engineering 32 1.13 Chapter Review 32 Further Reading 36 References 36 2 Energy Conversion and Storage 37 2.1 Introduction 38 2.2 Work, Energy, and Power 38 2.2.1 Work 39 2.2.2 Energy 39 2.2.3 Power 39 2.3 Conservation Laws 40 2.3.1 Conservation of Mass 41 2.3.2 Conservation of Momentum 41 2.3.3 Conservation of Energy 41 2.3.4 Equivalence of Energy and Mass 42 2.4 Transformation Between Energy Forms 42 2.5 Thermal Energy 44 2.5.1 Temperature and Phase Changes 45 2.5.2 Production of Heat 47 2.5.2.1 Combustion 47 2.5.2.2 Nuclear Reactions 49 2.5.2.3 Electric Heating 49 2.5.3 Heat Transfer 50 2.5.3.1 Conduction 50 2.5.3.2 Convection 51 2.5.3.3 Radiation 51 2.5.4 Thermodynamics 51 2.6 Mechanical Energy 52 2.6.1 Potential Energy 52 2.6.2 Kinetic Energy 52 2.6.3 Potential and Kinetic Energy Exchanges 53 2.6.4 Mechanical Power 54 2.6.5 Mechanical Energy Balance in Incompressible Fluids 54 2.7 Electrical Energy 55 2.7.1 Voltage and Current 56 2.7.2 Electric Power and Energy 56 2.8 Electromechanical Energy Conversion 58 2.9 Photothermal Energy Conversion 59 2.10 Photovoltaic Energy Conversion 60 2.11 Electrochemical Energy Conversion 61 2.11.1 Batteries 61 2.11.2 Fuel Cells 62 2.12 Energy Storage 65 2.12.1 Fuel Storage 66 2.12.2 Potential Energy Storage 67 2.12.3 Kinetic Energy Storage 68 2.12.4 Thermal Energy Storage 69 2.12.5 Compressed Air Storage 71 2.12.6 Hydrogen for Energy Storage 71 2.12.7 Electrical Energy Storage 72 2.12.8 Properties of Energy Storage Systems 73 2.13 Chapter Review 74 Review Quiz 76 References 78 3 Fossil Fuels 81 3.1 Introduction 82 3.2 Resources and Reserves 83 3.3 Physical Properties of Fossil Fuels 85 3.4 Coal 86 3.4.1 Properties of Coal 87 3.4.2 Coal Reserves 89 3.4.3 Coal Mining 89 3.4.3.1 Underground (Deep) Mining 90 3.4.3.2 Surface (Opencast) Mining 91 3.4.4 Preparation, Handling, and Transportation 91 3.4.5 Coal Production and Consumption 92 3.4.6 Transportation of Coal 93 3.4.7 Environmental Impacts of Coal Production 93 3.4.8 Coal Related Issues 95 3.4.9 Environmental Impacts of Coal Consumption 96 3.5 Petroleum 97 3.5.1 Types of Petroleum Formations 98 3.5.2 Properties of Crude Oil 99 3.5.3 World Oil Resources 101 3.5.4 Oil Exploration 103 3.5.5 Well Drilling Techniques 104 3.5.5.1 Planning 104 3.5.5.2 Vertical Drilling 105 3.5.5.3 Directional Drilling 105 3.5.5.4 Hydraulic Fracturing 106 3.5.5.5 Offshore and Deep Water Drilling 107 3.5.6 Recovery of Conventional Oil Deposits 108 3.5.6.1 Light Tight Oil Recovery 108 3.5.6.2 Sand Oil Recovery 110 3.5.7 Crude Oil Production 114 3.5.8 Fuel Conversions 115 3.5.9 Oil Transportation and Distribution 117 3.5.10 Challenges of the Petroleum Industry 117 3.5.10.1 Oil Well Tragedies 117 3.5.10.2 Oil Transport Hazards 118 3.6 Natural Gas 120 3.6.1 Purification and Processing of Natural-Gas 121 3.6.2 Natural Gas Resources and Reserves 123 3.6.3 Unconventional Natural Gas 123 3.6.4 Natural Gas Transportation 125 3.6.5 Storage of Natural Gas 126 3.6.6 Natural Gas Consumption 127 3.6.7 Environmental Impacts of Natural Gas Consumption 128 3.7 Chapter Review 129 Review Quiz 130 Research Topics and Problems 133 Recommended Web Sites 135 References 135 4 Nuclear Energy 139 4.1 Introduction 140 4.2 Basic Concepts of Nuclear Physics 141 4.2.1 Basic Definitions 142 4.2.2 Binding Energy and Mass Defect 143 4.3 Nuclear Reactions 145 4.3.1 Fusion Reaction 145 4.3.2 Fission Reaction 146 4.3.3 Radioactive Decay 149 4.3.4 Health Effects of Nuclear Radiation 151 4.4 Nuclear Fuels 153 4.4.1 Resources, Reserves, Production, and Consumption 153 4.4.2 Nuclear Fuel Cycle 155 4.4.2.1 Fuel Preparation 155 4.4.2.2 Uranium Enrichment 155 4.4.2.3 Nuclear Fuel Assembly 156 4.4.2.4 Critical Mass for Sustained Chain Reaction 156 4.4.2.5 Disposal of Used Nuclear Material 157 4.5 Nuclear Reactors 157 4.5.1 Reactor Core 159 4.5.2 Fuel Assembly 160 4.5.3 Moderator 160 4.5.4 Control Rods 161 4.5.5 Cooling System 161 4.5.6 Reactor Types 162 4.5.6.1 Pressurized Water Reactor (PWR) 162 4.5.6.2 Boiling Water Reactor (BWR) 163 4.5.6.3 Pressurized Heavy-Water Reactor (PHWR) 164 4.5.6.4 Gas Cooled Reactor (GCR) 165 4.5.6.5 Light Water-Cooled Graphite Reactor (LWGR) 165 4.5.6.6 Sodium Cooled Fast Breeder Reactor (FBR) 165 4.6 Safety of Nuclear Power Plants 166 4.6.1 Nuclear Safety Concepts 167 4.6.2 Reactor Protection Systems 168 4.6.3 Major Nuclear Power Plant Accidents 168 4.6.3.1 Three Mile Island Accident 169 4.6.3.2 Chernobyl Nuclear Accident 170 4.6.3.3 Fukushima Daiichi Nuclear Accident 171 4.6.4 Consequences of Nuclear Accidents 171 4.7 Status of Commercial Nuclear Power 173 4.8 Outlook for Commercial Reactors 178 4.9 Benefits and Challenges of Nuclear Power Plants 179 4.10 Chapter Review 182 References 187 5 Renewable Energy Sources 189 5.1 Introduction 190 5.2 Common Features of Renewables 191 5.3 Energy Supply from Renewable Sources 193 5.3.1 Installed Renewable Power Capacity 193 5.3.2 Capacity Factor 197 5.4 Renewable Resource Potential 197 5.4.1 Assessment of Non-combustible Resources 198 5.4.2 Assessment of Biomass Resources 198 5.5 Benefits and Challenges of Renewable Energy 199 5.6 Solar Energy 203 5.6.1 Solar Resource Potential 203 5.6.2 End-use of Solar Energy 204 5.6.2.1 Passive Solar Buildings 207 5.6.2.2 Heat Production 207 5.6.2.3 Solar Electric Generation 208 5.6.3 Strengths and Challenges of Solar Energy 208 5.7 Wind Energy 209 5.7.1 Electric Generation Potential of Wind Resource 210 5.7.2 Strengths and Challenges of Wind Energy 213 5.7.3 Environmental Impacts of Wind Powered Generation 214 5.7.3.1 Visual Impact 214 5.7.3.2 Impacts on Wildlife 215 5.7.3.3 Audible Noise 215 5.8 Hydraulic Energy 215 5.8.1 Hydroelectric Potential 216 5.8.2 Strengths and Challenges of Hydroelectric Generation 217 5.9 Geothermal Energy 221 5.9.1 Sources of Geothermal Energy 222 5.9.2 Geothermal Energy Potential 223 5.9.3 End-uses of Geothermal Energy 223 5.9.3.1 Geothermal Heating 224 5.9.3.2 Geothermal Power Generation 225 5.9.4 Strengths and Challenges of Geothermal Energy 228 5.10 Biomass Energy 229 5.10.1 Biomass Sources 229 5.10.2 Energy Potential of Biomass Resources 232 5.10.3 Bioenergy Conversion Technologies 233 5.10.3.1 Thermochemical Conversion 234 5.10.3.2 Physicochemical Conversion 234 5.10.3.3 Biological Conversion 234 5.10.4 Strengths and Challenges of Bioenergy 235 5.11 Future Trend of Renewable Energy Development 236 5.12 Chapter Review 237 5.13 Review Quiz 239 References 243 6 Electric Energy Systems 245 6.1 Introduction 246 6.2 Evolution of Electric Power Systems 246 6.2.1 Early Electrification Systems 248 6.2.2 Development of Transmission Options for Growing Needs 250 6.2.3 Interconnected Grid 252 6.3 Fundamental Concepts of Electric Circuit Analysis 254 6.3.1 Basic Definitions 254 6.3.2 Fundamental Laws 255 6.3.3 DC Circuits 256 6.3.4 AC Circuits 257 6.3.4.1 Fundamental Concepts and Definitions 257 6.3.4.2 Phasor Quantities 258 6.3.5 Three Phase Electric System 260 6.3.6 Per-Phase Analysis 263 6.4 AC Power 263 6.4.1 Power in Single-Phase Circuits 263 6.4.2 Power Factor Considerations 265 6.4.3 Power in Three-Phase Systems 267 6.5 Electromagnetic Field 268 6.5.1 Ampere’s Law 268 6.5.2 Magnetic Flux 268 6.5.3 Magnetic Properties of Substances 269 6.5.4 Magnetic Circuits 270 6.5.5 Faraday’s Law 272 6.6 Transformers 274 6.6.1 Operation Principle 274 6.6.2 Industrial Transformer Tests 277 6.6.2.1 Open-circuit (No-load) Test 277 6.6.2.2 Short-circuit Test 277 6.6.3 Three-phase Transformers 278 6.7 Electromechanical Energy Conversion 280 6.7.1 Basic Motor and Generator 281 6.7.2 Efficiency of Electromechanical Energy Conversion 282 6.8 Electric Generation 284 6.8.1 Synchronous Generators 284 6.8.1.1 Single-Phase Generation 285 6.8.1.2 Three-phase Generation 285 6.8.1.3 Motor Operation 286 6.8.1.4 Rotating Magnetic Field 287 6.8.2 Induction Machines 288 6.8.2.1 Induction Motor 288 6.8.2.2 Induction Generator 290 6.9 Electric Transmission and Distribution 292 6.9.1 Transmission Line Parameters 293 6.9.1.1 Line Resistance 294 6.9.1.2 Line Inductance 295 6.9.1.3 Line Capacitance 295 6.9.2 Representation of Transmission Lines 296 6.9.3 Short Transmission Lines 297 6.9.3.1 Resistive Losses 297 6.9.4 DC Transmission and Distribution 299 6.9.4.1 Voltage Regulation 300 6.10 Electric Loads 300 6.11 Chapter Review 301 References 305 7 Thermal Power Generation 307 7.1 Introduction 308 7.2 Principles of Thermodynamics 309 7.2.1 Heat and Temperature 309 7.2.1.1 Common Temperature Scales 309 7.2.1.2 Absolute Temperature Scale 310 7.2.2 Internal Energy 312 7.2.3 Laws of Thermodynamics 312 7.2.3.1 Thermal Equilibrium: Zeroth Law of Thermodynamics 312 7.2.3.2 First Law of Thermodynamics: Conservation of Energy 312 7.2.3.3 Second Law of Thermodynamics: Direction of Heat Flow 313 7.2.4 Entropy 313 7.2.5 Enthalpy 314 7.2.6 Reversibility of Energy Flow 315 7.2.7 State of a System 315 7.3 Thermodynamic Processes 315 7.3.1 Isothermal Process 316 7.3.2 Adiabatic Process 316 7.3.3 Carnot Cycle 317 7.3.4 Carnot Heat Engine 318 7.4 Efficiency and Heat Rate 318 7.4.1 Carnot Efficiency 318 7.4.2 Heat Rate of Thermoelectric Generation Units 319 7.5 Steam Turbines 320 7.5.1 Evaporation Properties of Water 321 7.6 Carnot Heat Engine 324 7.7 Rankine Cycle 328 7.8 Improved Efficiency Steam Turbines 331 7.9 Gas Turbines 332 7.9.1 Brayton (Joule) Cycle 333 7.10 Improved Efficiency Thermal Systems 335 7.10.1 Combined Cycle Gas Turbine (CCGT) 336 7.10.2 Combined Heat and Power (CHP) Systems 336 7.11 Chapter Review 337 References 342 8 Hydropower 343 8.1 Introduction 344 8.2 Basic Concepts of Hydrodynamics 344 8.2.1 Density and Specific Mass 344 8.2.2 Pressure 345 8.2.3 Flow Rate 345 8.2.4 Conservation of Mass in Steady Liquid Flow 346 8.3 Bernoulli’s Principle 346 8.4 Euler’s Turbomachine Equation 347 8.5 Hydraulic Turbines 348 8.5.1 Pelton Turbine 350 8.5.2 Francis Turbine 351 8.5.3 Kaplan Turbine 353 8.6 Hydroelectric Generation 354 8.7 Turbine Selection 356 8.8 Hydroelectric Station Types 356 8.9 Dam Structures 357 8.10 Strengths and Challenges of Hydroelectric Power Plants 358 8.11 Chapter Review 360 References 364 9 Wind Energy Systems 365 9.1 Introduction 366 9.2 Sources of Wind 367 9.3 Wind Shear 369 9.4 Wind Regimes 371 9.4.1 Site Wind Profile 372 9.4.2 Weibull Distribution 374 9.4.3 Rayleigh Distribution 376 9.5 Wind Turbine Types 377 9.5.1 Maximum Turbine Power and Torque 379 9.5.2 Performance Coefficients 381 9.5.3 Blade Aerodynamics 383 9.5.3.1 Pitch Angle 383 9.5.3.2 Lift and Drag Forces 385 9.5.3.3 Chord Length 387 9.5.4 Blade Design 388 9.6 Wind-powered Electric Generation 389 9.6.1 Turbine-Generator Characteristics 389 9.6.2 Output Power Control 390 9.6.2.1 Pitch Control 390 9.6.2.2 Stall Control 391 9.6.3 Generator Types 391 9.6.3.1 Synchronous Generators 392 9.6.3.2 Asynchronous (Induction) Generators 393 9.6.3.3 Stand-Alone Operation 394 9.6.3.4 Grid Connected Operation 394 9.6.4 Grid Integration of Wind Powered Generation 395 9.7 Energy Output Estimation 395 9.8 Chapter Review 398 References 403 10 Solar Energy Systems 405 10.1 Introduction 406 10.2 Solar Radiation 407 10.2.1 Solar Constant 407 10.2.2 Effect of Clear Atmosphere on Solar Radiation 409 10.2.3 Solar Geometry 409 10.2.4 Solar Time 412 10.2.5 Incident Solar Radiation on a Collecting Surface 413 10.2.6 Estimation of Total Irradiance on an Inclined Surface 414 10.2.6.1 Estimation of Direct-Beam Radiation 415 10.2.6.2 Estimation of Diffuse Radiation 415 10.2.6.3 Reflected Radiation 415 10.2.7 Solar Array Orientation 416 10.3 Solar Thermal Energy Conversion 416 10.3.1 Solar Collector Types 416 10.3.2 Solar Collector Performance and Efficiency 418 10.4 Photovoltaic Energy Conversion 419 10.4.1 Structure of Silicon Crystal 419 10.4.2 Operation of a PV Cell 420 10.4.3 Output Characteristic and Delivered Power 423 10.4.4 PV Technologies and Cell Efficiency 425 10.5 PV Generation Systems 426 10.5.1 PV Generation System Configurations 428 10.6 Concentrated Solar Power 429 10.7 Chapter Review 430 References 435 11 Energy Security 437 11.1 Introduction 438 11.2 Aspects of Energy Security 439 11.2.1 Types of Energy Security Concerns 440 11.2.2 Short-term Energy Security 441 11.2.3 Mid-term Energy Security 442 11.2.4 Long-term Energy Security 442 11.2.5 Energy Security Indicators 443 11.3 Cost of Electric Outages 444 11.4 Resource Availability 447 11.5 Energy Interdependence 449 11.6 Chapter Review 452 References 455 12 Energy and Sustainable Development 457 12.1 Introduction 458 12.2 Sustainable Development Goals 458 12.3 Environmental Impacts of Energy Systems 460 12.3.1 Ground Level Air Pollution 460 12.3.2 Acid Rain 461 12.3.3 Greenhouse Effect and Climate Change 461 12.3.4 Carbon Footprint of Consumers 465 12.4 Energy, Water, and Food Interactions 468 12.4.1 Water Sources 470 12.4.2 Water Use for Energy 470 12.4.3 Energy Use for Water 472 12.4.4 Energy Invested for Energy 475 12.5 Energy Management 478 12.5.1 Resource Coordination 479 12.5.2 Supply-side Energy Management 480 12.5.3 Load-side Energy Management 483 12.5.4 Site Energy and Source Energy 486 12.5.4.1 Direct Use of Fuels 487 12.5.4.2 Use of Grid Electricity 488 12.5.4.3 On-site Electric Generation 490 12.6 Chapter Review 491 References 495 Appendix A: Unit Conversion Factors 499 Appendix B: Calorific Values of Common Fuels 503 Appendix C: Abbreviations and Acronyms 507 Glossary 513 Index 519

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Book SynopsisA comprehensive and up-to-date reference on holographic recording Photorefractive Materials for Dynamic Optical Recording offers a comprehensive overview of the physics, technology, and characterization of photorefractive materials that are used for optical recording. The author, a noted expert on the topic, offers an exploration of both transient and permanent holographic information storage methods. The text is written in clear terms with coherent explanations of the different methods that allows for easy access to the most appropriate method for a specific need. The book provides an analysis of the fundamental properties of the materials and explores the dynamic recording of a spatial electric charge distribution and the associated spatial electric ?eld distribution. The text also includes information on the characterization of photorefractive materials using holographic and nonholographic optical methods and electrical techniques, reporting a large nuTable of ContentsList of Figures xi List of Tables xxxiii Preface xxxv Acknowledgments xxxvii Part I Fundamentals 1 1 Electro-Optic Effect 5 1.1 Light Propagation in Crystals 5 1.2 Tensorial Analysis 8 1.3 Electro-Optic Effect 8 1.4 Perovskite Crystals 11 1.5 Sillenite Crystals 11 1.6 Concluding Remarks 17 2 Photoactive Centers and Photoconductivity 19 2.1 Photoactive Centers: Deep and Shallow Traps 20 2.2 Luminescence 28 2.3 Photoconductivity 29 2.4 Photovoltaic Effect 40 2.5 Nonlinear Photovoltaic Effect 44 2.6 Light-Induced Absorption or Photochromic Effect 48 2.7 Dember or Light-Induced Schottky Effect 51 Part II Holographic Recording 55 3 Recording a Space-Charge Electric Field 57 3.1 Index-of-Refraction Modulation 60 3.2 General Formulation 63 3.3 First Spatial Harmonic Approximation 66 3.4 Steady-State Nonstationary Process: Running Holograms 72 3.5 Photovoltaic Materials 84 4 Volume HologramwithWave Mixing 89 4.1 CoupledWaveTheory: Fixed Grating 89 4.2 Dynamic CoupledWaveTheory 92 4.3 Phase Modulation 115 4.4 Four-Wave Mixing 119 4.5 Conclusions 120 5 Anisotropic Diffraction 121 5.1 Coupled-Wave with Anisotropic Diffraction 121 5.2 Anisotropic Diffraction and Optical Activity 122 6 Stabilized Holographic Recording 125 6.1 Introduction 125 6.2 Mathematical Formulation 127 6.3 Self-Stabilized Recording in Actual Materials 135 Part III Materials Characterization 151 7 General Electrical and Optical Techniques 155 7.1 Electro-Optic Coefficient 155 7.2 Light-Induced Absorption 157 7.3 Dark Conductivity 161 7.4 Photoconductivity 162 7.5 Photo-Electric Conversion 173 7.6 Modulated Photoconductivity 175 7.7 Photo-Electromotive-Force Techniques (PEMF) 178 8 Holographic Techniques 189 8.1 Holographic Recording and Erasing 189 8.2 Direct Holographic Techniques 189 8.3 Hologram Recording 195 8.4 Hologram Erasure 195 8.5 Materials 197 8.6 Phase Modulation Techniques 205 8.7 Holographic Photo-Electromotive-Force (HPEMF) Techniques 218 9 Self-Stabilized Holographic Techniques 229 9.1 Holographic Phase Shift 229 9.2 Fringe-Locked Running Holograms 232 9.3 Characterization of LiNbO3:Fe 239 Part IV Applications 243 10 Vibrations and Deformations 245 10.1 Measurement of Vibration and Deformation 245 10.2 Experimental Setup 246 11 Fixed Holograms 257 11.1 Introduction 257 11.2 Fixed Holograms in LiNbO3 257 12 Photoelectric Conversion 263 12.1 Photoelectric Conversion Efficiency: Dember and Photovoltaic Effects 263 Part V Appendix 265 Introduction 266 Appendix A Reversible Real-Time Holograms 267 A.1 Naked-Eye Detection 267 A.2 Instrumental Detection 268 Appendix B Diffraction EfficiencyMeasurement 271 B.1 Angular Bragg Selectivity 271 B.2 Reversible Holograms 274 B.3 High Index-of-Refraction Material 275 Appendix C Effectively Applied Electric Field 279 Appendix D PhysicalMeaning of Some Parameters 281 D.1 Temperature 281 D.2 Diffusion and Mobility 284 Appendix E Photodiodes 287 E.1 Photovoltaic Regime 288 E.2 Photoconductive Regime 289 E.3 Operational Amplifier 290 Bibliography 291 Index 305

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Book SynopsisProvides comprehensive coverage of theory and hands-on implementation of computer vision-based sensors for structural health monitoring This book is the first to fill the gap between scientific research of computer vision and its practical applications for structural health monitoring (SHM). It provides a complete, state-of-the-art review of the collective experience that the SHM community has gained in recent years. It also extensively explores the potentials of the vision sensor as a fast and cost-effective tool for solving SHM problems based on both time and frequency domain analytics, broadening the application of emerging computer vision sensor technology in not only scientific research but also engineering practice. Computer Vision for Structural Dynamics and Health Monitoring presents fundamental knowledge, important issues, and practical techniques critical to successful development of vision-based sensors in detail, including robustness of template matching techniques for tTable of ContentsList of Figures ix List of Tables xv Series Preface xvii Preface xix About the Companion Website xxi 1 Introduction 1 1.1 Structural Health Monitoring: A Quick Review 1 1.2 Computer Vision Sensors for Structural Health Monitoring 3 1.3 Organization of the Book 7 2 Development of a Computer Vision Sensor for Structural Displacement Measurement 11 2.1 Vision Sensor System Hardware 11 2.2 Vision Sensor System Software: Template-Matching Techniques 15 2.2.1 Area-Based Template Matching 16 2.2.2 Feature-Based Template Matching 20 2.3 Coordinate Conversion and Scaling Factors 22 2.3.1 Camera Calibration Method 23 2.3.2 Practical Calibration Method 25 2.4 Representative Template Matching Algorithms 28 2.4.1 Intensity-Based UCC Technique 28 2.4.2 Gradient-Based Robust OCM Technique 33 2.4.3 Vision Sensor Software Package and Operation 39 2.5 Summary 40 3 Performance Evaluation Through Laboratory and Field Tests 43 3.1 Seismic Shaking Table Test 43 3.2 Shaking Table Test of Frame Structure 1 46 3.2.1 Test Description 46 3.2.2 Subpixel Resolution 47 3.2.3 Performance When Tracking Artificial Targets 48 3.2.4 Performance When Tracking Natural Targets 49 3.2.5 Error Quantification 51 3.2.6 Evaluation of OCM and UCC Robustness 51 3.3 Seismic Shaking Table Test of Frame Structure 2 56 3.4 Free Vibration Test of a Beam Structure 59 3.4.1 Test Description 59 3.4.2 Evaluation of the Practical Calibration Method 60 3.5 Field Test of a Pedestrian Bridge 63 3.6 Field Test of a Highway Bridge 66 3.7 Field Test of Two Railway Bridges 67 3.7.1 Test Description 69 3.7.2 Daytime Measurements 72 3.7.3 Nighttime Measurements 72 3.7.4 Field Performance Evaluation 75 3.8 Remote Measurement of the Vincent Thomas Bridge 81 3.9 Remote Measurement of the Manhattan Bridge 82 3.10 Summary 87 4 Application in Modal Analysis, Model Updating, and Damage Detection 89 4.1 Experimental Modal Analysis 91 4.1.1 Modal Analysis of a Frame 91 4.1.2 Modal Analysis of a Beam 97 4.2 Model Updating as a Frequency-Domain Optimization Problem 101 4.3 Damage Detection 108 4.3.1 Mode Shape Curvature-Based Damage Index 108 4.3.2 Test Description 109 4.3.3 Damage Detection Results 110 4.4 Summary 112 5 Application in Model Updating of Railway Bridges under Trainloads 115 5.1 Field Measurement of Bridge Displacement under Trainloads 116 5.2 Formulation of the Finite Element Model 118 5.2.1 Modeling the Train-Track-Bridge Interaction 118 5.2.2 Finite Element Model of the Railway Bridge 120 5.3 Sensitivity Analysis and Finite Element Model Updating 121 5.3.1 Model Updating as a Time-Domain Optimization Problem 122 5.3.2 Sensitivity Analysis of Displacement and Acceleration Responses 123 5.3.3 Finite Element Model Updating 127 5.4 Dynamic Characteristics of Short-Span Bridges under Trainloads 130 5.5 Summary 136 6 Application in Simultaneously Identifying Structural Parameters and Excitation Forces 139 6.1 Simultaneous Identification Using Vision-Based Displacement Measurements 140 6.1.1 Structural Parameter Identification as a Time-Domain Optimization Problem 141 6.1.2 Force Identification Based on Structural Displacement Measurements 142 6.1.3 Simultaneous Identification Procedure 144 6.2 Numerical Example 146 6.2.1 Robustness to Noise and Number of Sensors 147 6.2.2 Robustness to Initial Stiffness Values 150 6.2.3 Robustness to Damping Ratio Values 150 6.3 Experimental Validation 154 6.3.1 Test Description 154 6.3.2 Identification Results 155 6.4 Summary 157 7 Application in Estimating Cable Force 171 7.1 Vision Sensor for Estimating Cable Force 172 7.1.1 Vibration Method 172 7.1.2 Procedure for Vision-Based Cable Tension Estimation 173 7.2 Implementation in the Hard Rock Stadium Renovation Project 174 7.2.1 Hard Rock Stadium 175 7.2.2 Test Description 176 7.2.3 Estimating and Validating Cable Force 178 7.3 Implementation in the Bronx-Whitestone Bridge Suspender Replacement Project 184 7.3.1 Bronx-Whitestone Bridge 184 7.3.2 Estimating Suspender Tension 185 7.4 Summary 187 8 Achievements, Challenges, and Opportunities 191 8.1 Capabilities of Vision-Based Displacement Sensors: A Summary 191 8.1.1 Artificial vs. Natural Targets 192 8.1.2 Single-Point vs. Multipoint Measurements 192 8.1.3 Pixel vs. Subpixel Resolution 193 8.1.4 2D vs. 3D Measurements 194 8.1.5 Real Time vs. Post Processing 194 8.2 Sources of Error in Vision-Based Displacement Sensors 195 8.2.1 Camera Motion 196 8.2.2 Coordinate Conversion 197 8.2.3 Hardware Limitations 198 8.2.4 Environmental Sources 198 8.3 Vision-Based Displacement Sensors for Structural Health Monitoring 199 8.3.1 Dynamic Displacement Measurement 199 8.3.2 Modal Property Identification 201 8.3.3 Model Updating and Damage Detection 202 8.3.4 Cable Force Estimation 203 8.4 Other Civil and Structural Engineering Applications 204 8.4.1 Automated Machine Visual Inspection 204 8.4.2 Onsite Construction Tracking and Safety Monitoring 206 8.4.3 Vehicle Load Estimation 206 8.4.4 Other Applications 207 8.5 Future Research Directions 208 Appendix: Fundamentals of Digital Image Processing Using MATLAB 211 A.1 Digital Image Representation 211 A.2 Noise Removal 214 A.3 Edge Detection 216 A.4 Discrete Fourier Transform 217 References 221 Index 229

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Book SynopsisOffers a step-by-step guide to building autonomous vehicles and robots, with source code and accompanying videos The first book of its kind on the detailed steps for creating an autonomous vehicle or robot, this book provides an overview of the technology and introduction of the key elements involved in developing autonomous vehicles, and offers an excellent introduction to the basics for someone new to the topic of autonomous vehicles and the innovative, modular-based engineering approach called DragonFly. Engineering Autonomous Vehicles and Robots: The DragonFly Modular-based Approach covers everything that technical professionals need to know about: CAN bus, chassis, sonars, radars, GNSS, computer vision, localization, perception, motion planning, and more. Particularly, it covers Computer Vision for active perception and localization, as well as mapping and motion planning. The book offers several case studies on the building of an autonomous pTable of Contents1 Affordable and Reliable Autonomous Driving Through Modular Design 1 1.1 Introduction 1 1.2 High Cost of Autonomous Driving Technologies 2 1.2.1 Sensing 2 1.2.2 HD Map Creation and Maintenance 3 1.2.3 Computing Systems 3 1.3 Achieving Affordability and Reliability 4 1.3.1 Sensor Fusion 4 1.3.2 Modular Design 5 1.3.3 Extending Existing Digital Maps 5 1.4 Modular Design 6 1.4.1 Communication System 7 1.4.2 Chassis 7 1.4.3 mmWave Radar and Sonar for Passive Perception 8 1.4.4 GNSS for Localization 8 1.4.5 Computer Vision for Active Perception and Localization 8 1.4.6 Planning and Control 8 1.4.7 Mapping 9 1.5 The Rest of the Book 9 1.6 Open Source Projects Used in this Book 10 References 11 2 In-Vehicle Communication Systems 13 2.1 Introduction 13 2.2 CAN 13 2.3 FlexRay 16 2.3.1 FlexRay Topology 16 2.3.2 The FlexRay Communication Protocol 17 2.4 CANopen 18 2.4.1 Object Dictionary 19 2.4.2 Profile Family 19 2.4.3 Data Transmission and Network Management 20 2.4.4 Communication Models 21 2.4.5 CANopenNode 21 References 22 3 Chassis Technologies for Autonomous Robots and Vehicles 23 3.1 Introduction 23 3.2 Throttle-by-Wire 23 3.3 Brake-by-Wire 25 3.4 Steer-by-Wire 25 3.5 Open Source Car Control 26 3.5.1 OSCC APIs 26 3.5.2 Hardware 27 3.5.3 Firmware 28 3.6 OpenCaret 29 3.6.1 OSCC Throttle 29 3.6.2 OSCC Brake 29 3.6.3 OSCC Steering 29 3.7 PerceptIn Chassis Software Adaptation Layer 30 References 34 4 Passive Perception with Sonar and Millimeter Wave Radar 35 4.1 Introduction 35 4.2 The Fundamentals of mmWave Radar 35 4.2.1 Range Measurement 36 4.2.2 Velocity Measurement 37 4.2.3 Angle Detection 38 4.3 mmWave Radar Deployment 38 4.4 Sonar Deployment 41 References 45 5 Localization with Real-Time Kinematic Global Navigation Satellite System 47 5.1 Introduction 47 5.2 GNSS Technology Overview 47 5.3 RTK GNSS 49 5.4 RTK-GNSS NtripCaster Setup Steps 52 5.4.1 Set up NtripCaster 52 5.4.2 Start NtripCaster 54 5.5 Setting Up NtripServer and NtripClient on Raspberry Pi 55 5.5.1 Install the Raspberry Pi System 55 5.5.2 Run RTKLIB-str2str on the Raspberry Pi 57 5.5.2.1 Running NtripServer on the Base Station Side 57 5.5.2.2 Running NtripClient on the GNSS Rover 58 5.6 Setting Up a Base Station and a GNSS Rover 59 5.6.1 Base Station Hardware Setup 59 5.6.2 Base Station Software Setup 60 5.6.3 GNSS Rover Setup 67 5.6.3.1 Rover Hardware Setup 67 5.6.3.2 Rover Software Setup 68 5.7 FreeWave Radio Basic Configuration 71 References 75 6 Computer Vision for Perception and Localization 77 6.1 Introduction 77 6.2 Building Computer Vision Hardware 77 6.2.1 Seven Layers of Technologies 78 6.2.2 Hardware Synchronization 80 6.2.3 Computing 80 6.3 Calibration 81 6.3.1 Intrinsic Parameters 81 6.3.2 Extrinsic Parameters 82 6.3.3 Kalibr 82 6.3.3.1 Calibration Target 83 6.3.3.2 Multiple Camera Calibration 83 6.3.3.3 Camera IMU Calibration 84 6.3.3.4 Multi-IMU and IMU Intrinsic Calibration 84 6.4 Localization with Computer Vision 85 6.4.1 VSLAM Overview 85 6.4.2 ORB-SLAM2 86 6.4.2.1 Prerequisites 86 6.4.2.2 Building the ORB-SLAM2 Library 87 6.4.2.3 Running Stereo Datasets 87 6.5 Perception with Computer Vision 87 6.5.1 ELAS for Stereo Depth Perception 88 6.5.2 Mask R-CNN for Object Instance Segmentation 89 6.6 The DragonFly Computer Vision Module 90 6.6.1 DragonFly Localization Interface 90 6.6.2 DragonFly Perception Interface 92 6.6.3 DragonFly+ 93 References 94 7 Planning and Control 97 7.1 Introduction 97 7.2 Route Planning 97 7.2.1 Weighted Directed Graph 98 7.2.2 Dijkstra’s Algorithm 99 7.2.3 A* Algorithm 100 7.3 Behavioral Planning 100 7.3.1 Markov Decision Process 101 7.3.2 Value Iteration Algorithm 102 7.3.3 Partially Observable Markov Decision Process (POMDP) 103 7.3.4 Solving POMDP 104 7.4 Motion Planning 105 7.4.1 Rapidly Exploring Random Tree 105 7.4.2 RRT* 106 7.5 Feedback Control 107 7.5.1 Proportional–Integral–Derivative Controller 108 7.5.2 Model Predictive Control 108 7.6 Iterative EM Plannning System in Apollo 110 7.6.1 Terminologies 110 7.6.1.1 Path and Trajectory 110 7.6.1.2 SL Coordinate System and Reference Line 110 7.6.1.3 ST Graph 111 7.6.2 Iterative EM Planning Algorithm 112 7.6.2.1 Traffic Decider 113 7.6.2.2 QP Path and QP Speed 114 7.7 PerceptIn’s Planning and Control Framework 116 References 118 8 Mapping 119 8.1 Introduction 119 8.2 Digital Maps 119 8.2.1 Open Street Map 120 8.2.1.1 OSM Data Structures 120 8.2.1.2 OSM Software Stack 121 8.2.2 Java OpenStreetMap Editor 121 8.2.2.1 Adding a Node or a Way 123 8.2.2.2 Adding Tags 123 8.2.2.3 Uploading to OSM 124 8.2.3 Nominatim 124 8.2.3.1 Nominatim Architecture 124 8.2.3.2 Place Ranking in Nominatim 125 8.3 High-Definition Maps 125 8.3.1 Characteristics of HD Maps 126 8.3.1.1 High Precision 126 8.3.1.2 Rich Geometric Information and Semantics 126 8.3.1.3 Fresh Data 126 8.3.2 Layers of HD Maps 126 8.3.2.1 2D Orthographic Reflectivity Map 127 8.3.2.2 Digital Elevation Model 127 8.3.2.3 Lane/Road Model 127 8.3.2.4 Stationary Map 127 8.3.3 HD Map Creation 127 8.3.3.1 Data Collection 127 8.3.3.2 Offline Generation of HD Maps 128 8.3.3.2.1 Sensor Fusion and Pose Estimation 128 8.3.3.2.2 Map Data Fusion and Data Processing 129 8.3.3.2.3 3D Object Location Detection 129 8.3.3.2.4 Semantics/Attributes Extraction 129 8.3.3.3 Quality Control and Validation 129 8.3.3.4 Update and Maintenance 129 8.3.3.5 Problems of HD Maps 130 8.4 PerceptIn’s π-Map 130 8.4.1 Topological Map 130 8.4.2 π-Map Creation 131 References 133 9 Building the DragonFly Pod and Bus 135 9.1 Introduction 135 9.2 Chassis Hardware Specifications 135 9.3 Sensor Configurations 136 9.4 Software Architecture 138 9.5 Mechanism 142 9.6 Data Structures 144 9.6.1 Common Data Structures 144 9.6.2 Chassis Data 146 9.6.3 Localization Data 149 9.6.4 Perception Data 150 9.6.5 Planning Data 153 9.7 User Interface 158 References 160 10 Enabling Commercial Autonomous Space Robotic Explorers 161 10.1 Introduction 161 10.2 Destination Mars 162 10.3 Mars Explorer Autonomy 163 10.3.1 Localization 163 10.3.2 Perception 164 10.3.3 Path Planning 165 10.3.4 The Curiosity Rover and Mars 2020 Explorer 165 10.4 Challenge: Onboard Computing Capability 168 10.5 Conclusion 169 References 170 11 Edge Computing for Autonomous Vehicles 171 11.1 Introduction 171 11.2 Benchmarks 172 11.3 Computing System Architectures 173 11.4 Runtime 175 11.5 Middleware 177 11.6 Case Studies 178 References 179 12 Innovations on the Vehicle-to-Everything Infrastructure 183 12.1 Introduction 183 12.2 Evolution of V2X Technology 183 12.3 Cooperative Autonomous Driving 186 12.4 Challenges 188 References 189 13 Vehicular Edge Security 191 13.1 Introduction 191 13.2 Sensor Security 191 13.3 Operating System Security 192 13.4 Control System Security 193 13.5 V2X Security 193 13.6 Security for Edge Computing 194 References 196 Index 199

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Book SynopsisPresents current developments in the field of evolutionary scheduling and demonstrates the applicability of evolutionary computational techniques to solving scheduling problems This book provides insight into the use of evolutionary computations (EC) in real-world scheduling, showing readers how to choose a specific evolutionary computation and how to validate the results using metrics and statistics. It offers a spectrum of real-world optimization problems, including applications of EC in industry and service organizations such as healthcare scheduling, aircraft industry, school timetabling, manufacturing systems, and transportation scheduling in the supply chain. It also features problems with different degrees of complexity, practical requirements, user constraints, and MOEC solution approaches. Evolutionary Computation in Scheduling starts with a chapter on scientometric analysis to analyze scientific literature in evolutionary computation in scheduling. It then examines the rolTable of ContentsList of Contributors vii Editors’ Biographies xi Preface xv Acknowledgments xvii 1 Evolutionary Computation in Scheduling: A Scientometric Analysis 1Amir H. Gandomi, Ali Emrouznejad, and Iman Rahimi 2 Role and Impacts of Ant Colony Optimization in Job Shop Scheduling Problems: A Detailed Analysis 11P. Deepalakshmi and K. Shankar 3 Advanced Ant Colony Optimization in Healthcare Scheduling 37Reza Behmanesh, Iman Rahimi, Mostafa Zandieh, and Amir H. Gandomi 4 Task Scheduling in Heterogeneous Computing Systems Using Swarm Intelligence 73S. Sarathambekai and K. Umamaheswari 5 Computationally Efficient Scheduling Schemes for Multiple Antenna Systems Using Evolutionary Algorithms and Swarm Optimization 105Prabina Pattanayak and Preetam Kumar 6 An Efficient Modified Red Deer Algorithm to Solve a Truck Scheduling Problem Considering Time Windows and Deadline for Trucks’ Departure 137Amir Mohammad Fathollahi-Fard, Abbas Ahmadi, and Mohsen S. Sajadieh 7 Application of Sub-Population Scheduling Algorithm in Multi-Population Evolutionary Dynamic Optimization 169Javidan Kazemi Kordestani and Mohammad Reza Meybodi 8 Task Scheduling in Cloud Environments: A Survey of Population-Based Evolutionary Algorithms 213Fahimeh Ramezani, Mohsen Naderpour, Javid Taheri, Jack Romanous, and Albert Y. Zomaya 9 Scheduling of Robotic Disassembly in Remanufacturing Using Bees Algorithms 257Jiayi Liu, Wenjun Xu, Zude Zhou, and Duc Truong Pham 10 A Modified Fireworks Algorithm to Solve the Heat and Power Generation Scheduling Problem in Power System Studies 299Mohammad Sadegh Javadi, Ali Esmaeel Nezhad, Seyed‐Ehsan Razavi, Abdollah Ahmadi, and João P.S. Catalão Index 327

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Book SynopsisSustainable Manufacturing Systems Learn more about energy efficiency in traditional and advanced manufacturing settings with this leading and authoritative resource Sustainable Manufacturing Systems: An Energy Perspective delivers a comprehensive analysis of energy efficiency in sustainable manufacturing. The book presents manufacturing modeling methods and energy efficiency evaluation and improvement methods for different manufacturing systems. It allows industry professionals to understand the methodologies and techniques being embraced around the world that lead to advanced energy management. The book offers readers a comprehensive and systematic theoretical foundation for novel manufacturing system modeling, analysis, and control. It concludes with a summary of the insights and applications contained within and a discussion of future research issues that have yet to be grappled with. Sustainable Manufacturing Systems answers the questions that energy customers, managers, decision mTable of ContentsAuthor Biography xv Preface xvii Acknowledgments xxiii List of Figures xxv Part I Introductions to Energy Efficiency in Manufacturing Systems 1 1 Introduction 3 1.1 Definitions and Practices of Sustainable Manufacturing 3 1.1.1 Current Status of Manufacturing Industry 3 1.1.2 Sustainability in the Manufacturing Sector and Associated Impacts 5 1.1.3 Sustainable Manufacturing Practices 10 1.2 Fundamental of Manufacturing Systems 12 1.2.1 Stages of Product Manufacturing 12 1.2.2 Classification of Manufacturing Systems 13 1.2.2.1 Job Shop 13 1.2.2.2 Project Shop 14 1.2.2.3 Cellular System 15 1.2.2.4 Flow Line 15 1.2.2.5 Continuous System 15 1.3 Problem Statement and Scope 18 Problems 19 References 19 2 Energy Efficiency in Manufacturing Systems 23 2.1 Energy Consumption in Manufacturing Systems 23 2.1.1 Energy and Power Basics 23 2.1.2 Energy Generation 24 2.1.2.1 Primary Energy 25 2.1.2.2 Secondary Energy 27 2.1.3 Energy Distribution 27 2.1.3.1 Electricity 28 2.1.3.2 Steam 30 2.1.3.3 Compressed Air 30 2.1.4 Energy Consumption 31 2.1.4.1 Indirect End Use 33 2.1.4.2 Direct Process End Use 33 2.1.4.3 Direct Non-process End Use 34 2.2 Energy Saving Potentials and Energy Management Strategies for Manufacturing Systems 35 2.2.1 Machine Level 39 2.2.1.1 Intrinsic Characteristics of Machine Tools 41 2.2.1.2 Processing Conditions 42 2.2.2 System Level 43 2.2.2.1 Inhomogeneous System 44 2.2.2.2 Machine Maintenance 45 2.2.3 Plant Level 46 2.2.3.1 Indirect End Use 46 2.2.3.2 Direct Non-process End Use 47 2.3 Demand-side Energy Management 49 2.3.1 Electricity Bill Components 50 2.3.1.1 Electricity Cost 51 2.3.1.2 Demand Cost 51 2.3.1.3 Fixed Cost 52 2.3.2 Energy Efficiency Programs 52 2.3.3 Demand Response Programs 55 2.3.3.1 Incentive-based Programs 56 2.3.3.2 Price Base Options 57 Problems 59 References 59 Part II Mathematical Tools and Modeling Basics 65 3 Mathematical Tools 67 3.1 Probability 67 3.1.1 Fundamentals of Probability Theory 67 3.1.1.1 Basics of Probability Theory 67 3.1.1.2 Axioms of Probability Theory 69 3.1.1.3 Conditional Probability and Independence 72 3.1.1.4 Total Probability Theorem 73 3.1.1.5 Bayes’ Law 74 3.1.2 Random Variables 74 3.1.2.1 Discrete Random Variables 75 3.1.2.2 Continuous Random Variables 82 3.1.3 Random Process 88 3.1.3.1 Discrete-time Markov Chain 89 3.1.3.2 Continuous-time Markov Chain 92 3.2 Petri Net 94 3.2.1 Formal Definition of Petri Net 95 3.2.1.1 Definition of Petri Net 95 3.2.2 Classical Petri Net 99 3.2.2.1 State Machine Petri Net 101 3.2.2.2 Marked Graph 102 3.2.2.3 Systematic Modeling Methods 105 3.2.3 Deterministic Timed Petri Net 106 3.2.4 Stochastic Petri Net 109 3.3 Optimization Methods 113 3.3.1 Fundamentals of Optimization 113 3.3.1.1 Objective Function 114 3.3.1.2 Decision Variables 114 3.3.1.3 Constraints 115 3.3.1.4 Local and Global Optimum 116 3.3.1.5 Near-optimal Solutions 117 3.3.1.6 Single-objective and Multi-objective Optimization 117 3.3.1.7 Deterministic and Stochastic Optimization 118 3.3.2 Genetic Algorithms 119 3.3.2.1 Initialization 119 3.3.2.2 Evaluation 121 3.3.2.3 Selection 121 3.3.2.4 Crossover 123 3.3.2.5 Mutation 124 3.3.2.6 Termination Criteria 125 3.3.3 Particle Swarm Optimizer (PSO) 126 3.3.3.1 Initialization 126 3.3.3.2 Evaluation 128 3.3.3.3 Personal and Global Best Positions 128 3.3.3.4 Updating Velocity and Position 129 3.3.3.5 Termination Criteria 132 Problems 132 References 134 4 Mathematical Modeling of Manufacturing Systems 139 4.1 Basics in Manufacturing System Modeling 139 4.1.1 Structure of Manufacturing Systems 139 4.1.1.1 Basic Components 139 4.1.1.2 Structural Modeling 140 4.1.1.3 Types of Manufacturing Systems 141 4.1.2 Mathematical Models of Machines and Buffers 142 4.1.2.1 Timing Issues for Machines 143 4.1.2.2 Machine Reliability Models 143 4.1.2.3 Parameters of Aggregated Machines 145 4.1.2.4 Mathematical Model of Buffers 146 4.1.2.5 Interaction Between Machines and Buffers 147 4.1.2.6 Buffer State Transition 147 4.1.2.7 Blockage and Starvation 148 4.1.3 Performance Measures 150 4.1.3.1 Blockage and Starvation 150 4.1.3.2 Production Rate and Throughput 151 4.1.3.3 Work-in-process 151 4.2 Two-machine Production Lines 152 4.2.1 Conventions and Notations 152 4.2.1.1 Assumptions 152 4.2.1.2 Notations 152 4.2.2 State Transition 154 4.2.2.1 State Transition Probabilities 155 4.2.2.2 System Dynamics 157 4.2.3 Steady-state Probabilities 157 4.2.3.1 Identical Machines 159 4.2.3.2 Nonidentical Machines 160 4.2.4 Performance Measures 161 4.2.4.1 Blockage and Starvation 161 4.2.4.2 Production Rate 161 4.2.4.3 Work-in-process 162 4.3 Multi-machine Production Lines 162 4.3.1 Assumptions and Notations 163 4.3.1.1 Assumptions 163 4.3.1.2 Notations 163 4.3.2 State Transition 164 4.3.2.1 State Transition Probabilities 165 4.3.2.2 System Dynamics 167 4.3.3 Performance Measures 167 4.3.3.1 Blockage and Starvation 167 4.3.3.2 Production Rate 168 4.3.3.3 Work-in-process 169 4.3.4 System Modeling with Iteration-based Method 169 4.4 Production Lines Coupled with Material Handling Systems 174 4.4.1 Assumptions and Notations 174 4.4.1.1 Assumptions 175 4.4.1.2 Notations 175 4.4.2 State Transition and Performance 175 4.4.2.1 Blockage and Starvation 175 4.4.2.2 Production Rate 176 Problems 179 References 180 5 Energy Efficiency Characterization in Manufacturing Systems 181 5.1 Energy Consumption Modeling 181 5.1.1 Operation-based Energy Modeling 182 5.1.2 Component-based Energy Modeling 185 5.1.3 System-level Energy Modeling 188 5.2 Energy Cost modeling 191 5.2.1 Energy Cost Under Flat Rate 192 5.2.1.1 Energy Consumption Cost 192 5.2.1.2 Demand Cost 192 5.2.2 Energy Cost Under Time-of-use Rate 196 5.2.2.1 Energy Consumption Cost 196 5.2.2.2 Demand Cost 198 5.2.3 Energy Cost Under Critical Peak Price (CPP) 199 5.2.3.1 Energy Consumption Cost 199 5.2.3.2 Demand Cost 200 Problems 203 References 203 Part III Energy Management in Typical Manufacturing Systems 205 6 Electricity Demand Response for Manufacturing Systems 207 6.1 Time-of-use Pricing for Manufacturing Systems 208 6.1.1 Introduction to TOU 208 6.1.2 Survey of TOU Pricing in US Utilities 209 6.1.3 Comparison of Energy Cost Between Flat Rate and TOU Rates 210 6.2 TOU-Based Production Scheduling for Manufacturing Systems 216 6.2.1 Manufacturing Systems Modeling 216 6.2.2 Energy Consumption and Energy Cost Modeling 218 6.2.3 Production Scheduling for TOU-based Demand Response 219 6.2.3.1 Production Scheduling Problem Formulation 219 6.2.3.2 PSO Algorithm for Near-optimal Solutions 220 6.2.3.3 Case Study Setup 221 6.2.3.4 Optimal Production Schedules 222 6.3 Critical Peak Pricing for Manufacturing Systems 228 6.3.1 Introduction to Critical Peak Pricing (CPP) 228 6.3.2 Comparison of Energy Cost Between TOU and CPP Rates 229 Problems 234 Appendix 3.A Supplementary Information of Demand Response Tariffs 235 References 255 7 Energy Control and Optimization for Manufacturing Systems Utilizing Combined Heat and Power System 257 7.1 Introduction to Combined Heat and Power System 257 7.2 Problem Definition and Modeling 258 7.2.1 Objective Function 260 7.2.1.1 Electricity Cost 260 7.2.1.2 Operation Cost for the CHP System and Boiler 261 7.2.2 Constraints 262 7.3 Solution Approach 263 7.3.1 Initialization 263 7.3.2 Evaluation 264 7.3.3 Updating Process 265 7.4 Case Study 266 7.4.1 Case Study Settings 267 7.4.2 Results and Discussions 269 Problems 270 References 271 8 Plant-level Energy Management for Combined Manufacturing and HVAC System 273 8.1 Definition and Modeling 273 8.1.1 Objective Function 274 8.1.1.1 Calculate TEL(t) 276 8.1.1.2 Estimate q(t) 278 8.1.2 Constraints 279 8.2 Solution Approach 281 8.2.1 Initialization 281 8.2.2 Evaluation 282 8.2.3 Updating Process 282 8.3 Case Study 283 8.3.1 Model Settings 284 8.3.2 Results and Discussions 287 Problems 289 References 290 Part IV Energy Management in Advanced Manufacturing Systems 291 9 Energy Analysis of Stereolithography-based Additive Manufacturing 293 9.1 Introduction to Additive Manufacturing 293 9.1.1 Illustration of MIP SL-based AM Process 294 9.2 Energy Consumption Modeling 296 9.2.1 Energy Consumption of UV Curing Process 297 9.2.2 Energy Consumption of Building Platform Movement 298 9.2.3 Energy Consumption of Cooling System 298 9.3 Experimentation 298 9.3.1 Experiment Design Methodology 298 9.3.2 Experiment Apparatus 299 9.4 Results and Discussions 300 9.4.1 Baseline Case Results Using Default Conditions 300 9.4.2 Factorial Analysis Results 302 9.4.3 Product Quality Comparison 305 Problems 308 References 308 10 Energy Efficiency Modeling and Optimization of Cellulosic Biofuel Manufacturing System 311 10.1 Introduction to Cellulosic Biofuel Manufacturing 311 10.2 Energy Modeling of Cellulosic Biofuel Production 313 10.2.1 Energy Modeling of Biomass Size Reduction Process 314 10.2.2 Energy Modeling of Biofuel Chemical Conversion Processes 314 10.2.2.1 Heating Energy 315 10.2.2.2 Energy Loss 316 10.2.2.3 Reaction Energy 317 10.2.2.4 Energy Recovery 320 10.2.2.5 Total Energy Consumption 321 10.3 Energy Consumption Optimization Using PSO 321 10.3.1 Problem Formulation 321 10.3.2 Solution Procedures 322 10.3.2.1 Initialization 322 10.3.2.2 Evaluation 323 10.3.2.3 Updating Process 323 10.4 Case Study 323 10.4.1 Case Settings 324 10.4.2 Energy Analysis of Baseline Case 324 10.4.2.1 Energy Consumption Breakdown 324 10.4.3 Energy Analysis of Optimal Results 327 Problems 328 References 329 11 Energy-consumption Minimized Scheduling of Flexible Manufacturing Systems 333 11.1 Introduction 334 11.2 Construction of Place-timed PN for FMS Scheduling 335 11.2.1 Basic Definitions of PN 335 11.2.2 Place-timed PN Scheduling Models of FMS 336 11.3 Energy Consumption Functions 338 11.3.1 Calculating the Earliest Firing Time of Transitions 339 11.3.2 Two Energy Consumption Functions 340 11.3.2.1 Energy Consumption Function E1 341 11.3.2.2 Energy Consumption Function E2 341 11.4 Dynamic Programming for Scheduling FMS 344 11.4.1 Formulation of DP for FMSs 344 11.4.1.1 States and Stages 344 11.4.1.2 State Transition Equation 344 11.4.1.3 Bellman Equation 345 11.4.2 Reachability Graph of PNS 345 11.4.3 DP Implementation for Scheduling FMS 347 11.5 Modified Dynamic Programming for Scheduling FMS 348 11.5.1 Evaluation Function of Transition Sequences 349 11.5.2 Heuristic Function 350 11.5.3 MDP Algorithm for FMS Scheduling 351 11.6 Case Study 353 11.7 Summary 358 Problems 358 References 359 Part V Summaries and Conclusions 363 12 Research Trends and Future Directions in Sustainable Industrial Development 365 12.1 Insights into Sustainable Industrial Development 365 12.2 Energy and Resource Efficiency in Manufacturing 366 12.2.1 Equipment Design 366 12.2.2 Smart Manufacturing 367 12.3 Industrial Symbiosis 369 12.4 Supply Chain Management 371 12.5 Circular Economy 373 12.6 Life Cycle Assessment 376 References 378 Glossary 387 Acronyms 391 Index 393

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Book SynopsisContains practical insights into automotive system safety with a focus on corporate safety organization and safety management Functional Safety has become important and mandated in the automotive industry by inclusion of ISO 26262 in OEM requirements to suppliers. This unique and practical guide is geared toward helping small and large automotive companies, and the managers and engineers in those companies, improve automotive system safety. Based on the author's experience within the field, it is a useful tool for marketing, sales, and business development professionals to understand and converse knowledgeably with customers and prospects. Automotive System Safety: Critical Considerations for Engineering and Effective Management teaches readers how to incorporate automotive system safety efficiently into an organization. Chapters cover: Safety Expectations for Consumers, OEMs, and Tier 1 Suppliers; System Safety vs. Functional Safety; Safety Audits and AsTable of ContentsSeries Editor’s Foreword ix Preface xi Abbreviations xv 1 Safety Expectations for Consumers, OEMs, and Tier 1 Suppliers 1 Trustworthiness 1 Consumer Expectations 3 OEM Expectations 4 Supplier Expectations 6 2 Safety Organizations 11 The Need for a System Safety Organization 11 Functions of a Safety Organization 12 Critical Criteria for Organizational Success 13 Talent to Perform the Safety Tasks 14 Integral to Product Engineering 14 Career Path for Safety Personnel 15 Safety Process Owned by Program Management 15 Executive Review 16 Pillars of a Safety Process 18 Alternatives, Advantages, and Disadvantages 26 3 System Safety vs. Functional Safety in Automotive Applications 41 Safety Terminology 41 Functional Safety Standards vs. System Safety 42 Background 42 Application of Functional Safety Standards 42 Safety of the Intended Function (e.g. SOTIF, ISO PAS 21448) 44 Triggering Event Analyses 45 Background 45 Systematic Analyses 46 Validation 49 Validation Targets 49 Requirements Verification 50 Release for Production 53 Integration of SOTIF and Functional Safety and Other Considerations 55 Background 55 Analyses and Verification 57 Validation 58 4 Safety Audits and Assessments 61 Background 61 Audits 61 Audit Format 63 Use of External Auditors 65 Assessments 67 System Safety Assessment 67 Work Product Assessment 67 5 Safety Culture 71 Background 71 Characteristics of a Safety Culture 71 Central Safety Organization 72 Safety Managers 74 Joint Development 75 Enterprise Leadership 75 Liability 75 Customers 77 Safety Culture vs. Organization 77 6 Safety Lifecycle 79 Background 79 Concept Phase Safety 80 Preliminary Hazard Analysis 80 Preliminary Architecture 81 Requirements 83 Design Phase Safety 84 Design-Level Safety Requirements 84 Verification 86 Manufacturing Phase Safety 86 Safety in Use 87 Safety in Maintenance 88 Safety in Disposal 90 7 Determining Risk in Automotive Applications 91 Analyze What the Actuator Can Do 91 Analyze Communication Sent and Received 93 Determine Potential for Harm in Different Situations and Quantify 94 Exposure 95 Priority 96 Consider Fire, Smoke, and Toxicity 97 8 Risk Reduction for Automotive Applications 99 History 99 Analysis of Architecture 99 System Interfaces 100 Internal Interfaces 101 Requirements Elicitation and Management 102 Three Sources of Requirements 102 Cascading Requirements 104 Conflicts with Cybersecurity 105 Determination of Timing Risks in an Automotive Application 106 Milestones 106 Samples 107 Program Management 108 Design and Verification 109 Sample Evaluation 109 Verification 111 9 Other Discussion and Disclaimer 113 Background 113 Three Causes of Automotive Safety Recalls – Never “Random” Failures 114 Failure Rates 114 Recalls Due to Random Hardware Failures 115 Causes of Recalls 116 Completeness of Requirements 117 Timing Risk 118 “But It’s Not in the ‘Standard’” 118 Competing Priorities 119 Audits and Assessments 120 Disclaimer and Motivation for Continuous Improvement 121 Policy Statement 122 Governance 122 Metrics 123 Process Documentation 124 Tiered Metric Reporting 125 Use of Metrics 126 10 Summary and Conclusions 131 Background 131 System Safety is More than Functional Safety 131 Safety Requirements 132 Safety Process 133 Five Criteria for a Successful Safety Organization are Key 134 Auditing and the Use of Metrics 135 Auditing 135 Metrics 135 Future Considerations for SOTIF 137 Machine Learning 138 Appendix A IEC 51508 Compared to Typical Automotive Practices 139 Appendix B ISO 26262 – Notes on Automotive Implementation 167 References 215 Index 217

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Book SynopsisThis book provides the latest research & developments and future trends in photoenergy and thin film materialstwo important areas that have the potential to spearhead the future of the industry. Photoenergy materials are expected to be a next generation class of materials to provide secure, safe, sustainable and affordable energy. Photoenergy devices are known to convert the sunlight into electricity. These types of devices are simple in design with a major advantage as they are stand-alone systems able to provide megawatts of power. They have been applied as a power source for solar home systems, remote buildings, water pumping, megawatt scale power plants, satellites, communications, and space vehicles. With such a list of enormous applications, the demand for photoenergy devices is growing every year. On the other hand, thin films coating, which can be defined as the barriers of surface science, the fields of materials science and applied physics are progressing as a unified d

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Book SynopsisA powerful new monograph from an aerodynamicist reviewing modern conventional aerodynamic approaches, this volume covers aspects of subsonic, transonic and supersonic flow, inverse problems, shear flow analysis, jet engine power addition, engine and airframe integration, and other areas, providing readers with the tools needed to evaluate their own ideas and to implement the newer methods suggested in this book. This new book, by a prolific fluid-dynamicist and mathematician who has published more than twenty research monographs, represents not just another contribution to aerodynamics, but a book that raises serious questions about traditionally accepted approaches and formulations, providing new methods that solve longstanding problems of importance to the industry. While both conventional and newer ideas are discussed, the presentations are readable and geared to advanced undergraduates with exposure to elementary differential equations and introductory aerodynamics principles. RTable of ContentsPreface xii Acknowledgements xiv 1 Basic Concepts, Challenges and Methods 1 1.1 Governing Equations - An Unconventional Synopsis 1 1.2 Fundamental “Analysis” or “Forward Modeling” Ideas 6 1.3 Basic “Inverse” or “Indirect Modeling” Ideas 15 1.4 Literature Overview and Modeling Issues 20 1.5 References 32 2 Computational Methods: Subtleties, Approaches and Algorithms 33 2.1 Coding Suggestions and Baseline Solutions 33 2.1.1 Presentation Approach 33 2.1.2 Programming Exercises 35 2.1.3 Model Extensions and Challenges 36 2.2 Finite Difference Methods for Simple Planar Flows 39 2.2.1 Finite Differences - Basic Concepts 39 2.2.2 Formulating Steady Flow Problems 45 2.2.3 Steady Flow Problems 46 2.2.4 Wells and Internal Boundaries 55 2.2.5 Point Relaxation Methods 62 2.2.6 Observations on Relaxation Methods 64 2.3 Examples - Analysis, Direct or Forward Applications 75 2.3.1 Example 1 - Thickness Solution, Centered Slit in Box 76 2.3.2 Example 2 - Half-Space Thickness Solution 91 2.3.3 Example 3 - Centered Symmetric Wedge Flow 98 2.3.4 Example 4 - General Solution with Lift, Centered Slit 101 2.3.5 Example 5 - Transonic Supercritical Airfoil with Type-Dependent Differencing Solution, Subsonic, Mixed Flow and Supersonic Calculations 119 2.3.6 Example 6 - Three-Dimensional, Thickness Only, Finite, Half-Space Solution 129 2.4 Examples - Inverse or Indirect Applications 138 2.4.1 Example 1 - Constant Pressure Specification and Symmetric Thin Ellipse 138 2.4.2 Example 2 - Inverse Problem, Pressure Specification, Centered Sit, Trailing Edge Closed vs Opened 145 2.4.3 Example 3 - Inverse Problem, Pressure Specification, Three-Dimensional Half-Space, Closed Trailing Edge, Nonlifting Symmetric Section 158 3 Advanced Physical Models and Mathematical Approaches 165 3.1 Nonlinear Formulation for Low-Frequency Transonic Flow 170 3.1.1 Introduction 170 3.1.2 Analysis 171 3.1.3 Discussion and Summary 174 3.1.4 References 175 3.2 Effect of Frequency in Unsteady Transonic Flow 176 3.2.1 Introduction 176 3.2.2 Numerical Procedure 177 3.2.3 Results 178 3.2.4 Concluding Remarks 180 3.2.5 References 181 3.3 Harmonic Analysis of Unsteady Transonic Flow 182 3.3.1 Introduction 182 3.3.2 Analytical and Numerical Approach 183 3.3.3 Calculated Results 184 3.3.4 Discussion and Closing Remarks 185 3.3.5 References 188 3.4 Supersonic Wave Drag for Nonplanar Singularity Distributions 189 3.4.1 Introduction 189 3.4.2 Analysis 191 3.4.3 Summary 193 3.4.4 References 194 3.5 Supersonic Wave Drag for Planar Singularity Distributions 195 3.5.1 Introduction 195 3.5.2 Analysis 198 3.5.3 Concluding Remarks 206 3.5.4 References 207 3.6 Pseudo-Transonic Equation with a Diffusion Term 208 3.6.1 Introduction 209 3.6.2 Analysis 209 3.6.3 Summary 212 3.6.4 References 212 3.7 Numerical Solution for Viscous Transonic Flow 213 3.7.1 Introduction 213 3.7.2 Analysis 213 3.7.3 Numerical Approach 216 3.7.4 Sample Calculation 217 3.7.5 Discussion 218 3.7.6 References 220 3.8 Type-Independent Solutions for Mixed Subsonic and Supersonic Compressible Flow 221 3.8.1 Introduction 221 3.8.2 Discussion 221 3.8.3 Numerical Approaches 223 3.8.3.1 Horizontal Line Relaxation 223 3.8.3.2 Vertical Column Relaxation 224 3.8.4 Summary 225 3.8.5 References 227 3.9 Algorithm for Inviscid Compressible Flow Using the Viscous Transonic Equation 228 3.9.1 Introduction 228 3.9.2 Analysis 229 3.9.3 Sample Calculations 231 3.9.4 Summary and Conclusions 232 3.9.5 References 233 3.10 Inviscid Parallel Flow Stability with Nonlinear Mean Profile Distortion 234 3.10.1 Introduction 235 3.10.2 Analysis 235 3.10.3 Discussion and Conclusion 239 3.10.4 References 240 3.11 Aerodynamic Stability of Inviscid Shear Flow Over Flexible Membranes 242 3.11.1 Introduction 242 3.11.2 Analysis 242 3.11.3 Specific Examples 245 3.11.4 Discussion and Concluding Remarks 247 3.11.5 References 248 3.12 Goethert’s Rule with an Improved Boundary Condition 249 3.12.1 Introduction 249 3.12.2 Analysis 250 3.12.3 Summary 253 3.12.4 References 253 3.13 Some Singular Aspects of Three-Dimensional Transonic Flow 254 3.13.1 Analysis 254 3.13.2 Discussion and Summary 257 3.13.3 References 259 4 General Analysis and Inverse Methods for Aerodynamic Modeling 260 4.1 On the Design of Thin Subsonic Airfoils 264 4.1.1 Introduction 264 4.1.2 Analysis 265 4.1.3 First-Order Problem 266 4.1.4 Second-Order Problem 269 4.1.5 Discussion and Conclusion 271 4.1.6 References 273 4.2 Airfoil Design in Subcritical and Supercritical Flows 274 4.2.1 Introduction 274 4.2.2 Streamfunction Formulation 278 4.2.3 Numerical Procedure 281 4.2.4 Calculated Results 284 4.2.5 Discussion and Closing Remarks 285 4.2.6 References 290 4.3 Direct Approach to Aerodynamic Inverse Problems 292 4.3.1 Introduction 292 4.3.2 Theory and Examples 295 4.3.2.1 Constant Density Planar Flows 295 4.3.2.2 Constant Density Flows Past Three-Dimensional Finite Wings 299 4.3.2.3 Compressible Flows Past Finite Wings 301 4.3.2.4 Flows in Fans and Cascades 302 4.3.2.5 Axisymmetric Compressible Flows 303 4.3.3 Sample Calculations 304 4.3.4 Closing Remarks 307 4.3.5 References 310 4.4 Superpotential Solution for Jet Engine External Potential and Internal Rotational Flow Interaction 312 4.4.1 Introduction 313 4.4.2 Rotational Flow Equations 314 4.4.3 The Linearized Problem 316 4.4.4 Application to Jet-Engine External Potential and Internal Rotational Flow Interaction 318 4.4.5 Calculated Results and Closing Discussion 321 4.4.6 References 325 4.5 Thin Airfoil Theory for Planar Inviscid Shear Flow 326 4.5.1 Introduction 327 4.5.2 Planar Flows with Constant Vorticity 330 4.5.2.1 Planar Flows: Inverse Problems 330 4.5.2.2 Planar Flows: Direct Formulations 331 4.5.2.3 Some Planar Analytical Solutions 332 4.5.2.4 Analogy to Ringwing Potential Flows 333 4.5.2.5 Source and Vortex Interactions for Ringwings 334 4.5.3 Airfoils in General Parallel Shear Flow 335 4.5.4 Numerical Results 339 4.5.5 Closing Remarks 341 4.5.6 References 343 4.5.7 Appendix I, Three-Dimensional Constant Density Flows 344 4.5.8 Appendix II, Planar Compressible Shear Flow of a Gas 345 4.6 Class of Shock-free Airfoils Producing the Same Surface Pressure 348 4.6.1 Introduction 348 4.6.2 Analysis 350 4.6.3 Discussion and Conclusion 351 4.6.4 References 353 4.7 Engine Power Simulation for Transonic Flow-Through Nacelles 355 4.7.1 Introduction 355 4.7.2 Analytical and Numerical Approach 356 4.7.3 Numerical Results and Closing Remarks 357 4.7.4 References 360 4.8 Inviscid Steady Flow Past Turbofan Mixer Nozzles 361 4.8.1 Introduction 361 4.8.2 Analytical Formulation 361 4.8.3 Calculated Results and Closing Remarks 363 4.8.4 References 365 5 Engine and Airframe Integration Methods 366 5.1 Big Picture Revisited 367 5.2 Engine Component Analysis 371 5.3 Engine Power Simulation Using Actuator Disks 374 5.4 Mixers and Supersonic Nozzles 375 5.5 References 377 Cumulative References 379 Index 396 About the Author 408

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Book SynopsisThe perfect primer for anyone responsible for operating or maintaining process gas compressors. Gas compressors tend to be the largest, most costly, and most critical machines employed in chemical and gas transfer processes. Since they tend to have the greatest effect on the reliability of processes they power, compressors typically receive the most scrutiny of all the machinery among the general population of processing equipment. To prevent unwanted compressor failures from occurring, operators must be taught how their equipment should operate and how each installation is different from one another. The ultimate purpose of this book is to teach those who work in process settings more about gas compressors, so they can start up and operate them correctly and monitor their condition with more confidence. Some may regard compressor technology as too broad and complex a topic for operating personnel to fully understand, but the author has distilled this vast body Table of ContentsPreface xv 1 Introduction to Gases 1 1.1 Ideal Gases 4 1.2 Properties of Gases 5 1.3 Temperature 5 1.4 Pressure 6 1.5 Gas Laws 7 1.6 Gas Mixtures 10 1.6.1 Dalton’s Law of Partial Pressures 10 1.7 Molecular Weight of a Gas Mixture 11 1.8 Gas Density 13 1.9 Density of Mixtures 14 1.10 Heat of Compression 15 2 Commonly Used Compressor Flow Terms 19 2.1 Ideal Gas Law 20 2.1.1 Example of How to Convert from SCFM to ACFM 22 2.2 Visualizing Gas Flow 23 2.3 Compressibility Factor (Z) 25 2.4 Sizing Compressors 27 3 Compression Processes 31 3.1 Adiabatic Compression 33 3.2 Polytropic Compression 37 3.2.1 Polytropic Example #1 40 3.2.2 Polytropic Example 2 40 4 What Role the Compression Ratio Plays in Compressor Design and Selection 43 4.1 Compression Ratio versus Discharge Temperature 44 4.2 Design Temperature Margin 46 4.2.1 Design Trade-Offs 49 5 An Introduction to Compressor Operations 53 5.1 Compression Basics 53 5.2 Defining Gas Flow 55 5.3 Compressor Types 56 5.4 Multistaging 59 5.5 Key Reliability Indicators 60 6 Centrifugal Compressors 63 6.1 Centrifugal Compressor Piping Arrangements 66 6.2 Start-Up Configuration 68 6.3 Centrifugal Compressor Horsepower 68 6.4 Troubleshooting Tips 70 6.5 Centrifugal Compressor Start-Ups 71 6.6 Centrifugal Compressor Checklist 72 7 How Process Changes Affect Centrifugal Compressor Performance 75 7.1 Baseball Pitcher Analogy 75 7.2 How Gas Density Affects Horsepower 78 7.3 Theory versus Practice 80 8 How to Read a Centrifugal Compressor Performance Map 83 8.1 The Anatomy of a Compressor Map 85 8.1.1 Flow Axis (See Figures 8.2 and 8.3) 85 8.1.2 Head or Pressure Ratio Axis (See Figures 8.2 and 8.3) 86 8.1.3 Predicted Surge Line (See Figures 8.2 and 8.3) 86 8.1.4 Predicted Capacity Limit (Figures 8.2 and 8.3) 86 8.1.5 Surge Margin (See Figure 8.2) 87 8.1.6 Speed Lines (See Figures 8.2 and 8.3) 88 8.2 Design Conditions 88 9 Keeping Your Centrifugal Compressor Out of Harm’s Way 91 9.1 Compressor Operating Limits 93 9.2 Compressor Flow Limits 93 9.3 Critical Speeds 95 9.4 Horsepower Limits 96 9.5 Temperatures 97 10 Troubleshooting Centrifugal Compressors in Process Services 101 10.1 The Field Troubleshooting Process—Step by Step 105 10.1.1 Step 1: Define the Problem 105 10.1.2 Step 2: Collect All Pertinent Data 105 10.1.3 Step 3: Analyze the Body of Data as a Whole 106 10.1.4 Step 4: Act and Confirm 106 10.2 The “Hourglass” Approach to Troubleshooting 108 10.3 Thinking and Acting Globally 109 10.4 Troubleshooting Matrix and Table 110 10.5 Centrifugal Compressor Troubleshooting Example 110 11 Reciprocating Compressors 117 11.1 Reciprocating Compressor Installations 124 11.1.1 How Process Conditions Affect Reciprocating Compressor Performance 126 11.2 Reciprocating Compressor Start-Ups 128 11.3 Reciprocating Compressor Checklist 129 11.4 Criticality 131 12 Troubleshooting Reciprocating Compressors in Process Services 133 12.1 The Field Troubleshooting Process—Step by Step 137 12.1.1 Step 1: Define the Problem 137 12.1.2 Step 2: Collect All Pertinent Data 137 12.1.3 Step 3: Analyze the Body of Data as a Whole 138 12.1.4 Step 4: Act and Confirm 138 12.1.5 Troubleshooting Matrix and Table 140 12.1.6 Reciprocating Compressor Troubleshooting Example 140 13 Screw Compressors 147 13.1 Oil Injected Screw Compressors 150 13.2 Screw Compressor Modulation 151 13.3 Pressure Pulsation Issues 152 13.3.1 Absorptive Type Dampeners 154 13.3.2 Reactive Type Dampeners 154 13.3.3 Combination Type (Reactive and Absorptive) 154 13.3.4 Oil Contamination 155 13.3.5 How Process Conditions Affect Screw Compressor Performance 156 13.4 Troubleshooting Screw Compressors 156 14 Compressor Start-Up Procedures 159 14.1 Compressor Start-Up Risks 160 14.2 Generic Start-Up Procedure 162 14.3 Centrifugal Compressor Start-Ups 165 14.4 Reciprocating Compressor Start-Ups 167 14.5 Screw Compressor Start-Ups 170 15 Compressor Trains: Drivers, Speed Modifiers, and Driven Machines 173 15.1 Driven Process Machines 174 15.1.1 Drivers 175 15.1.1.1 AC Electric Motors 176 15.1.2 Steam Turbines 177 15.2 Gas Turbines 178 15.2.1 Natural Gas Engines 179 15.2.2 Speed Modifiers 180 15.2.2.1 Gear Boxes 180 15.3 Useful Gearbox Facts 182 15.4 Combination Machines 182 15.4.1 Turboexpanders 182 16 Compressor Components 185 16.1 Bearing Types 185 16.2 Rolling Element Bearings 187 16.3 Plain Bearings 188 16.4 Compressor Bearings 189 16.5 Modeling Fluid Film Bearings 190 16.6 Thrust Loads 192 16.7 Kingsbury Thrust Bearing 193 16.8 Compressor Seals 194 16.8.1 Labyrinth Seals 194 16.8.2 Oil Film Seal 194 16.8.3 Face Contact Wet Seals 196 16.9 Seal Oil System 197 16.10 Dry Gas Seals 197 16.11 Seal Gas Quality and Control 198 16.12 Reciprocating Compressors – Packing 199 17 The Importance of Lubrication 201 17.1 Lubrication Regimes 203 17.2 Lubricating Oils 206 17.3 Compressor Lubricating Oil Systems 206 17.3.1 Lubrication Monitoring 209 17.4 Oil Foaming 210 17.4.1 Excessive Foam 211 18 Inspection Ideas for Operators and Field Personnel 213 18.1 Equipment Field Inspections 213 18.1.1 Audible Inspections 215 18.1.2 Visual Inspections 216 18.1.3 Tactile Inspections 217 18.1.4 Smell 219 18.2 Tools Available to Quantify What You Have Detected 220 18.2.1 Audible Inspection Methods 220 18.2.1.1 Ultrasonic Gun 220 18.2.1.2 Stethoscope 220 18.2.1.3 Metal Rod 220 18.3 Visual Inspection Methods 221 18.3.1 Infrared or IR Gun 221 18.4 IR Camera 222 18.4.1 Strobe Light 223 18.5 Inspection Methods Using Vibration and Temperature Measurement Equipment 224 18.5.1 Vibration Meter with Accelerometer 224 18.5.2 Temperature Measurement Equipment 226 18.6 Generic Monitoring Guidelines 227 19 Addressing Reciprocating Compressor Piping Vibration Problems: Design Ideas, Field Audit Tips, and Proven Solutions 229 19.1 Piping Restraints 232 19.2 Pipe Clamping Systems 233 19.3 Guidelines 233 19.4 Piping Assessment Steps 235 19.4.1 First, Perform the Following Pre-Field Analysis Steps 235 19.4.2 Next 235 19.4.3 Problem Locations 236 19.5 Attaching Pipe Clamps to Structural Members 237 19.5.1 Installation Examples 240 19.5.2 Here Are a Few More Pipe Clamp Tips 240 20 Collecting and Assessing Piping Vibration 243 20.1 Piping Analysis Steps 245 20.2 Piping Vibration Examples 246 Appendix A: Practice Problems Related to Chapters 1 Through 4 Topics 249 Appendix B: Glossary of Compressor Technology Terms 261 Index 273

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Book SynopsisPlastics & Sustainability clearly lays out the thorny and contentious issues that we encounter at the nexus of plastics and sustainability. The book serves as a practical guide for making sustainability decisions about how plastics are made and used, including current developments in the newest bio-based plastics. Designers, marketers, academics, and engineers will all find something of value in this balanced and thoughtful second edition. Increased public scrutiny of plastics materials and the plastics industry has led, paradoxically, to both a deeper understanding and growing confusion about polymers, their origins, their uses, their risks, and ultimately their disposal. The author makes objective comparisons among major polymer grades and bioplastics including their life cycle assessments and practical performance in commercial applications.Table of ContentsAcknowledgements xi Notes on the 2nd Edition xiii Preface xv 1 General Introduction 1 1.1 The Contradictions of Plastics 3 1.2 Plastics and the Consumer Lifestyle 4 1.3 Plastics Controversies 7 1.3.1 PVC and Phthalate Plasticizers 9 1.3.2 Plastic Shopping Bags 10 1.3.3 Health Effects of BPA (Bisphenol-A) 13 1.4 The Desire to be Green 15 1.4.1 Consumer Interest in Sustainability 15 1.4.2 Sustainability: Views and Counterviews 18 1.5 The Course of This Book 24 References 26 2 Plastic Life Cycles 29 2.1 Green Principles 30 2.2 Life Cycle Assessment (LCA) 34 2.2.1 Life Cycle Inventory (LCI) 36 2.2.2 LCA: Controversies and Limitations 37 2.2.3 LCA/LCI: Plastics-Related Examples 40 2.2.3.1 PET and HDPE 40 2.2.3.2 Bio/Fossil-Fuel Polymer Comparison 41 2.3 Plastic Lifetimes 42 2.3.1 The “Cradle”: Polymer Feedstocks and Production 42 2.3.1.1 Fossil-Fuel Feedstock Sources 43 2.3.1.2 Bio-Based Feedstock Sources 44 2.3.2 “Gate-to-Gate”: General Plastics Use-Life Impacts 46 2.3.3 The “Grave”: Disposal, Recycling, and Biodegradability 48 2.3.3.1 “Permanent” Disposal? 48 2.3.3.2 Biodegradable Plastics 49 2.3.3.3 Recycling 51 2.3.3.4 Limitations and Challenges 56 2.4 A Hierarchy of Plastics for Sustainability 62 References 63 3 Polymer Properties and Environmental Footprints 67 3.1 Background on Polymers and Plastics 68 3.1.1 Green Chemistry Principles 70 3.2 Common Commodity Thermoplastics 74 3.2.1 Polyethylene (PE) 74 3.2.1.1 Synthesis 74 3.2.1.2 Structure and Properties 77 3.2.1.3 End-of-Life 77 3.2.2 Polypropylene (PP) 79 3.2.2.1 Synthesis 79 3.2.2.2 Structure and Properties 80 3.2.2.3 End-of-Life 80 3.2.3 Polyvinyl Chloride (PVC, or “Vinyl”) 81 3.2.3.1 Synthesis 82 3.2.3.2 End-of-Life 85 3.2.4 Polystyrene (PS) 85 3.2.4.1 Synthesis 85 3.2.4.2 End-of-Life 86 3.2.5 Polyethylene Terephthalate (PET) and Related Polyesters 87 3.2.5.1 Synthesis 87 3.2.5.2 End-of-Life 89 3.3 Traditional Engineering Thermoplastics 90 3.3.1 Nylon or Polyamide (PA) 90 3.3.1.1 Synthesis 90 3.3.1.2 End-of-Life 91 3.3.2 Acrylonitrile-Butadiene-Styrene (ABS) 92 3.3.2.1 Synthesis 92 3.3.2.2 End-of-Life 93 3.3.3 Polycarbonate (PC) 93 3.3.3.1 Synthesis 93 3.3.3.2 End-of-Life 94 3.4 Traditional Thermosets and Conventional Composites 94 3.4.1 Unreinforced Thermosets 95 3.4.1.1 Synthesis 95 3.4.1.2 End-of-Life 96 3.4.2 Conventional Composites 97 3.4.2.1 Production 97 3.4.2.2 End-of-Life 97 3.5 Biopolymers: Polymers of Biological Origin 98 3.5.1 Polylactic Acid (PLA) 101 3.5.1.1 Synthesis 101 3.5.1.2 Structures and Properties 103 3.5.1.3 End-of-Life 104 3.5.2 Polyhydroxyalkanoates (PHAs): PHB and Related Copolymers 105 3.5.2.1 Synthesis 106 3.5.2.2 End-of-Life 107 3.5.3 Starch-Based Polymers 108 3.5.3.1 Synthesis 108 3.5.3.2 End-of-Life 108 3.5.4 Protein-Based Polymers 108 3.5.4.1 Synthesis 109 3.5.4.2 End-of-Life 109 3.5.5 Algae-Based Polymers 109 3.5.5.1 Synthesis 109 3.5.5.2 End-of-Life 110 3.5.6 Blends of Biopolymers 110 3.6 Additives and Fillers: Conventional and Bio-Based 111 3.6.1 Common Additives 111 3.6.2 Fillers 113 3.6.3 Fiber Reinforcement 114 3.6.3.1 Glass and Carbon Fiber 114 3.6.3.2 Natural Fiber Reinforcement 115 3.6.4 Nanocomposites 119 3.7 Concluding Summary 119 References 120 4 Applications: Demonstrations of Plastics Sustainability 127 4.1 Trends in Sustainable Plastics Applications 130 4.2 Sustainable Plastics Packaging 131 4.2.1 Plastic Bags and Containers 134 4.2.2 Bio-Based Plastic Packaging 136 4.2.3 “Greener” Foam Packaging 139 4.2.4 Key Points 140 4.3 Sustainable Plastics in Building and Construction 141 4.3.1 Recycled/Recyclable Construction Applications 143 4.3.2 Wood-Plastic Composites 144 4.3.3 Key Points 145 4.4 Automotive Plastics and Sustainability 146 4.4.1 Fuel-Saving Contributions of Plastics 146 4.4.2 Recycling and Automotive Plastics 147 4.4.3 Bioplastics in the Automotive Industry 149 4.4.4 Key Points 150 4.5 Specialized Applications and Plastics Sustainability 151 4.5.1 Electrical/Electronics Applications 151 4.5.2 Medical Plastics and Packaging 152 4.5.3 Agricultural Applications 154 4.6 Conclusions about Sustainable Plastics Applications 155 References 156 5 Design Guidelines for Sustainability 159 5.1 Green Design Principles 161 5.1.1 Minimize Material Content 163 5.1.2 Exploit a Material’s Full Value 164 5.1.3 Fulfill Durability Requirements 166 5.1.4 Minimize Non-Functional Features 168 5.1.5 Focus on Single-Material Designs 168 5.1.6 Incorporate Renewable Content 171 5.2 Consumer Preferences in Green Design 172 References 173 6 Sustainable Considerations in Material Selection 175 6.1 Examples: Plastics vs. Metals and Glass 178 6.2 High Volume Plastics Applications 180 6.2.1 Beverage Bottles: PET vs. rPET vs. Bio-PET 180 6.2.2 Thermoformed and Flexible Packaging 183 6.2.3 Housewares and Food Service Tableware 186 6.3 Bio-Based Plastic Selection 188 6.3.1 Bio-Based Resins: PLA, PHA, TPS, PE 188 6.3.2 Natural Fiber Plastics Reinforcement 193 6.3.3 Engineering (Bio)polymers 196 6.4 The Selection Process: A Visual Approach 198 References 202 7 Processing: Increasing Efficiency in the Use of Energy and Materials 205 7.1 Optimizing Resin Recycling 206 7.1.1 Reprocessing Scrap and Post-Industrial Material 206 7.1.2 Recycling Post-Consumer Plastic 208 7.1.2.1 The Recycled Resin Challenge 212 7.1.3 Advanced Recycling 213 7.1.3.1 Dissolution (“Advanced Physical Recycling”) 213 7.1.3.2 Depolymerization (“Chemical or Molecular Recycling”) 214 7.1.3.3 Gasification/Pyrolysis (“Chemical or Feedstock Recovery”) 215 7.2 Optimizing Plastics Processes for Sustainability 216 7.2.1 Optimizing Water Use 216 7.2.2 Optimizing Energy Consumption 218 7.2.2.1 Refurbishing Equipment for Energy Savings 219 7.2.3 Choosing New Machinery for Sustainability 221 7.2.4 Sourcing Options for “Green” Energy 222 References 223 8 Conclusion: Grey is the New Green 225 8.1 Trends Affecting Future Global Plastics Use 226 8.1.1 Consumer Needs and Market Growth 227 8.1.2 Fossil Fuel Availability and Price 229 8.1.3 Alternative Feedstock Trends 232 8.1.4 Industry Priorities for Sustainability 233 8.1.5 Plastic Bans and Controversies 235 8.1.5.1 Bag Bans 235 8.1.5.2 Post-Consumer Plastic Recycling 236 8.2 Future Progress in Promoting Plastics Sustainability 238 8.2.1 Improved Partnerships 238 8.2.1.1 Increasing Recycling Rates 239 8.2.1.2 Plastic Litter: Minimizing the Damage 240 8.2.1.3 Educating the Public about Plastics and Sustainability 241 8.2.1.4 Implementing Bio-Based Materials 245 8.2.1.5 Improving the Life-Cycle Impact of Plastics 246 8.2.1.6 Sustainability in the Product Development Process 246 8.2.1.7 Effective Government Regulation 248 8.2.2 New Sustainability-Enhancing Approaches 248 8.2.2.1 Energy-Efficient Transportation 249 8.2.2.2 Flexible Solar-Energy Systems 250 8.2.3 New Research & Development 251 References 252 Index 255

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Book SynopsisDescribes harmful elements and their bioremediation techniques for tannery waste, oil spills, wastewater, greenhouse gases, plastic and other wastes. Microenvironmental conditions in soil provide a natural niche for ultra-structures, microbes and microenvironments. The natural biodiversity of these microenvironments is being disturbed by industrialization and the proliferation of urban centers, and synthetic contaminants found in these micro-places are causing stress and instability in the biochemical systems of microbes. The development of new metabolic pathways from intrinsic metabolic cycles facilitate microbial degradation of diverse resistant synthetic compounds present in soil. These are a vital, competent and cost-effective substitute to conventional treatments. Highly developed techniques for bioremediation of these synthetic compounds are increasing and these techniques facilitate the development of a safe environment using renewable biomaterial for removal of toxic heavy mTable of ContentsPreface xvii Part 1: Soil Microenvironment and Biotransformation Mechanisms 1 1 Applications of Microorganisms in Agriculture for Nutrients Availability 3 Fehmida Fasim and Bushra Uziar 1.1 Introduction 3 1.1.1 Land and Soil Deterioration 4 1.1.2 Micro-Nutrients Lacks 4 1.2 Biofertilizers 4 1.3 Rhizosphere 5 1.4 Plant Growth Promoting Bacteria 5 1.4.1 Nitrogen Fixation 6 1.4.2 Phosphate Solubilization 8 1.5 Microbial Mechanisms of Phosphate Solubilization 9 1.5.1 Organic Phosphate 9 1.5.2 Organic Phosphate Solubilization 10 1.6 Bacterial and Fungi Coinoculation 11 1.7 Conclusion 11 References 12 2 Native Soil Bacteria: Potential Agent for Bioremediation 17 Ranjan Kumar Mohapatra, Haragobinda Srichandan, Snehasish Mishra and Pankaj Kumar Parhi 2.1 Introduction 17 2.2 Current Soil Pollution Scenario 19 2.2.1 Soil Pollution by Heavy Metals and Xenobiotic Compounds 19 2.2.2 Soil Pollution by Extensive Agricultural and Animal Husbandry Practices 20 2.2.3 Pollution Due to Emerging Pollutants (Wastes from Pharmaceutical and Personal-Care Products) 21 2.2.4 Soil Pollution by Pathogenic Microorganisms 22 2.2.5 Soil Pollution Due to Oil and Petroleum Hydrocarbons 23 2.2.6 Soil Pollution by the Nuclear and Radioactive Wastes 25 2.2.7 Soil Pollution by Military Activities and Warfare 26 2.3 Effects of Soil Pollution 26 2.3.1 Effects of Soil Pollution on Plants 26 2.3.2 Effects of Soil Pollution on Human Health 26 2.4 Diversity of Soil Bacteria from Contaminated Sites 27 2.5 Bioremediation of Toxic Pollutants 27 2.6 Bioremediation Mechanisms 27 2.7 Factors Affecting Bioremediation/Biosorption Process 29 2.8 Microbial Bioremediation Approaches 30 2.8.1 In Situ Bioremediation 30 2.8.2 Ex Situ Bioremediation 30 2.9 Conclusion and Future Prospective 30 Acknowledgements 30 References 31 3 Bacterial Mediated Remediation: A Strategy to Combat Pesticide Residues In Agricultural Soil 35 Atia Iqbal 3.1 Introduction 35 3.2 Effects of Pesticides 36 3.3 Pesticide Degradation 37 3.4 Bacterial Mediated Biodegradation of Various Pesticides 38 3.4.1 Organophosphate Pesticides Degrading Bacteria 38 3.4.2 Methyl Parathion Mineralizing Bacteria (MP) 39 3.4.3 Mesotrione Degrading Bacteria 39 3.4.4 Aromatic Hydrocarbons Biodegradation 39 3.4.5 Bispyribac Sodium (BS) Degrading Bacteria 40 3.4.6 Carbamates (CRBs) Degradation 40 3.4.7 Propanil Degradation 40 3.4.8 Atrazine Degradation 40 3.4.9 Phenanthrene Degradation 40 3.4.10 Imidacloprid Degradation 41 3.4.11 Endusulfan Degradation 41 3.4.12 DDT 42 3.5 Conclusion 42 References 49 4 Study of Plant Microbial Interaction in Formation of Cheese Production: A Vegan’s Delight 55 Sundaresan Bhavaniramya, Ramar Vanajothi, Selvaraju Vishnupriya and Dharmar Baskaran 4.1 Introduction 55 4.2 Cheese Concern – Vegan’s Delight 57 4.3 Microorganism Interaction Pattern 57 4.4 Types of Microorganism Involved in Cheese Production 57 4.5 Lactic Acid Role in Fermentation 59 4.6 Microorganism Involved in Lactic Acid Fermentation 59 4.7 Streptococcus 60 4.8 Propionibacterium 60 4.9 Leuconostoc 60 4.10 Microorganisms in Flavor Development 61 4.11 Flavor Production 63 4.12 Enzymes Interaction during Ripening of Cheese 63 4.13 Pathways Involved in Cheese Ripening 64 4.14 Microbes of Interest in Flavor Formation 66 4.15 Structure of Flavored Compound in Cheese 67 4.16 Plant-Based Cheese Analogues 67 4.17 Plant-Based Proteins 68 4.18 Aspartic Protease 69 4.19 Cysteine Protease 69 4.20 Plant-Based Milk Alternatives 69 4.21 Types of Vegan Cheese 70 4.22 Future Scope and Conclusion 71 Acknowledgment 71 References 71 5 Microbial Remediation of Pesticide Polluted Soils 75 César Quintela and Cristiano Varrone 5.1 Introduction 75 5.2 Types of Pesticides 77 5.3 Fate of Pesticides in the Environment 81 5.3.1 Factors Affecting Pesticide Fate 81 5.3.2 Pesticides Degradation 84 5.3.3 Pesticide Remediation 85 5.4 Screening for Pesticide Degrading Microorganisms 85 5.4.1 Case Study 86 5.5 Designing Pesticide Degrading Consortia 87 5.5.1 Case Study 88 5.6 Challenges to be Addressed and Future Perspectives 88 References 90 6 Eco-Friendly and Economical Method for Detoxification of Pesticides by Microbes 95 Anjani Kumar Upadhyay, Abhik Mojumdar, Vishakha Raina and Lopamudra Ray 6.1 Introduction 95 6.2 Classification of Pesticides 96 6.3 Fate of Pesticide in Soil 96 6.3.1 Transport of Pesticides in the Environment 96 6.3.2 Interaction of Pesticides with Soil 98 6.4 Microbial and Phytoremediation of Pesticides 99 6.4.1 Biodegradation and Bioremediation 99 6.4.2 Microbial Remediation of Pesticides 102 6.4.3 Phytoremediation of Pesticides 103 6.4.4 Strategies to Enhance the Efficiency of Bioremediation 103 6.4.5 Metabolic Aspects of Pesticides Bioremediation 105 6.5 Effects on Human and Environment 106 6.6 Advancement in Pesticide Bioremediation 107 6.7 Limitations of Bioremediation 107 6.8 Future Perspectives 108 Acknowledgement 108 References 108 Part 2: Synergistic Effects Between Substrates and Microbes 115 7 Bioleaching: A Bioremediation Process to Treat Hazardous Wastes 117 Haragobinda Srichandan, Ranjan K. Mohapatra, Pankaj K. Parhi and Snehasish Mishra 7.1 Introduction 117 7.2 Microbes in Bioleaching 118 7.2.1 Bacteria 118 7.2.2 Fungi 119 7.3 Acidophilic Bioleaching 119 7.3.1 Contact (Direct) Mechanism 119 7.3.2 Non-Contact (Indirect) Mechanism 120 7.4 Metal Removal Pathways 120 7.4.1 Thiosulphate Pathway 120 7.4.2 Polysulphide Pathway 121 7.5 Fungal Bioleaching 122 7.6 Various Hazardous Wastes 122 7.6.1 Electronic Wastes (E-Wastes) 123 7.6.2 Spent Petroleum Catalyst 123 7.6.3 Sludge 123 7.6.4 Slag 123 7.7 Applications of Bioleaching Approach to Various Hazardous Wastes 123 7.7.1 Bioleaching of Electronic Wastes 124 7.7.2 Bioleaching of Spent Catalyst 124 7.7.3 Bioleaching of Sludge (Containing Heavy or Toxic metals) 125 7.7.4 Bioleaching of Slag 125 7.8 Conclusion 126 Acknowledgements 126 References 126 8 Microbial Bioremediation of Azo Dyes in Textile Industry Effluent: A Review on Bioreactor-Based Studies 131 Shweta Agrawal, Devayani Tipre and Shailesh Dave 8.1 Introduction 131 8.2 Microorganism Involved in Dye Bioremediation 132 8.2.1 Bacterial Remediation of Dyes 132 8.2.2 Mycoremediation 135 8.2.3 Phycoremediation 135 8.2.4 Consortial (Co-Culture) Dye Bioremediation 135 8.3 Mechanism of Dye Biodegradation 139 8.3.1 Anaerobic Azo Dye Reduction 139 8.3.2 Aerobic Oxidation of Aromatic Amines 140 8.3.3 Combined Anaerobic-Aerobic Treatment of Azo Dyes 141 8.4 Reactor Design for Dye Bioremediation 141 8.4.1 Anaerobic Reactors 142 8.4.2 Aerobic Reactors 154 8.4.3 Combined (Integrated/Sequential) Bioreactor 157 8.4.4 Combinatorial Approaches 162 8.5 Limitations and Future Prospects 163 8.6 Conclusions 163 References 164 9 Antibiofilm Property of Biosurfactant Produced by Nesterenkonia sp. MCCB 225 Against Shrimp Pathogen, Vibrio harveyi 173 Gopalakrishnan Menon, Issac Sarojini Bright Singh, Prasannan Geetha Preena and Sumitra Datta 9.1 Introduction 173 9.2 Materials and Methods 174 9.2.1 Isolation, Screening and Identification of Bacteria 174 9.2.2 Biofilm Disruption Studies 175 9.3 Results and Discussion 175 9.3.1 Bacterial Identification 175 9.3.2 Biofilm Disruption Studies 175 9.4 Conclusion 178 Acknowledgements 178 References 178 10 Role of Cr (VI) Resistant Bacillus megaterium in Phytoremediation 181 Rabia Faryad Khan and Rida Batool 10.1 Introduction 181 10.2 Materials and Methods 183 10.2.1 Isolation and Characterization of Chromate Resistant Bacteria 183 10.2.2 Determination of MIC (Minimum Inhibitory Concentration) of Chromate 183 10.2.3 Ribo-Typing of Bacterial Isolate rCrI 183 10.2.4 Estimation of Chromate Reduction Potential 183 10.2.5 Antibiotic and Heavy Metal Resistance Profiling 183 10.2.6 Growth Curve Studies 184 10.2.7 Chromium Uptake Estimation 185 10.2.8 Statistical Analysis 185 10.3 Results 185 10.3.1 Isolation and Characterization of Cr(VI) Resistant Bacterial Isolates 185 10.3.2 Antibiotic and Heavy Metal Resistance Profiling 186 10.3.3 Estimation of Cr(VI) Reduction Potential 186 10.3.4 Ribo-Typing of Bacterial Isolate 186 10.3.5 Growth Curve Studies 186 10.3.6 Plant Microbe Interaction Studies Under Laboratory Conditions 187 10.3.7 Biochemical Parameters 188 10.3.8 Plant Microbe Interaction Studies Under Field Conditions 190 10.3.8.4 Number of Roots 190 10.3.9 Biochemical Parameters 190 10.4 Discussion 191 10.5 Conclusion 193 Acknowledgment 193 References 193 11 Conjugate Magnetic Nanoparticles and Microbial Remediation, a Genuine Technology to Remediate Radioactive Waste 197 Bushra Uzair, Anum Shaukat, Fehmida Fasim, Sadaf Maqbool 11.1 Introduction 197 11.2 Use of Magnetic Nanoparticles Conjugates 199 11.2.1 Potential Benefits 199 11.2.2 Synthesis and Application 200 11.2.3 Factors Affecting Sorption 200 11.2.4 Limitations 203 11.3 Microbial Communities 203 11.3.1 Fungi as Radio-Nuclides Remade 203 11.3.2 Immobilization of Radionuclide Through Enzymatic Reduction 204 11.3.3 Immobilization Through Non-Enzymatic Reduction 204 11.3.4 Bio-Sorption of Radio-Nuclides 205 11.3.5 Biostimulation 206 11.3.6 Genetically Modified Microbes 206 11.3.7 Constraints 207 11.4 Conclusion 207 References 208 Part 3: Polyhydroxyalakanoates: Resources, Demands and Sustainability 213 12 Microbial Degradation of Plastics: New Plastic Degraders, Mixed Cultures and Engineering Strategies 215 Samantha Jenkins, Alba Martínez i Quer, César Fonseca and Cristiano Varrone 12.1 Introduction 215 12.2 Plastics 216 12.2.1 Polyethylene Terephthalate (PET) 217 12.2.2 Low-Density Polyethylene (LDPE) 217 12.3 Plastic Disposal, Reuse and Recycling 218 12.4 Plastic Biodegradation 219 12.4.1 Plastic-Degrading Microorganisms and Enzymes 221 12.4.2 Biofilms and Plastic Biodegradation 224 12.4.3 Boosting Plastic Biodegradation by Physical and Chemical Processes 225 12.4.4 Pathway and Protein Engineering for Enhanced Plastic Biodegradation 226 12.4.5 Designing Plastic Degrading Consortia 229 12.5 Analytical Techniques to Study Plastic Degradation 230 12.6 Future Perspectives 232 References 233 13 Fatty acids as Novel Building-Blocks for Biomaterial Synthesis 239 Prasun Kumar 13.1 Introduction 239 13.2 Polyurethane (PUs) 241 13.3 Polyhydroxyalkanoates (PHAs) 243 13.4 Other Functional Attributes 246 13.4.1 Biosurfactants 246 13.4.2 Antibacterials and Biocontrol Agents 246 13.5 Future Perspectives 249 References 249 14 Polyhydroxyalkanoates: Resources, Demands and Sustainability 253 Binita Bhattacharyya, Himadri Tanaya Behera, Abhik Mojumdar, Vishakha Raina and Lopamudra Ray 14.1 Introduction 253 14.2 Polyhydroxyalkanoates 255 14.2.1 Properties of PHAs 258 14.2.2 Production of PHA 261 14.2.3 PHA Biosynthesis in Natural Isolates 261 14.2.4 Production of PHA by Digestion of Biological Wastes 262 14.2.5 PHA Production by Recombinant Bacteria 262 14..2.6 Production of PHA by Genetically Engineered Plants 264 14.2.7 PHA Production by Methylotrophs 264 14.2.8 PHA Production Using Waste Vegetable Oil by Pseudomonas sp. Strain DR2 264 14.2.9 Mass Production of PHA 265 14.3 Applications of PHA 266 14.4 Future Prospects 267 References 267 15 Polyhydroxyalkanoates Synthesis by Bacillus aryabhattai C48 Isolated from Cassava Dumpsites in South-Western, Nigeria 271 Fadipe Temitope O., Nazia Jamil and Lawal Adekunle K. 15.1 Introduction 271 15.2 Materials and Methods 272 15.2.1 Morphological, Biochemical and Molecular Characterisation 272 15.2.2 Detection of PHA Production 273 15.2.3 Evaluation of PHA Production 273 15.2.4 Extraction of PHA 273 15.2.5 Fourier Transform Infrared Spectroscopy of Extracted PHA 274 15.2.6 Amplification of PhaC and PhaR Genes of Bacillus aryabhattai C48 274 15.3 Results and Discussion 274 15.4 Conclusion 280 Acknowledgements 280 References 280 Part 4: Cellulose-Based Biomaterials: Benefits and Challenges 283 16 Cellulose Nanocrystals-Based Composites 285 Teboho Clement Mokhena, Maya Jacob John, Mokgaotsa Jonas Mochane, Asanda Mtibe, Teboho Simon Motsoeneng, Thabang Hendrica Mokhothu and Cyrus Alushavhiwi Tshifularo 16.1 Introduction 285 16.2 Classification of Polymers 286 16.3 Preparation of Cellulose Nanocrystals Composites 286 16.3.1 Solution Casting 287 16.3.2 Three Dimensional Printing (3D-Printing) 292 16.3.3 Electrospinning 294 16.3.4 Other Processing Techniques 294 16.4 Cellulose Nanocrystals Reinforced Biopolymers 294 16.4.1 Starch 294 16.4.2 Alginate 295 16.4.3 Chitosan 296 16.4.4 Cellulose 297 16.4.5 Other Biopolymers 298 16.5 Hybrids 298 16.6 Conclusion and Future Trends 300 Acknowledgements 300 References 300 17 Progress on Production of Cellulose from Bacteria 307 Tladi Gideon Mofokeng, Mokgaotsa Jonas Mochane, Vincent Ojijo, Suprakas Sinha Ray and Teboho Clement Mokhena 17.1 Introduction 307 17.2 Production of Microbial Cellulose (MC) 308 17.3 Applications of Microbial Cellulose (MC) 312 17.3.1 Skin Therapy and Wound Healing System 313 17.3.2 Scaffolds for Artificial Cornea 314 17.3.3 Cardiovascular Implants 315 Future Perspective 315 References 316 18 Recent Developments of Cellulose-Based Biomaterials 319 Asanda Mtibe, Teboho Clement Mokhena, Thabang Hendrica Mokhothu and Mokgaotsa Jonas Mochane 18.1 Introduction 319 18.2 Extraction of Cellulose Fibers 320 18.3 Nanocellulose 324 18.4 Surface Modification 327 18.4.1 Alkali Treatment (Mercerization) 327 18.4.2 Silane Treatment 328 18.4.3 Acetylation 328 18.5 Cellulose-Based Biomaterials 329 18.5.1 Cellulose-Based Biomaterials for Tissue Engineering 329 18.5.2 Cellulose-Based Biomaterials for Drug Delivery 331 18.5.3 Cellulose-Based Biomaterials for Wound Dressing 332 18.6 Summary and Future Prospect of Cellulose-Based Biomaterials 333 Reference 334 19 Insights of Bacterial Cellulose: Bio and Nano-Polymer Composites Towards Industrial Application 339 Vishnupriya Selvaraju, Bhavaniramya Sundaresan, Baskaran Dharmar 19.1 Introduction 339 19.1.1 Nanocellulose 340 19.2 Bacterial Cellulose 343 19.2.1 Bacterial Strains Producing Cellulose 343 19.2.2 Different Methods of Bacterial Cellulose Production 344 19.3 Nanocomposites 346 19.3.1 Bio-Nanocomposite-Based on CNF 346 19.3.2 Bio-Nanocomposite-Based on CNC 346 19.3.3 Bacterial Cellulose Nanocomposites 346 19.4 Methods of Synthesis of Bacterial Cellulose Composites 347 19.5 Combination of Bacterial Cellulose with Other Materials 349 19.5.1 Polymer 349 19.5.2 Metals and Solid Materials 350 19.6 Industrial Applications of Bacterial Cellulose Composites 350 19.6.1 Biomedical Applications 350 19.6.2 Food Application 351 19.6.3 Electrical Industry 351 19.7 Future Scope and Conclusion 352 Acknowledgement 352 References 352 20 Biodegradable Polymers Reinforced with Lignin and Lignocellulosic Materials 357 M.A. Sibeko, V.C. Agbakoba, T.C. Mokhena, P.S. Hlangothi 20.1 Introduction 357 20.2 Biodegradable Polymers 358 20.2.1 Natural Polymers 359 20.2.2 Biodegradable Polyesters 360 20.2.3 Biodegradation 362 20.3 Biodegradable Fillers 362 20.3.1 Plant Fibers as Biodegradable Fillers 363 20.3.2 Cellulose as Biodegradable Fillers 364 20.3.3 Lignin as Biodegradable Fillers 364 20.4 Properties of Different Biopolymers Reinforced with Lignin 365 20.4.1 Surface Morphology 365 20.4.2 Mechanical Properties 366 20.4.3 Thermal Properties 368 20.5 Applications of Bio-Nanocomposites 369 Concluding Remarks 369 Acknowledgements 370 References 370 21 Structure and Properties of Lignin-Based Biopolymers in Polymer Production 375 Teboho Simon Motsoeneng, Mokgaotsa Jonas Mochane, Teboho Clement Mokhena and Maya Jacob John 21.1 Introduction 375 21.2 An Insight on the Biopolymers 376 21.2.1 Natural Lignin Biopolymer 377 21.2.2 Drawbacks of Lignin Biopolymer 378 21.3 Extraction and Post-Treatment of Lignin Biomaterial 378 21.3.1 Extraction Methods and their Effect on the Recovery and Functionality 379 21.3.2 Modification of Lignin Functional Groups 381 21.3.3 Preparation of Lignin-Based Biopolymers Blends (LBBs) 383 21.4 Characterization Methods and Validation of Lignin-Biopolymers 386 21.4.1 Chemical Interaction Between Lignin and Synthetic Polymers 386 21.4.2 Morphology-Property Relationship of the LBB 387 21.5 Indispensability of LBB on the Chemical Release Control in the Environment 388 21.6 Conclusion and Future Remarks 388 References 389 Index 393

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Book SynopsisPolyvinyl Alcohol-Based Biocomposites and Bionanocomposites Serves as a one-stop reference resource for important research accomplishments in the area of polyvinyl alcohol-based biocomposites and bionanocomposites. Many recent research accomplishments in the area of polyvinyl alcohol (PVA)-based biocomposites and bionanocomposites are summarized in this book. In it, the editors discuss as many topics as possible on the most recent state-of-the-art developments regarding these biocomposites and bionanocomposites, the challenges faced when using them, and their future prospects. In addition to providing a biodegradation study of them, their significance and applications are also discussed, along with practical steps toward their commercialization. Moreover, PVA/cellulose-based and PVA/starch-based biocomposites and bionanocomposites are discussed, along with the biomedical applications of PVA-based composites and nanocomposites, and PVA-based hybrid interpolymeric comTable of ContentsPreface xi 1 Polyvinyl Alcohol-Based Biocomposites and Bionanocomposites: State-of-the-Art, New Challenges and Opportunities 1Visakh P. M. 1.1 Biodegradation Study of Polyvinyl Alcohol-Based Biocomposites and Bionanocomposites 1 1.2 Polyvinyl Alcohol-Based Biocomposites and Bionanocomposites: Significance and Applications, Practical Step Toward Commercialization 4 1.3 Polyvinyl Alcohol/Cellulose-Based Biocomposites and Bionanocomposites 7 1.4 Polyvinyl Alcohol/Starch-Based Biocomposites and Bionanocomposites 9 1.5 Polyvinyl Alcohol/Polylactic Acid–Based Biocomposites and Bionanocomposites 11 1.6 Biomedical Applications of Polyvinyl Alcohol‑Based Bionanocomposites 13 1.7 Hybrid Interpolymeric Complexes 16 References 18 2 Biodegradation Study of Polyvinyl Alcohol-Based Biocomposites and Bionanocomposites 31Zahid Majeed, Muhammad Mubashir, Pau Loke Show and Eefa Manzoor 2.1 Introduction 32 2.2 Biodegradable PVA Biocomposites and Bionanocomposites 38 2.2.1 PVA/Cellulose-Based Biocomposites and Bionanocomposites 39 2.2.2 PVA/Chitin-Based Biocomposites and Bionanocomposites 40 2.3 PVA/Starch-Based Biocomposites and Bionanocomposites 42 2.4 PVA/Hemicellulose-Based Biocomposites and Bionanocomposites 45 2.5 PVA/Polylactic Acid-Based Biocomposites and Bionanocomposites 48 2.6 PVA/Polyhydroxyalkanoates-Based Biocomposites and Bionanocomposites 49 2.7 Conclusion 51 References 52 3 Polyvinyl Alcohol-Based Bionanocomposites: Significance and Applications, Practical Step Towards Commercialization 59S. Mohanapriya 3.1 Introduction: Polyvinyl Alcohol (PVA) 60 3.2 Properties of PVA 61 3.3 PVA Composites and Nancomposites 61 3.3.1 Fabrication of PVA-Based Composites and Bionanocomposites 64 3.4 Categorization and Advantages of PVA Composites 65 3.5 Issues Associated with PVA-Based Composites/Nanocomposites 66 3.6 Diverse Applications of PVA-Based Composites/Nanocomposites 66 3.6.1 Biomedical Applications 66 3.6.1.1 Wound Dressing Material 68 3.6.2 Cartilage and Orthopedic Applications 68 3.6.3 Electrochemical Applications 69 3.6.4 Optical and Photonic Applications 71 3.6.5 Renewable Energy Source-Based Applications 71 3.6.6 Food Packaging Applications 74 3.7 PVA Composites/Nanocomposites: Future Outlook 76 References 76 4 Polyvinyl Alcohol/Cellulose-Based Biocomposites and Bionanocomposites 81Nor Asikin Awang, Mohamad Azuwa Mohamed and Wan Norharyati Wan Salleh 4.1 Introduction 82 4.2 Polyvinyl Alcohol/Cellulose-Based Biocomposites and Bionanocomposites and Their Preparation 84 4.2.1 Polyvinyl Alcohol/Cellulose Fibers 84 4.2.2 Polyvinyl Alcohol/Cellulose Acetate 86 4.2.3 Polyvinyl Alcohol/Bacterial Cellulose 87 4.2.4 Polyvinyl Alcohol/Regenerated Cellulose 90 4.2.5 Polyvinyl Alcohol/Cellulose Aerogel or Hydrogel 92 4.2.6 Polyvinyl Alcohol/Cellulose Nanocrystals 94 4.2.7 Polyvinyl Alcohol/Cellulose Nanofiber 96 4.3 Properties and Characterizations Techniques 98 4.3.1 Tensile Characterizations 98 4.3.2 Thermal Characterizations 99 4.3.3 X-Ray Diffraction 100 4.3.4 Morphological Characterizations 101 4.3.5 Rheological and Viscoelastic Characterizations 104 4.4 Potential Applications 108 4.4.1 Biomedical Applications 108 4.4.2 Packaging Applications 110 4.4.3 Heavy Metal Applications 113 4.4.4 Gas Separation 114 4.5 Conclusion 116 References 116 5 Polyvinyl Alcohol/Starch-Based Biocomposites and Bionanocomposites 131Nor Fasihah Binti Zaaba and Hanafi Bin Ismail 5.1 Introduction 131 5.2 Polyvinyl Alcohol/Starch-Based Biocomposites and Bionanocomposites 132 5.3 Preparation 134 5.4 Characterizations 135 5.4.1 Mechanical Properties 135 5.4.2 Fourier Transform Infrared (FTIR) Spectroscopy 137 5.4.3 Differential Scanning Calorimetry 138 5.4.4 Thermogravimetric Analysis 141 5.5 Applications 143 5.6 Conclusion 143 References 144 6 Polyvinyl Alcohol/Polylactic Acid-Based Biocomposites and Bionanocomposites 151Ashitha Jose and Radhakrishnan E.K. 6.1 Introduction 152 6.2 PVA Composites and Bionanocomposites 153 6.3 Poly Lactic Acid (PLA) Composites and Bionanocomposites 155 6.4 The Role of Plasticizers and Fillers in Composite Development 157 6.5 Methods Employed in the Development of Structured Polymers 158 6.5.1 Melt Compounding 158 6.5.2 Solvent-Based Methods 158 6.5.3 Electrospinning 158 6.5.3.1 Melt Electrospinning 159 6.5.3.2 Near Field Electrospinning (NFES) 160 6.5.3.3 Electrohydrodynamic (EHD) 160 6.5.3.4 Coelectrospinning 161 6.6 Techniques for Analyzing the Biocomposites and Bionanocomposites 162 6.6.1 FTIR 162 6.6.2 Thermal Properties of Films 163 6.6.3 Scanning Electron Microscopy 164 6.6.4 TEM 165 6.6.5 Barrier Properties 165 6.6.5.1 Light Barrier Properties and Transparency 165 6.6.5.2 Oxygen Barrier Properties 165 6.6.5.3 Water Vapour Barrier Property 166 6.7 Application of Polymers in Food Industry 167 6.8 Application of Polymers in Medicine 168 6.9 Biodegradability of PVA 170 6.10 Conclusions 174 References 175 7 Biomedical Applications of Polyvinyl Alcohol-Based Bionanocomposites 179Bruno Leandro Pereira, Viviane Seba Sampaio, Gabriel Goetten de Lima, Carlos Maurício Lepienski, Mozart Marins, Bor Shin Chee and Michael J. D. Nugent 7.1 Introduction 180 7.2 Application in Drug Delivery Systems 181 7.3 Applications in Wound Healing 184 7.4 Applications in Tissue Engineering 189 7.5 Applications in Regenerative Medicine 192 7.6 Conclusions and Future Perspectives 193 References 194 8 Hybrid Interpolymeric Complexes 205Igor Prosanov 8.1 Introduction 205 8.1.1 Historical Overview 205 8.1.2 General Description of HICs 207 8.1.3 Relative Materials 210 8.1.4 To Summarize 211 8.2 Production of HICs 211 8.2.1 To Summarize 215 8.3 Structure of Hybrid Interpolymeric Complexes 215 8.3.1 General Description of Experimental Methods and Computations 215 8.3.2 Halides of Second Group Elements as HICs Components 217 8.3.2.1 Cadmium Halides Based HICs 220 8.3.2.2 Zinc Halides Based HICs 227 8.3.3 Sulfides as HICs Components 227 8.3.4 Boric Acid as HIC Component 230 8.3.5 Copper Hydroxide/Oxide as HIC Component 232 8.3.6 Hydroxides and Oxides Other then Copper Elements as HICs Components 236 8.3.7 To Summarize 243 8.4 Possible Applications of HICs 243 8.4.1 To Summarize 247 8.5 Conclusion 248 References 248 Index 253

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Book SynopsisThis is the fourth volume in the series Advances in Contact Angle, Wettability and Adhesion initiated to consolidate information and provide commentary on certain recent research aspects dealing with this important topic. Its predecessor Volumes 1, 2 and 3 were published in 2013, 2015 and 2018 respectively. This new book comprising 14 research and review articles is divided into four parts: Part 1: Contact Angle and Wettability Aspects; Part 2: Surface Free Energy and Surface Tension Determination; Part 3: Applied Aspects. The topics covered include: Contact Angle Determination of Talc Powders from Heat of Immersion Surface Wetting at Macro and Nanoscale Wettability of Wood Surfaces with Waterborne Acrylic Lacquer Stains Modulated by DBD Plasma Treatment in Air at Atmospheric Pressure Wettability of Ultrafiltration Membranes Determination of the Surface Free Energy of Solid Surfaces: Can the Best Model be Found Table of ContentsPreface xiii 1 Contact Angle Determination of Talc Powders from Heat of Immersion 1 Ismail Yildirim and Roe-Hoan Yoon 1.1 Introduction 1 1.2 Theoretical Background 3 1.3 Experimental 5 1.3.1 Materials 5 1.3.2 Experimental Apparatus and Procedures 6 1.4 Results and Discussion 7 1.5 Summary 15 References 15 2 Surface Wetting at Macro and Nanoscale 17 Meenakshi Annamalai, Saurav Prakash, Siddhartha Ghosh, Abhijeet Patra and T. Venkatesan 2.1 Introduction 17 2.2 Intrinsic Wetting Properties of REOs 20 2.3 Nanoscale Approach to Measuring Wettability 25 2.4 On the Nature of Wettability of van der Waals Heterostructures 28 2.5 Summary 33 References 34 3 Wettability of Wood Surfaces with Waterborne Acrylic Lacquer Stains Modulated by DBD Plasma Treatment in Air at Atmospheric Pressure 41 Jure Žigon, Marko Petrič and Sebastian Dahle 3.1 Introduction 41 3.2 Materials and Methods 43 3.2.1 Materials 43 3.2.2 Plasma Treatment 43 3.2.3 Contact Angle (CA) Measurements and Surface Free Energy (SFE) Determination 44 3.2.4 Spreading Area Determination 45 3.2.5 Application of Coatings on Sample Surfaces 45 3.2.6 Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) Spectroscopy 46 3.2.7 Confocal Laser Scanning Microscopy 46 3.2.8 Pull-Off Adhesion Strength of the Coatings 46 3.2.9 Cross-Cut Test 46 3.3 Results and Discussion 47 3.3.1 Contact Angles and Surface Free Energy 47 3.3.2 Spreading of Colored Water Droplets on Untreated and Plasma Treated Wood Surfaces 47 3.3.3 Surface Roughness 50 3.3.4 Contact Angles of Primer and Topcoat 50 3.3.5 Adhesion Strength Determined by the Pull-Off Test Method 52 3.3.6 The Results of the Cross-Cut Tests 53 3.4 Summary and Conclusions 53 Acknowledgements 54 References 54 4 Wettability of Ultrafiltration Membranes 57 Konrad Terpiłowski, Małgorzata Bielska, Krystyna Prochaska and Emil Chibowski 4.1 Introduction 57 4.2 Apparent Surface Free Energy Determination 58 4.2.1 Contact Angle Hysteresis Approach 59 4.2.2 Neumann Equation-of-State Approach 59 4.2.3 Equilibrium Contact Angle Approach 59 4.2.4 van Oss, Chaudhury and Good Approach 60 4.3 Experimental 60 4.3.1 Materials 60 4.3.2 Methods 61 4.4 Results and Discussion 61 4.4.1 Surface Topography 61 4.4.2 Contact Angle Measurements 65 4.5 Conclusions 70 References 71 5 Determination of the Surface Free Energy of Solid Surfaces: Can the Best Model be Found 73 Frank M. Etzler 5.1 Introduction 74 5.1.1 Zisman Critical Surface Tension 74 5.1.2 Neumann’s Method 75 5.1.3 van Oss, Chaudhury and Good Approach 77 5.1.4 Chen and Chang Model 80 5.2 The Present Study 82 5.2.1 Statistical Methods 82 5.2.2 Dalal’s Data 85 5.3 Data Analysis 86 5.3.1 Fittting of PVC Data 86 5.3.2 Fitting of PMMA Data 88 5.3.3 Assessing Which Model is Best 92 5.4 Summary and Conclusions 95 References 96 6 Surface Free Energy Characterization of Talc Particles 99 Ismail Yildirim and Roe-Hoan Yoon 6.1 Introduction 99 6.2 Theoretical Background 100 6.2.1 vOCG Equation 100 6.2.2 Contact Angle Measurements 102 6.3 Experimental 104 6.3.1 Talc Samples 104 6.3.2 Liquids 104 6.3.3 Capillary Rise Method 104 6.3.4 Thin Layer Wicking Method 105 6.3.5 Heat of Immersion Method 105 6.4 Results and Discussion 106 6.4.1 Heat of Immersion 106 6.4.2 Contact Angles 107 6.4.3 Talc Surface Free Energy and Its Components 110 6.5 Summary and Conclusions 112 References 113 7 Determination of the Surface Free Energy of Skin and the Factors Affecting it by the Contact Angle Method 115 Davide Rossi and Antonio Bettero 7.1 Introduction 116 7.2 Experimental 118 7.2.1 Method for Preparation of Ex Vivo Skin 120 7.2.2 Preparation of Liposomal Dispersion by the Bettero/Gazzaniga Method 120 7.2.3 Preparation of Test Liquids for the Surface Free Energy Analysis of In Vivo and Ex Vivo Skin 120 7.2.4 Determination of SFE of In Vivo and Ex Vivo Skin using the SFECA Method 121 7.2.5 Evaluation of the Epidermic Hydration State by Corneometric Approach 123 7.2.6 Determination of the Epidermic Hydration State by the SFECA Method 123 7.2.7 Correlation Analyses and Mathematical Means 125 7.3 Results and Discussion 125 7.3.1 Determination of the SFE of Ex Vivo Skin by the SFECA Method 126 7.3.1.1 Comparison between Surface Free Energy and Corneometric Data for the In Vivo Skin Hydration State Evaluation 129 7.3.1.2 Determination of the Hydration State of In Vivo Skin 130 7.3.2 Characterization of SFE, DC and PC of In Vivo Skin by the SFECA Method 132 7.3.3 Determination of SFESKIN and Applicability of TVS Skin Test by the SFECA Method 135 7.4 Summary and Conclusions 139 Acknowledgments 141 References 141 8 Determination of Surface Tension Components of Aqueous Solutions Using Fomblin HC/25® Perfluoropolyether Liquid Film as a Solid Substrate 145 D. Rossi, S. Rossi and N. Realdon 8.1 Introduction 146 8.2 Materials Used 151 8.3 Fomblin HC-25® Perfluoropolyether Liquid Film Preparation (Solid-Like Methodology) 153 8.4 Determination of Surface Free Energy (SFE) 153 8.4.1 Determination of Surface Free Energy (SFE) of PermaFoam 154 8.4.2 Determination of Surface Tension (ST) of MilliQ Water 155 8.4.3 Determination of Surface Tension (ST) of Aqueous Solutions in DW 158 8.4.3.1 Sodium Chloride Solutions 160 8.4.3.2 Glycerol Solutions 162 8.4.3.3 Sucrose Solutions 163 8.4.3.4 Ternary Sugar Solutions 167 8.5 Analysis of Correlations 170 8.6 Summary and Conclusions 171 8.7 Acknowledgements 174 List of Abbreviations 174 References 175 9 Enhancing the Wettability of Polybenzimidazole (PBI) to Improve Fuel Cell Performance 179 Katerine Vega, Matthew Cocca, Han Le, Marc Toro, Anthony Garcia, Andrew Fleischer, Alla Bailey, Joel Shertok, Michael Mehan, Surendra K. Gupta and Gerald A. Takacs 9.1 Introduction 180 9.2 Experimental 181 9.2.1 Materials 181 9.2.2 Production of O Atoms 181 9.2.3 X-Ray Photoelectron Spectroscopy (XPS) 181 9.2.4 Contact Angle Goniometry 182 9.2.5 Atomic Force Microscopy (AFM) 182 9.2.6 Thermal Gravimetric Analysis (TGA) 182 9.3 Results and Discussion 183 9.3.1 XPS Analysis 183 9.3.1.1 XPS Quantitative Analyses and Contact Angle Measurements 183 9.3.1.2 XPS Chemical State Analysis 184 9.3.2 Surface Topography of PBI Treated with O Atoms 185 9.3.3 TGA Analysis of PBI Samples Treated with O Atoms and Doped with H3PO4 186 9.4 Discussion 188 9.5 Conclusions 189 Acknowledgments 189 References 190 10 Evaluation of Sebum Resistance for Long-Wear Face Make-Up Products Using Contact Angle Measurements 193 Hy Si Bui, Mariko Hasebe and Jody Ebanks 10.1 Introduction 193 10.1.1 Long-Wear Foundation 193 10.1.2 Wetting and Spreading 195 10.2 Experiments 196 10.2.1 Foundation Samples and Bio Skin Plate 196 10.2.2 Rheology of Foundation Samples 196 10.2.3 Surface Roughness 197 10.2.4 Contact Angle Measurements 197 10.3 Results and Discussion 198 10.3.1 Rheology of Foundation Samples 198 10.3.2 Surface Roughness 200 10.3.3 Surface Free Energy of Bio Skin Substrate and Foundation Films 203 10.4 Contact Angles of Foundations with Water 207 10.5 Contact Angles of Foundations with Sebum 209 10.6 Effect of Sebum on Color Transfer and Film Integrity 214 10.7 Summary and Prospects 215 Acknowledgements 217 References 217 11 Contact Angle Hysteresis of Pressure Sensitive Adhesives due to Adhesion Tension Relaxation 223 Naoto Shiomura, Takashi Sekine and Dehua Yang 11.1 Introduction 223 11.2 Theoretical Background 224 11.3 Experimental 228 11.3.1 Preparation of Samples and Experimental Conditions 228 11.3.2 Static Contact Angle Measurement 228 11.3.3 Surface Free Energy (SFE) Analysis 228 11.3.4 Dynamic Contact Angle as a Function of Time 229 11.3.5 Dynamic Contact Angle Hysteresis with the Wilhelmy Plate Method 229 11.3.6 Adhesion Tension Relaxation (ATR) 229 11.3.7 Peel Force Measurement 230 11.4 Results and Discussion 230 11.4.1 Static Contact Angles and SFE Analysis 230 11.4.2 Dynamic Contact Angle as a Function of Time 232 11.4.3 Dynamic Contact Angle Hysteresis 232 11.4.4 Adhesion Tension Relaxation (ATR) 233 11.4.5 Peel Force 235 11.5 Conclusion 236 References 237 12 The Potential of Surface Nano-Engineering and Superhydrophobic Surfaces in Drag Reduction 239 Ali Shahsavari, Amir Nejat and Seyed Farshid Chini Nomenclature 240 Greek Letters 240 Subscripts 241 Superscript 241 12.1 Introduction 241 12.2 Parameters Affecting the Slip Length 246 12.3 Slip Length Measurement on Superhydrophobic Surfaces 249 12.4 Drag Reduction of Superhydrophobic Surfaces 250 12.4.1 Wettability Parameters 250 12.4.2 Reynolds Number and Shear Rate 251 12.4.2.1 Turbulent Structure 251 12.5 Effect of Superhydrophobicity on External Flow 252 12.5.1 Flat Plate 253 12.5.2 Bluff Body 253 12.5.3 Superhydrophobic Streamline Body 254 12.5.4 Partial Superhydrophobicity of NACA 0012 Hydrofoil 255 12.6 Conclusion 258 References 258 13 Laser Surface Engineering of Polymeric Materials for Enhanced Mesenchymal Stem Cell Adhesion and Growth 267 D.G. Waugh, D. Cosgrove, I. Hussain and J. Lawrence 13.1 Introduction 268 13.2 Mesenchymal Stem Cells (MSCs) 269 13.3 Poly(ether ether ketone) 273 13.4 Laser Surface Engineering 274 13.4.1 Laser-Induced Surface Patterning 275 13.4.2 Pulsed Laser Deposition of Polymeric Biomaterials 276 13.4.3 Laser-Induced Surface Chemistry Modification 277 13.5 CO2 Laser Surface Engineering of Poly(ether ether ketone) 277 13.5.1 Material Selection and Laser Surface Engineering 278 13.5.2 Surface Roughness, Topography and Wettability Characteristics Analysis 280 13.5.3 Surface Chemical Properties 281 13.5.4 In Vitro Cell Experimentation 282 13.6 Effects of CO2 Laser Surface Engineering on Surface Parameters of Poly(ether ether ketone) 283 13.7 Effects of CO2 Laser Surface Engineering on Mesenchymal Stem Cell Response to Poly(ether ether ketone) 285 13.8 Poly(ether ether ketone) and other Polymers as Bio-Composite Materials 286 13.9 Summary 290 References 290 14 Sisal-Green Resin Interfaces in Green Composites 299 A. N. Netravali 14.1 Introduction 299 14.2 Sustainable ‘Green’ Composites 301 14.3 Sisal Fiber Composites 302 14.4 Fiber/Resin Interface 303 14.4.1 Sisal/Green Resin Interface Strength 305 14.5 Modification of Cellulosic Fibers for Enhancing Fiber/Resin Interfacial Bonding 307 14.6 Summary 311 References 312 Index 319

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Book SynopsisDynamic Response of Advanced Ceramics Discover fundamental concepts and recent advances in experimental, analytical, and computational research into the dynamic behavior of ceramicsIn Dynamic Response of Advanced Ceramics, an accomplished team of internationally renowned researchers delivers a comprehensive exploration of foundational and advanced concepts in experimental, analytical, and computational aspects of the dynamic behavior of advanced structural ceramics and transparent materials. The book discusses new techniques used for determination of dynamic hardness and dynamic fracture toughness, as well as edge-on-impact experiments for imaging evolving damage patterns at high impact velocities. The authors also include descriptions of the dynamic deformation behavior of icosahedral ceramics and the dynamic behavior of several transparent materials, like chemically strengthened glass and glass ceramics. The developments discussed within the book have applications in everything froTable of ContentsChapter 1: A Brief History of Ceramic Materials And Introduction To Their Dynamic Behavior Chapter 2: High-Strain-Rate Experimental Techniques Chapter 3: Brief Overview of Deformation Mechanisms during Projectile Impact on a Confined Ceramic Chapter 4: Static and Dynamic Responses of Ceramics Chapter 5: Shock Response of Brittle Solids Chapter 6: Dynamic Deformation of Icosahedral Boron-Based Ceramics Chapter 7: Dynamic Behavior of Brittle Transparent Materials Chapter 8: Emerging Directions: Ceramics with Tailored Properties

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Book SynopsisIntroduces readers to the fundamentals and applications of variational formulations in mechanics Nearly 40 years in the making, this book provides students with the foundation material of mechanics using a variational tapestry. It is centered around the variational structure underlying the Method of Virtual Power (MVP). The variational approach to the modeling of physical systems is the preferred approach to address complex mathematical modeling of both continuum and discrete media. This book provides a unified theoretical framework for the construction of a wide range of multiscale models. Introduction to the Variational Formulation in Mechanics: Fundamentals and Applications enables readers to develop, on top of solid mathematical (variational) bases, and following clear and precise systematic steps, several models of physical systems, including problems involving multiple scales. It covers: Vector and Tensor Algebra; Vector and Tensor Analysis; MechaniTable of ContentsPreface xv Part I Vector and Tensor Algebra and Analysis 1 1 Vector and Tensor Algebra 3 1.1 Points and Vectors 3 1.2 Second-Order Tensors 6 1.3 Third-Order Tensors 17 1.4 Complementary Reading 22 2 Vector and Tensor Analysis 23 2.1 Differentiation 23 2.2 Gradient 28 2.3 Divergence 30 2.4 Curl 32 2.5 Laplacian 34 2.6 Integration 35 2.7 Coordinates 38 2.8 Complementary Reading 45 Part II Variational Formulations in Mechanics 47 3 Method of Virtual Power 49 3.1 Introduction 49 3.2 Kinematics 50 3.2.1 Body and Deformations 50 3.2.2 Motion: Deformation Rate 55 3.2.3 Motion Actions: Kinematical Constraints 61 3.3 Duality and Virtual Power 66 3.3.1 Motion Actions and Forces 67 3.3.2 Deformation Actions and Internal Stresses 69 3.3.3 Mechanical Models and the Equilibrium Operator 71 3.4 Bodies without Constraints 74 3.4.1 Principle of Virtual Power 75 3.4.2 Principle of Complementary Virtual Power 80 3.5 Bodies with Bilateral Constraints 81 3.5.1 Principle of Virtual Power 81 3.5.2 Principle of Complementary Virtual Power 86 3.6 Bodies with Unilateral Constraints 87 3.6.1 Principle of Virtual Power 89 3.6.2 Principle of Complementary Virtual Power 92 3.7 Lagrangian Description of the Principle of Virtual Power 94 3.8 Configurations with Preload and Residual Stresses 97 3.9 Linearization of the Principle of Virtual Power 100 3.9.1 Preliminary Results 101 3.9.2 Known Spatial Configuration 102 3.9.3 Known Material Configuration 102 3.10 Infinitesimal Deformations and Small Displacements 103 3.10.1 Bilateral Constraints 104 3.10.2 Unilateral Constraints 105 3.11 Final Remarks 106 3.12 Complementary Reading 107 4 Hyperelastic Materials at Infinitesimal Strains 109 4.1 Introduction 109 4.2 Uniaxial Hyperelastic Behavior 109 4.3 Three-Dimensional Hyperelastic Constitutive Laws 113 4.4 Equilibrium in Bodies without Constraints 116 4.4.1 Principle of Virtual Work 117 4.4.2 Principle of Minimum Total Potential Energy 117 4.4.3 Local Equations and Boundary Conditions 118 4.4.4 Principle of Complementary Virtual Work 120 4.4.5 Principle of Minimum Complementary Energy 121 4.4.6 Additional Remarks 122 4.5 Equilibrium in Bodies with Bilateral Constraints 123 4.5.1 Principle of Virtual Work 125 4.5.2 Principle of Minimum Total Potential Energy 125 4.5.3 Principle of Complementary Virtual Work 126 4.5.4 Principle of Minimum Complementary Energy 127 4.6 Equilibrium in Bodies with Unilateral Constraints 128 4.6.1 Principle of Virtual Work 128 4.6.2 Principle of Minimum Total Potential Energy 128 4.6.3 Principle of Complementary Virtual Work 129 4.6.4 Principle of Minimum Complementary Energy 130 4.7 Min–Max Principle 131 4.7.1 Hellinger–Reissner Functional 131 4.7.2 Hellinger–Reissner Principle 133 4.8 Three-Field Functional 134 4.9 Castigliano Theorems 136 4.9.1 First and Second Theorems 136 4.9.2 Bounds for Displacements and Generalized Loads 139 4.10 Elastodynamics Problem 144 4.11 Approximate Solution to Variational Problems 148 4.11.1 Elastostatics Problem 148 4.11.2 Hellinger–Reissner Principle 154 4.11.3 Generalized Variational Principle 156 4.11.4 Contact Problems in Elastostatics 158 4.12 Complementary Reading 162 5 Materials Exhibiting Creep 165 5.1 Introduction 165 5.2 Phenomenological Aspects of Creep in Metals 165 5.3 Influence of Temperature 168 5.4 Recovery, Relaxation, Cyclic Loading, and Fatigue 170 5.5 Uniaxial Constitutive Equations 173 5.6 Three-Dimensional Constitutive Equations 182 5.7 Generalization of the Constitutive Law 188 5.8 Constitutive Equations for Structural Components 191 5.8.1 Bending of Beams 192 5.8.2 Bending, Extension, and Compression of Beams 195 5.9 Equilibrium Problem for Steady-State Creep 199 5.9.1 Mechanical Equilibrium 199 5.9.2 Variational Formulation 201 5.9.3 Variational Principles of Minimum 205 5.10 Castigliano Theorems 209 5.10.1 First and Second Theorems 209 5.10.2 Bounds for Velocities and Generalized Loads 211 5.11 Examples of Application 214 5.11.1 Disk Rotating with Constant Angular Velocity 214 5.11.2 Cantilevered Beam with Uniform Load 217 5.12 Approximate Solution to Steady-State Creep Problems 219 5.13 Unsteady Creep Problem 225 5.14 Approximate Solutions to Unsteady Creep Formulations 227 5.15 Complementary Reading 228 6 Materials Exhibiting Plasticity 229 6.1 Introduction 229 6.2 Elasto-Plastic Materials 229 6.3 Uniaxial Elasto-Plastic Model 235 6.3.1 Elastic Relation 235 6.3.2 Yield Criterion 236 6.3.3 Hardening Law 238 6.3.4 Plastic Flow Rule 240 6.4 Three-Dimensional Elasto-Plastic Model 243 6.4.1 Elastic Relation 244 6.4.2 Yield Criterion and Hardening Law 246 6.4.3 Potential Plastic Flow 249 6.5 Drucker and Hill Postulates 253 6.6 Convexity, Normality, and Plastic Potential 255 6.6.1 Normality Law and a Rationale for the Potential Law 255 6.6.2 Convexity of the Admissible Region 257 6.7 Plastic Flow Rule 258 6.8 Internal Dissipation 260 6.9 Common Yield Functions 262 6.9.1 The von Mises Criterion 263 6.9.2 The Tresca Criterion 264 6.10 Common Hardening Laws 266 6.11 Incremental Variational Principles 267 6.11.1 Principle of Minimum for the Velocity 268 6.11.2 Principle of Minimum for the Stress Rate 269 6.11.3 Uniqueness of the Stress Field 270 6.11.4 Variational Inequality for the Stress 270 6.11.5 Principle of Minimum with Two Fields 271 6.12 Incremental Constitutive Equations 272 6.12.1 Constitutive Equations for Rates 273 6.12.2 Constitutive Equations for Increments 275 6.12.3 Variational Principle in Finite Increments 278 6.13 Complementary Reading 279 Part III Modeling of Structural Components 281 7 Bending of Beams 285 7.1 Introduction 285 7.2 Kinematics 285 7.3 Generalized Forces 289 7.4 Mechanical Equilibrium 290 7.5 Timoshenko Beam Model 294 7.6 Final Remarks 298 8 Torsion of Bars 301 8.1 Introduction 301 8.2 Kinematics 301 8.3 Generalized Forces 304 8.4 Mechanical Equilibrium 305 8.5 Dual Formulation 309 9 Plates and Shells 315 9.1 Introduction 315 9.2 Geometric Description 316 9.3 Differentiation and Integration 320 9.4 Principle of Virtual Power 323 9.5 Unified Framework for Shell Models 326 9.6 Classical Shell Models 332 9.6.1 Naghdi Model 332 9.6.2 Kirchhoff–Love Model 335 9.6.3 Love Model 340 9.6.4 Koiter Model 342 9.6.5 Sanders Model 344 9.6.6 Donnell–Mushtari–Vlasov Model 346 9.7 Constitutive Equations and Internal Constraints 347 9.7.1 Preliminary Concepts 348 9.7.2 Model with Naghdi Hypothesis 350 9.7.3 Model with Kirchhoff–Love Hypothesis 357 9.8 Characteristics of Shell Models 360 9.8.1 Relation Between Generalized Stresses 360 9.8.2 Equilibrium Around the Normal 361 9.8.2.1 Kirchhoff–Love Model 361 9.8.2.2 Love Model 362 9.8.2.3 Koiter Model 363 9.8.2.4 Sanders Model 363 9.8.3 Reactive Generalized Stresses 364 9.8.3.1 Reactions in the Naghdi Model 364 9.8.3.2 Reactions in the Kirchhoff–Love Model 366 9.9 Basics Notions of Surfaces 369 9.9.1 Preliminaries 369 9.9.2 First Fundamental Form 370 9.9.3 Second Fundamental Form 372 9.9.4 Third Fundamental Form 375 9.9.5 Complementary Properties 375 Part IV Other Problems in Physics 377 10 Heat Transfer 379 10.1 Introduction 379 10.2 Kinematics 379 10.3 Principle of Thermal Virtual Power 381 10.4 Principle of Complementary Thermal Virtual Power 386 10.5 Constitutive Equations 388 10.6 Principle of Minimum Total Thermal Energy 390 10.7 Poisson and Laplace Equations 390 11 Incompressible Fluid Flow 393 11.1 Introduction 393 11.2 Kinematics 394 11.3 Principle of Virtual Power 396 11.4 Navier–Stokes Equations 403 11.5 Stokes Flow 405 11.6 Irrotational Flow 407 12 High-Order Continua 411 12.1 Introduction 411 12.2 Kinematics 412 12.3 Principle of Virtual Power 418 12.4 Dynamics 425 12.5 Micropolar Media 427 12.6 Second Gradient Theory 429 Part V Multiscale Modeling 435 13 Method of Multiscale Virtual Power 439 13.1 Introduction 439 13.2 Method of Virtual Power 439 13.2.1 Kinematics 439 13.2.2 Duality 442 13.2.3 Principle of Virtual Power 445 13.2.4 Equilibrium Problem 446 13.3 Fundamentals of the Multiscale Theory 447 13.4 Kinematical Admissibility between Scales 449 13.4.1 Macroscale Kinematics 449 13.4.2 Microscale Kinematics 451 13.4.3 Insertion Operators 453 13.4.4 Homogenization Operators 456 13.4.5 Kinematical Admissibility 458 13.5 Duality in Multiscale Modeling 462 13.5.1 Macroscale Virtual Power 462 13.5.2 Microscale Virtual Power 464 13.6 Principle of Multiscale Virtual Power 467 13.7 Dual Operators 468 13.7.1 Microscale Equilibrium 468 13.7.2 Homogenization of Generalized Stresses 470 13.7.3 Homogenization of Generalized Forces 472 13.8 Final Remarks 473 14 Applications of Multiscale Modeling 475 14.1 Introduction 475 14.2 Solid Mechanics with External Forces 475 14.2.1 Multiscale Kinematics 476 14.2.2 Characterization of Virtual Power 479 14.2.3 Principle of Multiscale Virtual Power 480 14.2.4 Equilibrium Problem and Homogenization 482 14.2.5 Tangent Operators 487 14.3 Mechanics of Incompressible Solid Media 490 14.3.1 Principle of Virtual Power 491 14.3.2 Multiscale Kinematics 493 14.3.3 Principle of Multiscale Virtual Power 495 14.3.4 Incompressibility and Material Configuration 497 14.4 Final Remarks 500 Part VI Appendices 501 A Definitions and Notations 503 A.1 Introduction 503 A.2 Sets 503 A.3 Functions and Transformations 504 A.4 Groups 507 A.5 Morphisms 509 A.6 Vector Spaces 509 A.7 Sets and Dependence in Vector Spaces 512 A.8 Bases and Dimension 513 A.9 Components 514 A.10 Sum of Sets and Subspaces 516 A.11 Linear Manifolds 516 A.12 Convex Sets and Cones 516 A.13 Direct Sum of Subspaces 517 A.14 Linear Transformations 517 A.15 Canonical Isomorphism 522 A.16 Algebraic Dual Space 523 A.16.1 Orthogonal Complement 524 A.16.2 Positive and Negative Conjugate Cones 525 A.17 Algebra in V 526 A.18 Adjoint Operators 528 A.19 Transposition and Bilinear Functions 529 A.20 Inner Product Spaces 532 B Elements of Real and Functional Analysis 539 B.1 Introduction 539 B.2 Sequences 541 B.3 Limit and Continuity of Functions 542 B.4 Metric Spaces 544 B.5 Normed Spaces 546 B.6 Quotient Space 549 B.7 Linear Transformations in Normed Spaces 550 B.8 Topological Dual Space 552 B.9 Weak and Strong Convergence 553 C Functionals and the Gâteaux Derivative 555 C.1 Introduction 555 C.2 Properties of Operator 𝒦 555 C.3 Convexity and Semi-Continuity 556 C.4 Gâteaux Differential 557 C.5 Minimization of Convex Functionals 557 References 559 Index 575

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Book SynopsisThe new edition of the popular introductory textbook on numerical approximation methods and mathematical analysis, with a unique emphasis on real-world application An Introduction to Numerical Methods and Analysis helps students gain a solid understanding of a wide range of numerical approximation methods for solving problems of mathematical analysis. Designed for entry-level courses on the subject, this popular textbook maximizes teaching flexibility by first covering basic topics before gradually moving to more advanced material in each chapter and section. Throughout the text, students are provided clear and accessible guidance on a wide range of numerical methods and analysis techniques, including root-finding, numerical integration, interpolation, solution of systems of equations, and many others. This fully revised third edition contains new sections on higher-order difference methods, the bisection and inertia method for computing eigenvalues of a Table of ContentsPreface xiii 1 Introductory Concepts and Calculus Review 1 1.1 Basic Tools of Calculus 2 1.1.1 Taylor’s Theorem 2 1.1.2 Mean Value and Extreme Value Theorems 9 1.2 Error, Approximate Equality, and Asymptotic Order Notation 14 1.2.1 Error 14 1.2.2 Notation: Approximate Equality 15 1.2.3 Notation: Asymptotic Order 16 1.3 A Primer on Computer Arithmetic 20 1.4 A Word on Computer Languages and Software 29 1.5 A Brief History of Scientific Computing 32 1.6 Literature Review 36 References 36 2 A Survey of Simple Methods and Tools 39 2.1 Horner’s Rule and Nested Multiplication 39 2.2 Difference Approximations to the Derivative 44 2.3 Application: Euler’s Method for Initial Value Problems 52 2.4 Linear Interpolation 58 2.5 Application—The Trapezoid Rule 64 2.6 Solution of Tridiagonal Linear Systems 75 2.7 Application: Simple Two-Point Boundary Value Problems 81 3 Root-Finding 87 3.1 The Bisection Method 88 3.2 Newton’s Method: Derivation and Examples 95 3.3 How to Stop Newton’s Method 101 3.4 Application: Division Using Newton’s Method 104 3.5 The Newton Error Formula 108 3.6 Newton’s Method: Theory and Convergence 113 3.7 Application: Computation of the Square Root 117 3.8 The Secant Method: Derivation and Examples 120 3.9 Fixed-Point Iteration 124 3.10 Roots of Polynomials, Part 1 133 3.11 Special Topics in Root-finding Methods 141 3.11.1 Extrapolation and Acceleration 141 3.11.2 Variants of Newton’s Method 145 3.11.3 The Secant Method: Theory and Convergence 149 3.11.4 Multiple Roots 153 3.11.5 In Search of Fast Global Convergence: Hybrid Algorithms 157 3.12 Very High-order Methods and the Efficiency Index 162 3.13 Literature and Software Discussion 166 References 166 4 Interpolation and Approximation 169 4.1 Lagrange Interpolation 169 4.2 Newton Interpolation and Divided Differences 175 4.3 Interpolation Error 185 4.4 Application: Muller’s Method and Inverse Quadratic Interpolation 190 4.5 Application: More Approximations to the Derivative 194 4.6 Hermite Interpolation 196 4.7 Piecewise Polynomial Interpolation 200 4.8 An Introduction to Splines 207 4.8.1 Definition of the Problem 207 4.8.2 Cubic B-Splines 208 4.9 Tension Splines 223 4.10 Least Squares Concepts in Approximation 229 4.10.1 An Introduction to Data Fitting 229 4.10.2 Least Squares Approximation and Orthogonal Polynomials 233 4.11 Advanced Topics in Interpolation and Approximation 246 4.11.1 Stability of Polynomial Interpolation 247 4.11.2 The Runge Example 249 4.11.3 The Chebyshev Nodes 253 4.11.4 Spectral Interpolation 257 4.12 Literature and Software Discussion 265 References 266 5 Numerical Integration 269 5.1 A Review of the Definite Integral 270 5.2 Improving the Trapezoid Rule 272 5.3 Simpson’s Rule and Degree of Precision 277 5.4 The Midpoint Rule 288 5.5 Application: Stirling’s Formula 292 5.6 Gaussian Quadrature 294 5.7 Extrapolation Methods 306 5.8 Special Topics in Numerical Integration 313 5.8.1 Romberg Integration 313 5.8.2 Quadrature with Non-smooth Integrands 318 5.8.3 Adaptive Integration 323 5.8.4 Peano Estimates for the Trapezoid Rule 329 5.9 Literature and Software Discussion 335 References 335 6 Numerical Methods for Ordinary Differential Equations 337 6.1 The Initial Value Problem: Background 338 6.2 Euler’s Method 343 6.3 Analysis of Euler’s Method 346 6.4 Variants of Euler’s Method 350 6.4.1 The Residual and Truncation Error 352 6.4.2 Implicit Methods and Predictor–Corrector Schemes 355 6.4.3 Starting Values and Multistep Methods 360 6.4.4 The Midpoint Method and Weak Stability 362 6.5 Single-Step Methods: Runge–Kutta 367 6.6 Multistep Methods 374 6.6.1 The Adams Families 374 6.6.2 The BDF Family 378 6.7 Stability Issues 380 6.7.1 Stability Theory for Multistep Methods 380 6.7.2 Stability Regions 384 6.8 Application to Systems of Equations 385 6.8.1 Implementation Issues and Examples 385 6.8.2 Stiff Equations 389 6.8.3 A-Stability 390 6.9 Adaptive Solvers 394 6.10 Boundary Value Problems 407 6.10.1 Simple Difference Methods 407 6.10.2 Shooting Methods 414 6.10.3 Higher Order Difference Methods for BVPs 417 6.10.4 Finite Element Methods for BVPs 424 6.11 Literature and Software Discussion 432 References 433 7 Numerical Methods for the Solution of Systems of Equations 435 7.1 Linear Algebra Review 436 7.2 Linear Systems and Gaussian Elimination 438 7.3 Operation Counts 445 7.4 The LU Factorization 447 7.5 Perturbation, Conditioning, and Stability 459 7.5.1 Vector and Matrix Norms 459 7.5.2 The Condition Number and Perturbations 461 7.5.3 Estimating the Condition Number 468 7.5.4 Iterative Refinement 471 7.6 SPD Matrices and the Cholesky Decomposition 475 7.7 Application: Numerical Solution of Linear Least Squares Problems 478 7.8 Sparse and Structured Matrices 484 7.9 Iterative Methods for Linear Systems: A Brief Survey 485 7.10 Nonlinear Systems: Newton’s Method and Related Ideas 493 7.10.1 Newton’s Method 494 7.10.2 Fixed-Point Methods 497 7.11 Application: Numerical Solution of Nonlinear Boundary Value Problems 499 7.12 Literature and Software Discussion 501 References 502 8 Approximate Solution of the Algebraic Eigenvalue Problem 503 8.1 Eigenvalue Review 503 8.2 Reduction to Hessenberg Form 509 8.3 Power Methods 515 8.4 Bisection and Inertia to Compute Eigenvalues of Symmetric Matrices 533 8.5 An Overview of the QR Iteration 539 8.6 Application: Roots of Polynomials, Part II 548 8.7 Application: Computation of Gaussian Quadrature Rules 549 8.8 Literature and Software Discussion 557 References 557 9 A Survey of Numerical Methods for Partial Differential Equations 559 9.1 Difference Methods for the Diffusion Equation 559 9.1.1 The Basic Problem 559 9.1.2 The Explicit Method and Stability 560 9.1.3 Implicit Methods and the Crank–Nicolson Method 565 9.2 Finite Element Methods for the Diffusion Equation 574 9.3 Difference Methods for Poisson Equations 578 9.3.1 Discretization and Examples 578 9.3.2 Higher Order Methods 588 9.3.3 Iteration and the Method of Conjugate Gradients 593 9.4 Literature and Software Discussion 605 References 605 10 More on Spectral Methods 607 10.1 Spectral Methods for Two-Point Boundary Value Problems 608 10.2 Spectral Methods in Two Dimensions 621 10.3 Spectral Methods for Time-Dependent Problems 631 10.4 Clenshaw–Curtis Quadrature 635 10.5 Literature and Software Discussion 637 References 637 Appendix A: Proofs of Selected Theorems, and Additional Material 639 A.1 Proofs of the Interpolation Error Theorems 639 A.2 Proof of the Stability Result for ODEs 641 A.3 Stiff Systems of Differential Equations and Eigenvalues 642 A.4 The Matrix Perturbation Theorem 644 Index 646

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Book SynopsisUnderstanding the potential synergies between computer simulation and wargamingBased on the insights of experts in both domains, Simulation and Wargaming comprehensively explores the intersection between computer simulation and wargaming. This book shows how the practice of wargaming can be augmented and provide more detail-oriented insights using computer simulation, particularly as the complexity of military operations and the need for computational decision aids increases. The distinguished authors have hit upon two practical areas that have tremendous applications to share with one another but do not seem to be aware of that fact. The book includes insights into: The application of the data-driven speed inherent to computer simulation to wargamesThe application of the insight and analysis gained from wargames to computer simulationThe areas of concern raised by the combination of these two disparate yet related fieldsNew research and application opportunities emerging from the inteTable of ContentsForeword xv Preface xxiii List of Contributors xxv Author Biography xxix Prologue xli Part I Introduction 1 1 An Introduction to Wargaming and Modeling and Simulation 3Jeffrey Appleget Introduction 3 Terminology 3 An Abbreviated History of Wargames and Simulations 5 Wargames and Computer-Based Combat Simulations: From the Cold War to Today 6 Wargames Today 10 Simulations Today 13 Introduction 13 Simulation Types 13 Aggregate Simulations 13 Entity Simulations 14 Simulations and Prediction 14 Standard Assumptions 14 Data 15 Simulating the Reality of Combat 16 The Capability and Capacity of Modern Computing to Represent Combat 16 Finite Size 17 Number of Pieces/Entities 17 Terrain 18 Rules 18 Movement 18 Attack 19 Adjudication 19 Victory Conditions 19 Summary 20 Campaign Analysis 20 Conclusion 21 Part II Historical Context 23 2 A School for War – A Brief History of the Prussian Kriegsspiel 25Jorit Wintjes Introduction 25 Kriegsspiel Prehistory 29 A School for War – the Prussian Kriegsspiel 36 The Prussian Kriegsspiel 1824/28 – 1862 42 The Golden Age – 1862 to c. 1875 46 The Changing Kriegsspiel – c. 1875 to 1914 50 Kriegsspiel Beyond Borders – 1871 to 1914 54 Conclusion 59 3 Using Combat Models for Wargaming 65Joseph M. Saur The Nature of Combat Models 67 Europe’s Plan to Simulate the Entire Planet 77 China Exclusive: China’s “Magic Cube” Computer Unlocks the Future 77 A Model to Predict War 78 Afghanistan Stability/COIN Dynamics – Security 79 The Nature of Wargames 81 The Players – Who Might Be Involved? 85 The CRT – How Do We Adjudicate Political, Economic, Information and Other Non-Kinetic Actions? How DO WE ADJUDICATE KINETIC INTERACTIONS (Which, in This Case, We Hope Do Not Occur!)? 86 Organizational Behaviors 88 Issue in Wargames (and Combat Models) 89 Yyyyn 90 Part III Wargaming and Operations Research 91 4 An Analysis-Centric View of Wargaming, Modeling, Simulation, and Analysis 93Paul K. Davis Background and Structure 93 Relationships, Definitions, and Distinctions 94 Different Purposes for Wargaming 94 Backdrop 94 A Common Critique of M&S 94 Humans and M&S 98 Distinctions 98 A Model-Game-Model Paradigm 100 The Core Idea 100 Can Human Gaming Truly Serve as “Testing”? 101 Case Study: Deterrence and Stability on the Korean Peninsula 103 Background 103 Model Building 104 Ideal Methods and Practical Expedients 104 Modernizing the Escalation Ladder 106 Cognitive Decision Models 108 Top-Level Structure 109 Lower Level Structure 109 Designing and Executing a Human Game 111 Reflections and Conclusions 114 Implications for Simulation 117 5 Wargaming, Automation, and Military Experimentation to Quantitatively and Qualitatively Inform Decision-Making 123Jan Hodicky and Alejandro Hernandez Introduction 123 Military Methods to Knowledge Discovery 124 Technology: Knowledge Enablers 126 Wargaming Automation Challenges in M&S Perspective 128 Wargaming Relation to M&S 128 Wargaming Elements 129 Constructive Simulation Building Blocks 131 Wargaming Elements Not Supported by Constructive Simulation 131 Challenges to Combined Methodologies for Knowledge Discovery 132 Constructive Simulation Constrains in the Context of Automation and Wargaming 133 Stage- Wise Experimentation in CAW 139 A Progression of Mixed Methods to Grand Innovation 139 A Complete Application of ACAW and SWE for Future Capability Insights 144 Computer- Assisted Wargaming Classification 148 Conclusion 151 6 Simulation and Artificial Intelligence Methods for Wargames: Case Study – “European Thread” 157Andrzej Najgebauer, Sławomir Wojciechowski, Ryszard Antkiewicz, and Dariusz Pierzchała Introduction 157 Assumptions and Research Tools 159 Modeling of Complex Activities 161 Network Model of Complex Activities 161 The MCA Software Package for Wargaming 166 Wargame – Course of Action Evaluation 169 Assumptions 169 Situation 170 Model of Operation 173 A Collection of Values of the Function h(g) 173 Deterrence Phase 175 Parameters Value – Deterrence Phase 175 COA Evaluation 179 Summary 180 7 Combining Wargaming and Simulation Analysis 183Mark Sisson Introduction 183 Current Efforts Underway 184 Methodology 185 Frameworks or Schemas to Support Portfolios 186 Comparability 188 Emergence 190 Triangulation 190 Exercises 191 Artificial Intelligence 192 Wargames 193 Computer Simulation Models 194 Mathematical Models 195 Experimentation 196 Building Portfolios 196 Conclusion 199 8 The Use of M&S and Wargaming to Address Wicked Problems 203Phillip Pournelle Why Are We Doing This? 205 Framing the Problem 207 M&S Support to Wargames 212 Pathologies and How to Avoid Them 213 Combining Wargaming and M&S 219 Part IV Wargaming and Concept Developing and Testing 223 9 Simulation Support to Wargaming for Tactical Operations Planning 225Karsten Brathen, Rikke Amilde Seehuus, and Ole Martin Mevassvik Introduction 225 Operational Planning and Wargaming 226 What are the Benefits of Simulation Support to COA Wargaming? 231 Principles of Technology Support to Wargaming for Operations Planning 232 Enabling Technologies 234 Models 235 System Implementation 237 SWAP 238 SWAP Experiment 241 Conclusion and Way Forward 243 10 Simulation-Based Cyber Wargaming 249Ambrose Kam Motivation and Overview 249 Introduction 250 Cyber Simulation 253 Mission Analysis Tool 258 Wargames 261 Commercial Wargames 265 Future Work 267 Summary 269 11 Using Computer-Generated Virtual Realities, Operations Research, and Board Games for Conflict Simulations 273Armin Fügenschuh, Sönke Marahrens, Leonie Marguerite Johannsmann, Sandra Matuszewski, Daniel Müllenstedt, and Johannes Schmidt Introduction 273 Public Software (C:MA/NO) 275 User- Tailored Software (VBS3) 277 Artificial Intelligence for Solving Tactical Planning Problems 278 Wargaming Support 282 Conclusion 285 Part V Emerging Technologies 289 12 Virtual Worlds and the Cycle of Research: Enhancing Information Flow Between Simulationists and Wargamers 291Paul Vebber and Steven Aguiar The Cycle of Research as a Communications Framework 293 Bridging the Wargaming – Simulation Gap 297 Virtual World Beginnings 299 Elgin Marbles – An Analytic Game 301 Analytical vs. Narrative Games 303 Virtual Worlds as a Virtual Reality 307 Operational Wargames 308 Distributed LVC Wargames 312 The Future 315 13 Visualization Support to Strategic Decision-Making 317Richard J. Haberlin and Ernest H. Page Introduction 317 Impact/Capabilities 318 Strategic Planning 318 Acquisitions 318 Spectrum of Visualizations 319 Interactive Visualizations 320 Commercial Interactive Data Visualization 320 Custom Data and Analytics Visualization 320 Methodology 322 Model Elicitation 322 Framework 323 Considerations 323 Data 324 Analytic Tools 324 Colors of Money 324 Courses of Action 325 Model Construction 325 Strategic 326 Budget 327 Risk Identification and Mitigation 328 Example: The MITRE Simulation, Experimentation and Analytics Lab (SEAL) 329 Audio Visual Support 329 Multi-Level Security 331 Enterprise Integration 331 Community of Practice 332 Summary 333 14 Using an Ontology to Design a Wargame/Simulation System 335Dean S. Hartley, III Motivation and Overview 335 Introduction 336 A Modern Conflict Ontology 337 An Introduction to the MCO 337 Actors 338 Objects 339 Actions 340 Metrics or State Variables 342 MCO Examples 343 Provenance of the MCO 346 Knowledge of Warfare 346 Knowledge of OOTWs 346 Modeling Issues 347 Precursor Ontologies 348 Early Versions of the MCO 349 Creating a Simulation/Wargame from the Ontology 349 Model Building Steps 350 Moving from the Ontology to the Conceptual Model 352 Building Block Concept 354 Agendas and Implicit Metric Models 356 Theoretical Metric Models 357 VV&A 358 Constructing the Scenario 361 Model Infrastructure 361 Conclusion 362 15 Agent-Driven End Game Analysis for Air Defense 367M. Fatih Hocaogl̆ u Motivation and Overview 367 Introduction 367 Related Studies 369 Agent- Directed Simulation and AdSiF 371 AdSiF: Agent Driven Simulation Framework 373 End Game Agent 374 Command and Control Agent 374 C2 Architecture and Information Sharing 379 Target Evaluation 379 Fire Decision 380 Fire Doctrine 381 Decision-Level Data Fusion 382 Aims and Performance Measurement 384 Types of End Game Analysis 388 Footprint Analysis 390 Operating Area 394 Defended Area Analysis 395 Scenario View 397 Online Analysis and Scenario Replication Design 397 An Air Defense Scenario: Scenario View 398 Discussions 402 Epilogue 407 Index 411

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Book SynopsisThis book on advanced functional textiles and polymers will offer a comprehensive view of cutting-edge research in newly discovered areas such as flame retardant textiles, antimicrobial textiles, insect repellent textiles, aroma textiles, medical-textiles, smart textiles, and nano-textiles etc. The second part the book provides innovative fabrication strategies, unique methodologies and overview of latest novel agents employed in the research and development of functional polymers.Table of ContentsPreface xvii 1 Flame Retarded Cotton Fabrics: Current Achievements, Open Challenges, and Future Perspectives 1Giulio Malucelli 1.1 Introduction 2 1.2 Textile Finishing with Sol–Gel Treatments 8 1.2.1 Fully Inorganic Systems 10 1.2.2 Phosphorus-Doped Sol–Gel Coatings 13 1.2.3 Hybrid Organic–Inorganic Sol–Gel Coatings 14 1.3 Textile Finishing with Layer-by-Layer Assemblies 17 1.3.1 Fully Inorganic LbL Assemblies on Cotton 18 1.3.2 Intumescent LbL Assemblies on Cotton 19 1.3.3 Hybrid LbL Assemblies on Cotton 23 1.4 Current Limitations of Sol–Gel and Layer-by-Layer Treatments 25 1.5 Conclusions and Future Perspectives 26 Acknowledgments 27 References 27 2 UV Protective Clothing 33Anu Mishra and Bhupendra Singh Butola 2.1 Introduction 33 2.2 Harmful Effects of UV Radiations on Skin 34 2.2.1 Short-Term Effects 37 2.2.2 Long-Term Effects 38 2.3 Environmental Factors Influencing UV Level on Earth 39 2.3.1 Effect of Ozone Layer Depletion 40 2.3.2 Solar Elevation (Height of the Sun in the Sky) 40 2.3.3 Latitude and Altitude 40 2.3.4 Cloud Cover and Haze 41 2.3.5 Ground Reflection 41 2.4 Effect of Physical and Chemical Characteristics of Textile Materials on UV Protection 42 2.4.1 Effect of Physical Parameters 43 2.4.1.1 Yarn Structural Parameters 43 2.4.1.2 Fabric Structural Parameters 43 2.4.2 Effect of Chemical Parameters 44 2.4.2.1 Effect of Fiber Chemistry 44 2.4.2.2 Effect of Chemical Processing (Bleaching, Dyeing, and Other Finishing Chemicals) 45 2.5 Type of UV Finishes, Their Working Mechanism, and Limitations 46 2.5.1 Organic UV Absorbers 46 2.5.2 Inorganic UV Blockers 49 2.6 Application Methods of UV Finish in Textiles 50 2.7 Test Methods for Quantitative Assessment of UV Protection of Textiles 54 2.7.1 In Vitro 56 2.7.2 In Vivo 57 2.8 Summary 57 References 58 3 Potential of Textile Structure Reinforced Composites for Automotive Applications 65Vikas Khatkar, R. N. Manjunath, Sandeep Olhan and B. K. Behera 3.1 Introduction 66 3.2 Materials for Automotive 68 3.2.1 Metallic Materials in Automotive 68 3.2.1.1 Steel 68 3.2.1.2 Aluminum 68 3.2.1.3 Magnesium 69 3.2.2 Composite Materials for Automotives 70 3.2.2.1 Natural Fiber Reinforcement Polymer Composites 71 3.2.2.2 Advance Fiber-Based Composite 73 3.2.3 Advantage of Composite Over Conventional Materials 75 3.2.3.1 Lightweight 75 3.2.3.2 Crashworthiness 78 3.2.3.3 Joining 79 3.2.3.4 Recycling 79 3.3 Textile Materials for Automotive 80 3.3.1 Textile Structural Composites for Automotive 82 3.3.1.1 3D Fabrics as New Solutions for Transportation Applications 84 3.4 Potential Automotive Parts to be Replaced with Textile Structural Composites 85 3.4.1 Automotive Interiors 85 3.4.2 Exterior Body Panels 87 3.4.2.1 Car Hoods (Bonnet) 87 3.4.2.2 Bumpers 88 3.4.2.3 Door Panels 90 3.4.3 Structural Components 90 3.4.3.1 Leaf Spring 91 3.5 Lightweight Solution for Electric Car 93 3.6 Conclusion 93 References 94 4 Biotechnology Applications in Textiles 99Lalit Jajpura 4.1 Introduction 100 4.2 Adverse Effects of Industrial Farm Practices in Cotton Cultivation 101 4.2.1 Adverse Effect of Synthetic Fertilizers 101 4.2.2 Adverse Effect of Synthetic Pesticides 102 4.2.3 Adverse Effect of Excessive Irrigation 103 4.3 Application of Biotechnology in Cotton Cultivation 103 4.3.1 Gene Construction and Transformation 104 4.3.2 Bt Cotton 105 4.4 Wet Processing of Cotton and Its Environmental Impact 105 4.5 Enzyme and Its Properties 106 4.6 Classification of Enzymes 107 4.7 Enzymatic Bioprocessing of Cotton 108 4.7.1 Desizing 108 4.7.2 Enzymatic Desizing 109 4.7.2.1 Amylase (E.C. 3.2.1.1) 109 4.7.2.2 Lipase (EC 3.1.1.3) 109 4.7.3 Scouring 110 4.7.4 Enzymatic Scouring 110 4.7.4.1 Pectinase (EC 3.2.1.15) 110 4.7.4.2 Lipase (EC 3.1.1.3) 111 4.7.4.3 Cellulase (EC 3.2.1.4) 111 4.7.4.4 Cutinase (EC 3.1.1.74) 111 4.7.4.5 Xylanase (EC 3.2.1.8) 112 4.7.5 Enzymatic Bleaching 112 4.7.5.1 Laccase (E.C. 1.10.3.2) 113 4.8 Enzymatic Hydrogen Peroxide Removal by Catalase 113 4.8.1 Catalase (E.C. 1.11.1.6) 114 4.9 Biopolishing of Cotton 114 4.10 Enzymatic Fading of Denim 114 4.11 Application of Biotechnology in Wool Production and its Wet Processing 115 4.12 Enzymatic Bioprocessing of Wool 115 4.12.1 Enzymatic Carbonization of Wool 115 4.12.2 Enzymatic Scouring of Wool 116 4.12.2.1 Protease (EC 3.4.21.112) 116 4.12.3 Enzymatic Finishing of Wool 116 4.13 Application of Biotechnology in Sericulture and Wet Processing of Silk 117 4.14 Enzymatic Bioprocessing of Silk 117 4.15 Application of Biotechnology in Sustainable Finishing 118 4.16 Application of Enzyme Immobilization Techniques in Reuse of Enzymes 119 4.17 Conclusion 119 References 120 5 Environmental Issues in Textiles 129Rishabh Kumar Saran, Raj Kumar and Shashikant Yadav 5.1 Introduction 130 5.2 Textile Fiber 130 5.3 Processes in the Textile Industry 131 5.4 Key Environmental Issues 134 5.4.1 Supply Water 134 5.4.2 Chlorinated Solvents 137 5.4.3 Hydrocarbon Solvents—Aliphatic Hydrocarbons 137 5.4.4 Hydrocarbon Solvents—Aromatic Hydrocarbons 138 5.4.5 Oxygenated Solvents (Alcohols/Glycols/Ethers/Esters/Ketones/Aldehydes) 138 5.4.6 Grease and Oil Impregnated Wastes 139 5.4.7 Used Oils 139 5.4.8 Dyestuffs and Pigments Containing Dangerous Substances 140 5.4.9 Heat and Energy Generation From Textile Industry Waste 140 5.4.10 Carbon Footprint of a Textile Product 143 5.5 Environmental Impact of Textile Industry Wastewater 144 5.6 Environmental Legislation 146 References 146 6 Water Saving Technologies for Textile Chemical Processing 153Nagender Singh 6.1 Introduction 154 6.1.1 Indian Textile Industry 155 6.1.2 Water Consumption in Textile Processing 157 6.2 Technologies for Water Saving in Textile Chemical Processing 158 6.2.1 Process Optimization Techniques 158 6.2.2 Emerging Water-Saving Wet Processing Technologies 160 6.2.3 Low Liquor Technologies 165 6.3 Conclusion 166 References 167 7 Photocatalytic Dye Degradation Using Modified Titania 171Waseem Raza and Mohd Faraz 7.1 Introduction 172 7.1.1 Discovery of Photocatalysis: A Short Historical Overview 174 7.1.2 Photocatalytic Mechanism 175 7.1.3 Mechanism Under Visible Light Irradiation 176 7.1.4 Direct Mechanism for Dye Degradation 178 7.1.5 Our Research Focus 179 7.2 Photocatalytic Application 180 7.2.1 Degradation of Methylene Blue Using Fe-Doped TiO2 180 7.2.2 Degradation of Acid Yellow 29 Using La and Mo-Doped TiO2 Carbon Sphere (CS) 181 7.2.3 Degradation of Coomassie Brilliant Blue G250 Using La and Mo-Doped TiO2 Carbon Sphere 182 7.2.4 Degradation of Acid Green 25 Using La and Mo-Doped TiO2 Carbon Sphere 184 7.2.5 Degradation of Acid Yellow 29 Using Ce and Mn-Doped TiO2 Carbon Sphere 185 7.2.6 Degradation of Acid Green 25 Using Ce and Mn-Doped TiO2 Carbon Sphere 186 7.2.7 Degradation of Barbituric Acid and Matrinidazole in Using Undoped and Ni-Doped TiO2 188 7.3 Factors Affecting the Degradation of Organic Pollutants 190 7.3.1 Effect of pH 190 7.3.2 Effect of Photocatalyst Loading 191 7.3.3 Effect of Calcination Temperature 192 7.3.4 Effect of Reaction Temperature 193 7.3.5 Effect of Inorganic Ions 193 7.4 Conclusions 195 References 195 8 Advanced Approaches for Remediation of Textile Wastewater: A Comparative Study 201Shumaila Kiran, Sofia Nosheen, Shazia Abrar, Fozia Anjum, Tahsin Gulzar and Saba Naz 8.1 Introduction 202 8.1.1 Textile Wastewater 202 8.1.2 Characteristics of Textile Wastewater 202 8.1.3 Damages Caused by Textile Effluent 202 8.1.4 Ecological Balance and Environmental Issue 204 8.1.5 Need for the Treatment 204 8.1.6 Standards of Textile Industry for Water Contaminants 206 8.2 Treatment Methods for Textile Effluent 207 8.2.1 Dealings to Control Water Contamination 207 8.2.2 Physical Methods 208 8.2.2.1 Screening 208 8.2.2.2 Coagulation–Flocculation Treatments 209 8.2.2.3 Sedimentation 210 8.2.2.4 Equalization or Homogenization 211 8.2.2.5 Floatation 211 8.2.2.6 Adsorption 212 8.2.2.7 Membrane Processes 214 8.2.3 Chemical Methods 219 8.2.3.1 Chemical Precipitation 219 8.2.3.2 Neutralization 220 8.2.3.3 Electro Chemical Process 220 8.2.3.4 Oxidation Methods 221 8.2.3.5 Ion Exchange Process 226 8.2.4 Biological Methods 229 8.2.4.1 Efficiency of Biological Methods 232 8.2.4.2 Bacterial Decolorization of Dyes 232 8.2.4.3 Dye Degradation by Fungal Cultures 234 8.2.4.4 Algae for Degradation of Dyes 236 8.2.4.5 Microbial Fuel Cell 238 8.3 Sequential Method for Textile Effluent Treatment 240 8.3.1 Levels of Textile Effluent Treatments 241 8.3.1.1 Preliminary Treatment 241 8.3.1.2 Primary Treatment 242 8.3.1.3 Secondary Treatment 243 8.3.1.4 Tertiary Treatment 245 8.4 Conclusion 247 References 247 9 Polymer-Supported Nanocomposite-Based Nanomaterials for Removal and Recovery of Pollutants and Their Application in Bio-Electrochemical System 265Abdul Hakeem Anwer, Nishat Khan, Mohammad Shahadat, Mohammad Zain Khan, Ziauddin Ahammad Shaikh and Syed Wazed Ali 9.1 Introduction 266 9.1.1 Reason for Selection of Polyaniline-Based Nanocomposite Material 268 9.1.2 Synthesis of PANI Based Nanocomposite 269 9.1.2.1 Sol–Gel Methode 274 9.1.2.2 Hydrothermal Method 274 9.1.2.3 Chemical Reduction Method 274 9.1.2.4 Chemical In Situ Polymerization Method 275 9.1.3 Treatment of Wastewater Using Bioelectrochemical System 275 9.1.3.1 Microbial Fuel Cell 276 9.1.3.2 MEC System 279 9.1.3.3 Electrode Material 279 9.1.4 Polyaniline-Supported Electrodic Material for MFC/MEC 281 9.2 Conclusion 282 Acknowledgments 283 References 283 10 Reactive and Functional Polymers 291Tanvir Arfin 10.1 Introduction 291 10.2 Types of Textiles 293 10.3 Location of Textile Industries in India 293 10.4 Role of Polymer 294 10.4.1 Chitosan 294 10.4.2 Starch 295 10.4.3 Gelatin 296 10.4.4 Cellulose 297 10.4.5 Protein 298 10.4.6 MWCNT 298 10.4.7 Dendrimer 299 10.4.8 Polystyrene 299 10.4.9 Nylon-6,6 300 10.4.10 Polyaniline 300 10.4.11 Polyvinyl Alcohol 301 10.5 Conclusion 301 References 302 11 Fabrication and Biomedical Applications of Polyvinyl-Alcohol-Based Nanocomposites with Special Emphasis on the Anti-Bacterial Applications of Metal/Metal Oxide Polymer Nanocomposites 309Shahnawaz Ahmad Bhat, Fahmina Zafar, Azar Ullah Mirza, Abdulrahman Mohammad, Paramjit Singh and Nahid Nishat 11.1 Introduction 310 11.2 Scope of the Chapter 312 11.3 Metal/Metal Oxide Nanoparticles 313 11.3.1 Preparation of Metal Oxide Nanoparticles 314 11.3.1.1 Co-Precipitation Method 314 11.3.1.2 Hydrothermal Technique 314 11.3.1.3 Micro-Emulsion Method 315 11.3.1.4 Sol–Gel Method 315 11.4 Nanocomposite 316 11.4.1 Preparation of Nanocomposite 318 11.4.1.1 Ex Situ Method 318 11.4.1.2 In Situ Method 318 11.5 Biomedical Applications of Nanocomposite 319 11.5.1 Anticancer Application 320 11.5.2 Antibacterial Application 320 11.6 Conclusions 325 Acknowledgments 326 References 326 12 Preparation, Classification, and Applications of Smart Hydrogels 337Ali Akbar Merati, Nahid Hemmatinejad, Mina Shakeri and Azadeh Bashari 12.1 Introduction 337 12.2 Preparation and Characterization of Smart Hydrogels 339 12.2.1 Preparation of Smart Hydrogels 339 12.2.2 Characterization of Smart Hydrogels 341 12.3 Classifications of Smart Hydrogels 344 12.3.1 Physical Stimuli-Responsive Hydrogels 345 12.3.2 Chemical Stimuli-Responsive Hydrogels 346 12.3.3 Biochemical Stimuli-Responsive Hydrogels 347 12.4 Applications of Smart Hydrogels 348 12.4.1 Drug Delivery Systems 349 12.4.2 Injectable Hydrogels 350 12.4.3 Tissue Engineering 351 12.4.4 Smart Hydrogels as Actuators 351 12.4.5 Sensors 351 12.4.6 Self-Healing 352 12.5 Smart Hydrogel-Functionalized Textile Systems 353 12.6 Electrospinning of Smart Hydrogels 355 12.7 Future Trends of Smart Hydrogels 356 12.8 Conclusions 357 References 357 13 Potential Applications of Chitosan Nanocomposites: Recent Trends and Challenges 365Tara Chand Yadav, Pallavi Saxena, Amit Kumar Srivastava, Amit Kumar Singh, Ravi Kumar Yadav, Harish, R. Prasad and Vikas Pruthi 13.1 Introduction 366 13.2 Synthetic Routes for the Preparation of Nanocomposites of Chitosan 368 13.2.1 General Synthetic Routes 368 13.2.2 Physical Methods 369 13.2.2.1 Photochemical Methods (UV, Near-IR), Radiolysis, and Sonochemistry 370 13.2.3 Chemical Method 370 13.2.3.1 Borohydride Reduction 371 13.2.3.2 Citrate Reduction 372 13.2.4 Seeding-Growth Method 372 13.2.5 Biosynthesis Methods 372 13.3 Applications of Chitosan Nanocomposites 373 13.3.1 Chitosan Treatment of Textiles 373 13.3.1.1 Wool 374 13.3.1.2 Silk 375 13.3.1.3 Cotton 376 13.3.2 Textile Functionalities Achieved 376 13.3.2.1 Antimicrobial and Enriched Dyeing Properties 376 13.3.2.2 Wrinkle Proof Resistance 378 13.3.3 Effluent Treatment Applications 378 13.3.4 Bioremediation 379 13.4 Biomedical Application 380 13.4.1 Drug Delivery 380 13.4.2 Wound Healing 381 13.4.2.1 Scaffolds Ingrained with Chitosan/Natural/Synthetic Graft for Wound Healing 381 13.4.2.2 Composite Chitosan Graft Scaffoldings for Wound Healing 382 13.4.2.3 Chitosan–Oil Ingrained Grafts for Wound Healing 384 13.4.2.4 Plant Extract Ingrained Chitosan Film Scaffoldings for Wound Healing 384 13.4.2.5 Modified Chitosan Products for Wound Healing 385 13.4.2.6 Toxicological Assessment of Tri-Methyl Chitosan 385 13.4.2.7 Effect of Trimethyl Chitosan in Wound Healing 385 13.4.2.8 Impact of Carboxymethyl Chitosan and Carboxymethyl-Trimethyl Chitosan 386 13.4.2.9 Peptides Conjugates-Chitosan/Derivatives for Wound Healing 386 13.4.2.10 Commercial Dressing Bandages of Chitosan Blend 387 13.5 Future Prospects 388 References 389 14 Use of Polymer Nanocomposites in Asphalt Binder Modification 405Saqib Gulzar and Shane Underwood 14.1 Introduction 405 14.2 Background 407 14.2.1 Asphalt Binders 408 14.2.2 Asphalt Modification 411 14.2.3 Comparative Analysis 413 14.3 Polymer Nanocomposites 415 14.3.1 Polymers and Nanomaterials 415 14.3.2 Polymer Nanocomposites (PNC) 416 14.3.2.1 PNC Blended Systems 417 14.3.2.2 PNC Integrated Systems 417 14.4 Rheological Impacts 418 14.4.1 Measures for Polymer Modified and Nano Modified Asphalt Binder Systems 418 14.4.2 Measures with PNC Modified Asphalt 421 14.5 Suggested Evaluation Method for PNC Modified Asphalt Binders 427 14.6 Summary 428 References 428 Index 433

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Book SynopsisProvides a significant update to the definitive book on aircraft system design This book is written for anyone who wants to understand how industry develops the customer requirement for aircraft into a fully integrated, tested, and qualified product that is safe to fly and fit for purpose. The new edition of Design and Development of Aircraft Systems fully expands its already comprehensive coverage to include both conventional and unmanned systems. It also updates all chapters to bring them in line with current design practice and technologies taught in courses at Cranfield, Bristol, and Loughborough universities in the UK. Design and Development of Aircraft Systems, 3rd Edition begins with an introduction to the subject. It then introduces readers to the aircraft systems (airframe, vehicle, avionic, mission, and ground systems). Following that comes a chapter on the design and development process. Other chapters look at design drivers, Table of ContentsAbout the Authors xiii Series Preface xv Acknowledgements xvii Glossary of Terms xix 1 Introduction 1 1.1 General 1 1.2 Systems Development 3 1.3 Skills 8 1.4 Human Aspects 9 1.4.1 Introduction 9 1.4.2 Design Considerations 10 1.4.3 Legislation 12 1.4.4 Summary of Legal Threats 12 1.4.5 Conclusions 13 1.5 Overview 14 Exercises 17 References 17 Further Reading 17 2 The Aircraft Systems 19 2.1 Introduction 19 2.2 Definitions 19 2.3 Everyday Examples of Systems 21 2.4 Aircraft Systems of Interest 24 2.4.1 Airframe Systems 28 2.4.2 Vehicle Systems 28 2.4.3 Interface Characteristics of Vehicle Systems 30 2.4.4 Avionics Systems 31 2.4.5 Interface Characteristics of Vehicle and Avionics Systems 31 2.4.5.1 Vehicle Systems 32 2.4.5.2 Avionics Systems 32 2.4.6 Mission Systems 32 2.4.7 Interface Characteristics of Mission Systems 33 2.5 Ground Systems 33 2.6 Generic System Definition 34 Exercises 37 References 37 Further Reading 37 3 The Design and Development Process 39 3.1 Introduction 39 3.2 Definitions 39 3.3 The Product Lifecycle 41 3.4 Concept Phase 46 3.4.1 Engineering Process 48 3.4.2 Engineering Skills 48 3.5 Definition Phase 50 3.5.1 Engineering Process 52 3.5.2 Engineering Skills 53 3.6 Design Phase 56 3.6.1 Engineering Process 56 3.6.2 Engineering Skills 57 3.7 Build Phase 58 3.7.1 Engineering Process 59 3.7.2 Engineering Skills 59 3.8 Test Phase 60 3.8.1 Engineering Process 60 3.8.2 Engineering Skills 60 3.9 Operate Phase 61 3.9.1 Engineering Process 62 3.9.2 Engineering Skills 63 3.10 Disposal or Retirement Phase 63 3.10.1 Engineering Process 65 3.10.2 Engineering Skills 65 3.11 Refurbishment Phase 65 3.11.1 Engineering Process 66 3.11.2 Engineering Skills 66 3.12 Whole Lifecycle Tasks 66 3.13 Summary 67 Exercises 69 References 70 Further Reading 70 4 Design Drivers 73 4.1 Introduction 73 4.2 Design Drivers in the Business Environment 75 4.2.1 Customer 76 4.2.2 Market and Competition 76 4.2.3 Capacity 77 4.2.4 Financial Issues 77 4.2.5 Defence Policy 78 4.2.6 Leisure and Business Interests 78 4.2.7 Politics 79 4.2.8 Technology 79 4.2.9 Global Economy 80 4.3 Design Drivers in the Project Environment 80 4.3.1 Standards and Regulations 80 4.3.2 Availability 81 4.3.3 Cost 81 4.3.4 Programme 82 4.3.5 Performance 82 4.3.6 Skills and Resources 82 4.3.7 Health, Safety, and Environmental Issues 83 4.3.8 Risk 84 4.4 Design Drivers in the Product Environment 84 4.4.1 Functional Performance 84 4.4.2 Human–Machine Interface 85 4.4.3 Crew and Passengers 86 4.4.4 Stores and Cargo 86 4.4.5 Structure 87 4.4.6 Safety 87 4.4.7 Quality 87 4.4.8 Environmental Conditions 87 4.5 Design Drivers in the Product Operating Environment 88 4.5.1 Heat 88 4.5.2 Noise 89 4.5.3 RF Radiation 89 4.5.4 Solar Energy 90 4.5.5 Altitude 91 4.5.6 Temperature 91 4.5.7 Contaminants, and Destructive and Hazardous Substances 92 4.5.8 Lightning 92 4.5.9 Nuclear, Biological, and Chemical Contamination 92 4.5.10 Vibration 93 4.5.11 Shock 93 4.6 Interfaces with the Sub-system Environment 93 4.6.1 Physical Interfaces 94 4.6.2 Power Interfaces 94 4.6.3 Data Communication Interfaces 95 4.6.4 Input/Output Interfaces 95 4.6.5 Status/Discrete Data 95 4.7 Obsolescence 96 4.7.1 Introduction 96 4.7.2 The Threat of Obsolescence in the Product Lifecycle 97 4.7.2.1 Requirements Specification 98 4.7.2.2 People 99 4.7.2.3 Regulations 101 4.7.2.4 Design, Development, and Manufacture 101 4.7.2.5 The Supply Chain 103 4.7.3 Managing Obsolescence 103 4.8 Ageing Aircraft 106 4.8.1 Introduction 106 4.8.2 Some Examples 107 4.8.3 Systems Issues 108 4.8.4 Certification Issues 109 Exercises 109 References 110 Further Reading 110 5 System Architectures 113 5.1 Introduction 113 5.2 Definitions 114 5.3 System Architectures 115 5.3.1 Vehicle Systems 117 5.3.2 Avionic Systems 118 5.3.3 Mission Systems 118 5.3.4 Cabin Systems 119 5.3.5 Data Bus 119 5.4 Architecture Modelling and Trade-off 120 5.5 Example of a Developing Architecture 123 5.6 Evolution of Avionics Architectures 126 5.6.1 Distributed Analogue Architecture 127 5.6.2 Distributed Digital Architecture 128 5.6.3 Federated Digital Architecture 130 5.6.4 Integrated Modular Architecture 132 5.7 Example Architectures 135 5.7.1 Example 1: System Architecture 135 5.7.2 Example 2: Flight Control System 136 5.7.3 Example 3: Radar System 138 5.7.4 Example 4: Vehicle Systems Management 139 Exercises 149 References 149 Further Reading 149 6 System Integration 151 6.1 Introduction 151 6.2 Definitions 153 6.3 Examples of System Integration 153 6.3.1 Integration at the Component Level 153 6.3.2 Integration at the System Level 154 6.3.3 Integration at the Process Level 160 6.3.4 Integration at the Functional Level 163 6.3.5 Integration at the Information Level 166 6.3.6 Integration at the Prime Contractor Level 166 6.3.7 Integration Arising from Emergent Properties 167 6.3.8 Further Examples of Integrated Systems 169 6.3.8.1 The Airframe 169 6.3.8.2 Propulsion 171 6.3.8.3 Air Systems 171 6.4 System Integration Skills 172 6.5 Management of System Integration 175 6.5.1 Major Activities 175 6.5.2 Major Milestones 175 6.5.3 Decomposition and Definition Process 178 6.5.4 Integration and Verification Process 178 6.5.5 Component Engineering 178 6.6 Highly Integrated Systems 178 6.6.1 Integration of Primary Flight Control Systems 179 6.7 Discussion 182 Exercises 184 References 186 Further Reading 186 7 Verification of System Requirements 187 7.1 Introduction 187 7.2 Gathering Qualification Evidence in the Lifecycle 189 7.3 Test Methods 191 7.3.1 Inspection of Design 192 7.3.2 Calculation 192 7.3.3 Analogy 193 7.3.4 Modelling and Simulation 193 7.3.4.1 Modelling Techniques 197 7.3.5 Test Rigs 206 7.3.6 Environmental Testing 207 7.3.7 Integration Test Rigs 207 7.3.8 Aircraft Ground Testing 209 7.3.9 Flight Test 210 7.3.10 Trials 211 7.3.11 Operational Test 212 7.3.12 Demonstrations 212 7.4 An Example Using a Radar System 212 7.5 Summary 214 Exercises 215 References 215 Further Reading 216 8 Practical Considerations 217 8.1 Introduction 217 8.2 Stakeholders 218 8.2.1 Identification of Stakeholders 218 8.2.2 Classification of Stakeholders 219 8.3 Communications 220 8.3.1 The Nature of Communication 222 8.3.2 Examples of Organisation Communication Media 223 8.3.2.1 Mechanisms for Generating Information 225 8.3.2.2 Unauthorised Access 225 8.3.2.3 Data Storage and Access 226 8.3.2.4 Data Discipline 227 8.3.3 The Cost of Poor Communication 227 8.3.4 A Lesson Learned 228 8.4 Giving and Receiving Criticism 230 8.4.1 The Need for Criticism in the Design Process 230 8.4.2 The Nature of Criticism 230 8.4.3 Behaviours Associated with Criticism 231 8.4.4 Conclusions 232 8.5 Supplier Relationships 232 8.6 Engineering Judgement 234 8.7 Complexity 234 8.8 Emergent Properties 235 8.9 Aircraft Wiring and Connectors 236 8.9.1 Aircraft Wiring 236 8.9.2 Aircraft Breaks 237 8.9.3 Wiring Bundle Definition 238 8.9.4 Wiring Routing 239 8.9.5 Wiring Sizing 239 8.9.6 Aircraft Electrical Signal Types 241 8.9.7 Electrical Segregation 242 8.9.8 The Nature of Aircraft Wiring and Connectors 242 8.9.9 Use of Twisted Pairs and Quads 244 8.10 Bonding and Grounding 246 Exercise 248 References 248 Further Reading 248 9 Configuration Control 249 9.1 Introduction 249 9.2 Configuration Control Process 249 9.3 A Simple Portrayal of a System 250 9.4 Varying System Configurations 252 9.4.1 System Configuration A 252 9.4.2 System Configuration B 253 9.4.3 System Configuration C 254 9.5 Forwards and Backwards Compatibility 255 9.5.1 Forwards Compatibility 255 9.5.2 Backwards Compatibility 256 9.6 Factors Affecting Compatibility 256 9.6.1 Hardware 257 9.6.2 Software 257 9.6.3 Wiring 258 9.7 System Evolution 258 9.8 Configuration Control 259 9.8.1 Airbus A380 Example 261 9.9 Interface Control 264 9.9.1 Interface Control Document 264 9.9.2 Aircraft-level Data Bus Data 266 9.9.3 System Internal Data Bus Data 266 9.9.4 Internal System Input/Output Data 267 9.9.5 Fuel Component Interfaces 267 9.10 Control of Day-to-Day Documents 267 Exercise 268 10 Aircraft System Examples 269 10.1 Introduction 269 10.2 Design Considerations 269 10.3 Safety and Economic Considerations 271 10.4 Failure Severity Categorisation 272 10.5 Design Assurance Levels 272 10.6 Redundancy 273 10.6.1 Architecture Options 274 10.6.1.1 Simplex Architecture 274 10.6.1.2 Duplex Architecture 276 10.6.1.3 Dual/Dual Architecture 276 10.6.1.4 Triplex Architecture 276 10.6.1.5 Quadruplex Architecture 276 10.6.2 System Examples 277 10.6.2.1 Major Systems Event 277 10.6.2.2 Flight Critical Event 278 10.7 Integration of Aircraft Systems 280 10.7.1 Engine Control System 282 10.7.2 Flight Control System 283 10.7.3 Attitude Measurement System 284 10.7.4 Air Data System 284 10.7.5 Electrical Power System 285 10.7.6 Hydraulic Power System 286 10.8 Integration of Avionics Systems 287 References 290 11 Integration and Complexity: The Potential Impact on Flight Safety 291 11.1 Introduction 291 11.2 Integration 291 11.3 Complexity 294 11.4 Automation 298 11.5 Impact on Flight Safety Discussion 299 11.6 Single-pilot Operations 302 11.7 Postscript: Chaos Discussion 303 Exercises 307 References 307 Further Reading 308 12 Key Characteristics of Aircraft Systems 309 12.1 Introduction 309 12.2 Aircraft Systems 311 12.3 Avionics Systems 326 12.4 Mission Systems 336 12.5 Sizing and Scoping Systems 343 12.6 Analysis of the Fuel Penalties of Aircraft Systems 345 12.6.1 Introduction 345 12.6.2 Basic Formulation of Fuel Weight Penalties of Systems 346 12.6.3 Application of Fuel Weight Penalties Formulation for Multi-phase Flight 349 12.6.4 Analysis of Fuel Weight Penalties Formulation for Multi-phase Flight 350 12.6.5 Use of Fuel Weight Penalties to Compare Systems 350 12.6.6 Determining Input Data for Systems Weight Penalties Analysis 351 12.6.6.1 Lift/Drag Ratio 351 12.6.6.2 Specific Fuel Consumption 352 12.6.6.3 System Mass 352 12.6.6.4 System Drag Increase 352 12.6.6.5 Increase in sfc Due to Systems Power Off-takes 352 Nomenclature 354 References 354 13 Conclusions 357 13.1 What’s Next? 359 13.2 A Historical Footnote 361 References 362 Index 363

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Book SynopsisOrganogermanium Compounds Understand the chemistry of organogermanium compounds with this thorough and cutting-edge reference Discovered comparatively late in the history of chemistry, germanium has become one of the most technology-critical elements in modern industry. Germanium and its inorganic and organic derivatives found widespread applications in fiber- and infrared-optics, electronics, polymerization catalysis, solar electric technology, nanotechnology, chemotherapy, and more. Organogermanium compounds containing carbon to germanium chemical bonds, have applications in microelectronics, medicinal and health industries, and beyond. Organogermanium Compounds: Theory, Experiment, and Applications, 2 Volume Set provides a comprehensive review of this class of compounds in two thorough volumes. It covers all modern aspects of these critically important compounds, including theoretical, synthetic, physico-chemical, and applied research. Reflecting the lTable of ContentsVolume 1 Preface ix List of Contributors 1 Computational and Theoretical Aspects of Structure and Bonding in Doubly Bonded Organogermanium Compounds 1Miriam Karni and Yitzhak Apeloig 2 Organogermanium Compounds of the Main Group Elements 103Kirill V. Zaitsev 3 Transition Metal Complexes of Germanium 195Kohtaro Osakada 4 Germanium Cages and Clusters 225Tanja Kunz and Andreas Schnepf 5 Arylgermanium Hydrides, Ar n GeH 4-n (n = 1–3) - Synthesis, Characterization, Reactivity 277Ana Torvisco and Frank Uhlig 6 Germylium Ions and Germylium Ion-like Species 299Thomas Müller 7 Germanium-Containing Radicals 339Alexander Hinz and Frank Breher 8 Germanium-Centered Anions 361Christoph Marschner 9 Germylenes 387Norio Nakata xiii 10 Multiple Bonds to Germanium 435Vladimir Ya. Lee Volume 2 Preface vii List of Contributors xi 11 Germaaromatic Compounds 477Yoshiyuki Mizuhata and Norihiro Tokitoh 12 Germanium-centered Ion Radicals 507Mikhail P. Egorov, Viatcheslav V. Jouikov, Elena N. Nikolaevskaya, and Mikhail A. Syroeshkin 13 Donor-acceptor Stabilization of Species with Low-coordinate Germanium 561Sakya S. Sen and Herbert W. Roesky 14 Synthesis of the Penta- and Hexacoordinate Germanium(IV) Complexes 597Naokazu Kano 15 Dynamic Stereochemistry of Penta- and Hexacoordinate Germanium(IV) Complexes 629Vadim V. Negrebetsky and Alexander A. Korlyukov 16 X-ray Crystallography of Organogermanium Compounds 667Catherine Hemmert and Heinz Gornitzka 17 Organogermanium Photochemistry 745William J. Leigh 18 Oligo- and Polygermanes 787Charles S. Weinert 19 Bioorganic and Medicinal Organogermanium Chemistry 839Takashi Nakamura, Yasuhiro Shimada, and Katsuyuki Sato Index 867

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Book SynopsisRoot Cause Failure Analysis Provides the knowledge and failure analysis skills necessary for preventing and investigating process equipment failuresProcess equipment and piping systems are essential for plant availability and performance. Regularly exposed to hazardous service conditions and damage mechanisms, these critical plant assets can result in major failures if not effectively monitored and assessedpotentially causing serious injuries and significant business losses. When used proactively, Root Cause Failure Analysis (RCFA) helps reliability engineers inspect the process equipment and piping system before any abnormal conditions occur. RCFA is equally important after a failure happens: it determines the impact of a failure, helps control the resultant damage, and identifies the steps for preventing future problems.Root Cause Failure Analysis: A Guide to Improve Plant Reliability offers readers clear understanding of degradation mechanisms of procesTable of ContentsPart- A 1- Introduction 2-What Is Root Cause Analysis 3-Failure Analysis Process 4-Managing Human Error and Latent Error Part-B 5- Metallurgical Failure Analysis 6- Piping Failure -Causes and Cure 7-Bolted Joint Failure 8- Coupling Failure 9-Bearing Failure 10- Mechanical Seal Failure 11-Failure of Centrifugal Pump 12- Failure of Reciprocating Pump 13- Failure of Centrifugal Compressor 14- Failure of Reciprocating Compressor 15-Lubrication Related Failure 16-Steam Trapfailure 17- Proactive Measures to Avoid Failure

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Book SynopsisMICROBIAL INTERACTIONS AT NANOBIOTECHNOLOGY INTERFACES This book covers a wide range of topics including synthesis of nanomaterials with specific size, shape, and properties, structure-function relationships, tailoring the surface of nanomaterials for improving the properties, interaction of nanomaterials with proteins/microorganism/eukaryotic cells, and applications in different sectors. This book also provides a strong foundation for researchers who are interested to venture into developing functionalized nanomaterials for any biological applications in their research. Practical concepts such as modelling nanomaterials, and simulating the molecular interactions with biomolecules, transcriptomic or genomic approaches, advanced imaging techniques to investigate the functionalization of nanomaterials/interaction of nanomaterials with biomolecules and microorganisms are some of the chapters that offer significant benefits to the researchers.Table of ContentsPreface xi List of Contributors xiii 1 Shape- and Size-Dependent Antibacterial Activity of Nanomaterials 1Senthilguru Kulanthaivel and Prashant Mishra 1.1 Introduction 1 1.2 Synthesis of Nanomaterials 3 1.3 Classification of NMs 4 1.3.1 Classification Based on Dimensions 5 1.3.1.1 Zero-Dimensional NMs 5 1.3.1.2 One-Dimensional NMs 6 1.3.1.3 Two-Dimensional NMs 6 1.3.1.4 Three-Dimensional NMs 6 1.3.2 Classification Based on Chemical Compositions 7 1.3.2.1 Carbon-Based NMs 7 1.3.2.2 Organic-Based NMs 7 1.3.2.3 Inorganic-Based NMs 8 1.3.3 Classification Based on Origin 9 1.4 Application of NMs 9 1.4.1 Advanced Application of NMs as Antimicrobial Agents 9 1.5 Bacterial Resistance to Antibiotics 10 1.5.1 Mechanism of Antibiotic Resistance 10 1.5.1.1 Antibiotics Modification 11 1.5.1.2 Antibiotic Efflux 12 1.5.1.3 Target Modification or Bypass or Protection 12 1.6 Microbial Resistance: Role of NMs 12 1.6.1 Overcoming the Existing Antibiotic Resistance Mechanisms 13 1.6.1.1 Combating Microbes Using Multiple Mechanisms Simultaneously 13 1.6.1.2 Acting as Good Carriers of Antibiotics 13 1.7 Antibacterial Application of NMs 15 1.7.1 Nanometals 16 1.7.2 Metal Oxides 17 1.7.3 Carbonaceous NMs 18 1.7.4 Cationic Polymer NMs 19 1.8 Interaction of NMs with Bacteria 19 1.9 Antibacterial Mechanism of NMs 20 1.10 Factors Affecting the Antibacterial Activity of NMs 22 1.10.1 Size 22 1.10.2 Shape 23 1.10.3 Zeta Potential 24 1.10.4 Roughness 24 1.10.5 Synthesis Methods and Stabilizing Agents 25 1.10.6 Environmental Conditions 26 1.11 Influence of Size on the Antibacterial Activity and Mechanism of Action of Nanomaterials 27 1.12 Influence of Shape on the Antibacterial Activity and Mechanism of Action of Nanomaterials 30 1.13 Effects of Functionalization on the Antimicrobial Property of Nanomaterials 34 1.14 Conclusion and Future Perspectives 35 Questions and Answers 36 References 38 2 Size- and Shape-Selective Synthesis of DNA-Based Nanomaterials and Their Application in Surface-Enhanced Raman Scattering 53K. Karthick and Subrata Kundu 2.1 Introduction 53 2.2 Mechanism of Surface-Enhanced Raman Scattering (SERS) 55 2.2.1 Significance of Nano-Bio Interfaces and Role of DNA in Enhancing SERS Activity 56 2.3 Size- and Shape-Selective Synthesis of Metal NPs with DNA for SERS Studies 57 2.3.1 Metal NP Assemblies on DNA Using Photochemical Route for SERS Studies 58 2.3.2 Metal NP Assemblies on DNA Using Chemical Reduction Process as Aquasol for SERS Studies 69 2.3.3 Metal NP Assemblies on DNA Using Chemical Reduction as Organosol for SERS Studies 77 2.3.4 Metal NP Assemblies on DNA Prepared Using Microwave Heating for SERS Studies 79 2.3.5 Conclusions and Outcomes of DNA-Based Metal Nanostructures for SERS Studies 83 Take Home Message 85 Questions and Answers 85 References 86 Academic Profile 90 3 Surface Modification Strategies to Control the Nanomaterial–Microbe Interplay 93T. K. Vasudha, R. Akhil, W. Aadinath, and Vignesh Muthuvijayan 3.1 Introduction 93 3.2 Factors Influencing NM–Microbe Cross talk 96 3.2.1 Surface Features of Microbes 96 3.2.2 Physicochemical Properties of NMs 97 3.3 Surface Functionalization 100 3.3.1 Techniques Used for Surface Functionalization 101 3.3.1.1 Self-Assembled Monolayers 102 3.3.1.2 Layer-by-Layer Technique 102 3.3.2 Surface Functionalization Strategies 103 3.3.2.1 Physicochemical Modifications 103 3.3.2.2 Biofunctionalization 105 3.4 Characterization of NM–Microbe Interactions 106 3.4.1 Microbe Parameters 107 3.4.2 NM Parameters 108 3.5 Toxicity of the Surface-Modified NMs 109 3.6 Challenges and Future Perspectives 110 Questions and Answers 111 Take Home Message 112 References 112 4 Surface Functionalization of Nanoparticles for Stability in Biological Systems 129Srishti Agarwal and D. Sakthi Kumar 4.1 Introduction 129 4.2 Major Processes Affecting NP Stability in Biological Media 130 4.2.1 Aggregation 130 4.2.2 Nanoparticle Design and Properties 131 4.2.3 Hydrophobicity/Hydrophilicity Effects 133 4.2.4 Effect of Protein Corona 134 4.2.4.1 Effect of Protein Corona on Active Targeting 134 4.2.5 External Factors 135 4.3 Measures to Enhance NP Stability in Biological Systems 135 4.3.1 Stabilization Against Aggregation 135 4.3.2 Ligand Exchange 136 4.3.3 Coating with Additional Layers 136 4.3.3.1 Silica Coating 137 4.3.3.2 PEG Coating 138 4.3.3.3 Lipid Bilayer Coating 141 4.3.3.4 Zwitterionic Coating 141 4.3.3.5 Protein Coating 143 4.3.3.6 Aptamer Coating 144 4.3.4 Subsiding the Nonspecific Protein Interaction 146 4.3.5 Nanoparticle Design 146 4.3.5.1 Particle Functionalization 147 4.3.6 Influence of NM Physicochemical Properties on Microbe–NM Interaction 149 4.4 Conclusion and Future Perspectives 151 4.5 Summary 152 Questions and Answers 152 References 153 5 Molecular Mechanisms Behind Nano-Cancer Therapeutics 167Surya Prakash Singh and Aravind Kumar Rengan 5.1 Nanotechnology at Nano–Bio Interfaces 167 5.2 Armory of Nanomedicine at Nano–Bio Interfaces 168 5.3 Nanoparticle Edge in Modulating Biological Process 170 5.4 Intracellular Uptake and Trafficking of Nanoparticle 173 5.5 Challenges in Clinical Applications 176 5.6 Conclusion 177 Take Home Message 177 Questions and Answers 178 References 179 6 Protein Nanoparticle Interactions and Factors Influencing These Interactions 187R. Mala and R. Keerthana 6.1 Introduction 187 6.2 Types and Biomedical Application of Nanoparticles 188 6.3 Methods and Mechanisms of Nanomaterials Synthesis 189 6.4 Routes of Entry of Nanoparticles into Biological System 190 6.5 Rationale for Studying Nanoparticles–Protein Interactions 191 6.6 Formation of Protein Corona 191 6.6.1 Structure and Composition of Corona 191 6.6.2 Kinetics of Formation of Nanoparticles–Corona 193 6.7 Nanoparticles-Induced Structural Changes in Proteins 195 6.7.1 Reversible 195 6.7.2 Irreversible 195 6.8 Factors Influencing Corona Formation 196 6.8.1 Properties of Nanoparticles 196 6.8.1.1 Size 196 6.8.1.2 Shape 198 6.8.1.3 Charge 198 6.8.1.4 Surface Functionalization 198 6.8.1.5 Surface Reactivity 199 6.8.1.6 Solubility 199 6.8.2 Properties of Protein 199 6.8.3 Effect of Surrounding Environment 201 6.8.3.1 Effect of Media Composition on Corona Formation 201 6.8.3.2 Effect of Temperature 201 6.8.3.3 Static In Vitro Model Vs. Dynamic In Vivo System 201 6.9 Interaction of Nanoparticles with Cells and Their Uptake 202 6.10 Pleiotrophic Effect of Nanoparticles 204 6.11 Analytical Methods to Study Nanoparticles–Protein Interaction 204 6.11.1 Spectral Properties 204 6.11.1.1 UV–Vis Spectroscopy 204 6.11.1.2 FTIR 205 6.11.1.3 Raman Spectroscopy 205 6.11.1.4 Fluorescence Spectroscopy 206 6.11.2 Surface Plasmon Resonance 208 6.11.3 Cellular Uptake of Nanoparticles–Protein 208 6.11.3.1 Flow Cytometry 208 6.11.3.2 Confocal Microscopy 208 6.11.4 Binding Affinity 209 6.11.4.1 Differential Scanning Calorimetry and Isothermal Calorimetry 209 6.11.4.2 Isothermal Titration Calorimetry 209 Questions and Answers 209 References 210 7 Interaction Effects of Nanoparticles with Microorganisms Employed in the Remediation of Nitrogen-Rich Wastewater 225Parmita Chawley and Sheeja Jagadevan 7.1 Introduction 225 7.2 Bacterial Nitrification Process 227 7.2.1 Effect of NPs on Functional Gene Abundance and Transcriptional Response 227 7.2.2 Effect of NPs on Enzyme Activity 229 7.2.3 Effect on Cellular Morphology 230 7.3 Effect of NPs on Denitrifying Bacteria 231 7.3.1 Effect on Functional Gene Abundance and Transcriptional Response 232 7.3.2 Enzymatic Response 234 7.4 Impact of Nanoparticles on Nitrogen Removal 236 7.5 Conclusion 236 Take Home Message 236 Questions and Answers 237 References 238 8 Silver-Based Nanoparticles for Antibacterial Activity: Recent Development and Mechanistic Approaches 245Arpita Roy, Papia Basuthakur, Shagufta Haque, and Chitta Ranjan Patra 8.1 Introduction 245 8.2 Historical Background of Silver 246 8.3 Synthesis Procedures of Silver Nanoparticles 247 8.3.1 Chemical Synthesis 247 8.3.2 Physical Methods 249 8.3.3 Biological Methods 249 8.4 Biological Application of Silver Nanoparticles 251 8.5 Bacterial Infection and Antibiotic Resistance 251 8.6 Nanosilver for Antibacterial Therapy 254 8.6.1 Metallic Silver Nanoparticles 254 8.6.2 Biosynthesized Silver Nanoparticles 254 8.6.3 Silver Nanocomposites 257 8.6.4 Silver Nanoscaffolds 260 8.7 Influence of Size and Shape of Silver Nanoparticles as Antibacterial Agents 260 8.8 Nanosilver and Its Mechanism of Action for Antibacterial Therapy 261 8.9 Application of Silver Nanoparticle in Commercial Products 266 8.9.1 Silver Nanoparticles in Wound Dressing Materials and Devices 266 8.9.2 Silver Nanoparticles in Soaps and Detergents 268 8.9.3 Silver Nanoparticles in Fabrics 269 8.9.4 Silver Nanoparticles in Cosmetics 271 8.9.5 Silver Nanoparticles in Food Packaging 271 8.9.6 Silver Nanoparticles in Paints 273 8.10 Toxicity of Silver Nanoparticles 273 8.11 Future Prospective and Challenges 275 8.12 Conclusion 276 Take Home Message 276 Questions and Answers 277 Abbreviation 278 References 280 9 Microbial Gold Nanoparticles and Their Biomedical Applications 303Dindyal Mandal, Rohit Kumar Singh, Uday Suryakant Maharana, Bijayananda Panigrahi, and Sourav Mishra 9.1 Introduction 303 9.2 Microbial Gold Nanoparticles Synthesis 304 9.2.1 Bacteria-Mediated Gold Nanoparticles 306 9.2.2 Algae-Mediated Gold Nanoparticles 308 9.2.3 Fungi-Mediated Gold Nanoparticles 311 9.2.4 Yeast-Mediated Gold Nanoparticles 315 9.2.5 Mechanism Involved in Microbial Nanoparticles Synthesis 315 9.3 Applications of Microbial Gold Nanoparticles 317 9.3.1 Biosensing 317 9.3.2 Antibacterial Activity of Au NPs 318 9.3.3 Anticancer Activity of Microbial Gold Nanoparticles 321 9.4 Conclusion 322 Take Home Message 323 Questions and Answers 323 References 325 10 Nano-Bio Interactions and Their Practical Implications in Agriculture 337Achintya N. Bezbaruah and Ann-Marie Fortuna 10.1 Introduction 337 10.1.1 Agriculturally Beneficial Soil Microorganisms 339 10.2 Engineered Nanomaterials and Agriculture 340 10.2.1 Pathways for ENM to Soil 340 10.2.2 Fate of ENMs in Soil 340 10.2.3 Chemical Interactions of ENM in Soil 343 10.2.4 Mechanisms Controlling Heteroaggregation 344 10.2.5 Mobility of Colloids and ENMs in Soil 344 10.2.6 Nanoagriculture 345 10.2.7 Nanopesticides 348 10.2.8 ENMs and Agriculturally Beneficial Microorganisms 349 10.3 Summary 352 References 353 11 Biogeochemical Interactions of Bioreduced Uranium Nanoparticles 359S. Sevinç Şengör and Rajesh K. Sani 11.1 Introduction 359 11.2 Coupled Biogeochemical Mechanisms and Interactions of U in the Subsurface 361 11.3 Biogenic Uraninite Precipitation and Its Nanoparticulate Forms 367 11.4 Re-oxidation and Stability of Bioreduced Uranium 371 11.5 Summary and Conclusions 373 Questions and Answers 374 References 376 12 Characterization and Quantification of Mobile Bioreduced Uranium Phases 383S. Sevinç Şengör and Rajesh K. Sani 12.1 Introduction 383 12.2 Characterization of Biogenic U(IV) 384 12.3 Quantification of Mobile Bioreduced U(IV) Nanoparticles 386 12.4 Summary and Conclusions 388 Questions and Answers 389 References 391 Index 395

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Book SynopsisVISCOPLASTIC FLOW IN SOLIDS PRODUCED BYSHEAR BANDING A complete overview of the topic of viscoplastic flow in solids produced by shear banding This book presents novel ideas about inelastic deformation and failure of solids in a clear, concise manner. It exposes readers to information that will allow them to acquire the competence and ability to deal with up-to-date manufacturing and failure processes. It also portrays a new understanding of deformation processes. Finally, shear banding's typical mechanism becomes the active cause of viscoplastic flow and not the passive effect. Viscoplastic Flow in Solids Produced by Shear Banding begins by discussing the new physical model of multilevel hierarchy and the evolution of micro-shear bands. In conclusion, it examines the difficulties of applying a direct multiscale integration scheme and extends the representative volume element (RVE) concept using the general theory of the singular surfaces of the microscopic velocity field sweeping outTable of ContentsPreface xi 1 Introduction 1 1.1 The Objective of the Work 1 1.2 For Whom Is This Work Intended? 2 1.3 State of the Art 3 1.3.1 Motivation Resulting from Industrial Applications 3 1.3.2 KOBO Processes Resulting in Viscous Effects 7 1.4 Summary of the Work Content 8 Acknowledgements 9 References 9 2 Physical Basis 11 2.1 Introductory Remarks 11 2.2 Deformation Mechanisms in Single Crystals 12 2.2.1 Plastic Glide and Twinning 12 2.2.2 Hierarchy of Plastic Slip Processes 14 2.2.3 Localised Forms of Plastic Deformation 17 2.2.4 Physical Nature of Shear Bands 19 2.3 Plastic Deformation in Polycrystals 23 2.3.1 Mechanisms of Plastic Deformation and the Evolution of Internal Micro- Stresses 23 2.3.2 Micro- shear Bands Hierarchy and Their Macroscopic Effects 25 2.3.3 Physical Nature of Micro- shear Bands in Polycrystals 28 2.3.4 Comments on ‘adiabatic’ Micro- shear Bands 29 References 29 3 Incorporation of Shear Banding Activity into the Model of Inelastic Deformations 37 3.1 Plastic Deformation of Metallic Solids vis- à- vis the Continuum Mechanics 37 3.2 Hypothesis on the Extension of the RVE Concept 39 3.3 Model of Shear Strain Rate Generated by Micro- shear Bands 41 References 46 4 Basics of Rational Mechanics of Materials 49 4.1 A Recollection of Rational Continuum Mechanics 49 4.2 The Rational Theory of Materials – Epilogue 52 4.2.1 The Concept of the Deformable Body 54 4.2.2 The Motion of the Body 55 4.2.3 The Deformation of a Body 56 4.2.4 The Deformation Gradient 56 References 59 5 Continuum Mechanics Description of Shear Banding 63 5.1 System of Active Micro- shear Bands Idealised as the Surface of Strong Discontinuity 63 5.1.1 On Finite Inelastic Deformations with High Lattice Misorientation 67 5.2 Macroscopic Averaging 67 References 73 6 Deformation of a Body Due to Shear Banding – Theoretical Foundations 75 6.1 Basic Concepts and Relations of Finite Inelastic Deformation of Crystalline Solids 75 6.2 Continuum Model of Finite Inelastic Deformations with Permanent Lattice Misorientation 77 6.3 Basic Concepts and Relations of Constitutive Description – Elastic Range 82 6.4 The Yield Limit Versus Shear Banding – The ‘extremal surface’ 83 References 85 7 The Failure Criteria Concerning the Onset of Shear Banding 87 7.1 The Yield Condition for Modern Materials – the State of the Art 87 7.2 The Yield Condition for the Isotropic Materials Revealing the Strength Differential Effect 90 7.3 Examples and Visualisations of the Particular Burzyński Failure Criteria 94 7.3.1 Ellipsoidal Failure Surface 94 7.3.2 Paraboloid Failure Surfaces 95 7.4 Remarks on the Extension Including Anisotropic Materials 98 References 101 8 Constitutive Description of Viscoplasticity Accounting for Shear Banding 107 8.1 The Model of Plastic Flow with Nonlinear Development of Kinematic Hardening 107 8.2 The Perzyna Viscoplasticity Model Accounting for Shear Banding 112 8.3 Identification of the Viscoplasticity Model 114 8.4 The Crystal Plasticity Modelling of Deformation Processes in Metals Accounting for Shear Banding 118 8.5 Viscoplastic Deformation of Nanocrystalline Metals 122 References 126 9 Conclusions 131 9.1 Concluding Remarks 131 9.1.1 Shear Banding- Mediated Flow vis- à- vis Ductile Failure Analysis 131 9.1.2 Application of Peridynamic Numerical Simulations of Shear Banding Processes 132 References 135 Subject Index 139 Name Index 141

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Book SynopsisA succinct and complete explanation of Krylov subspace methods for solving systems of equations Krylov Subspace Methods with Application in Incompressible Fluid Flow Solvers is the most current and complete guide to the implementation of Krylov subspace methods for solving systems of equations with different types of matrices. Written in the simplest language possible and eliminating ambiguities, the text is easy to follow for post-grad students and applied mathematicians alike. The book covers a breadth of topics, including: The different methods used in solving the systems of equations with ill-conditioned and well-conditioned matricesThe behavior of Krylov subspace methods in the solution of systems with ill-posed singular matricesExpertly supported with the addition of a companion website hosting computer programs of appendices The book includes executable subroutines and main programs that can be applied in CFD codes as well as appendices that support the results provided throughoTable of ContentsList of Figures xi List of Tables xv Preface xvii About the Companion Website xix 1 Introduction 1 1.1 Motivation 1 1.1.1 Governing Equations 2 1.1.2 Methods for Solving Flow Equations 3 1.2 History of Krylov Subspase Methods 4 1.3 Scope of Book 7 1.3.1 The General Structure of Solver 7 1.3.2 Review of Book Content 10 2 Discretization of Partial Differential Equations and Formation of Sparse Matrices 13 2.1 Introduction 13 2.2 Partial Differential Equations 13 2.2.1 Elliptic Operators 14 2.2.2 Convection–Diffusion Equation 15 2.3 Finite Difference Method 16 2.4 Sparse Matrices 17 2.4.1 Benchmark Problems for Comparing Solvers 17 2.4.2 Storage Formats of Sparse Matrices 21 2.4.2.1 Coordinate Format 21 2.4.2.2 Compressed Sparse Row Format 22 2.4.2.3 Block Compressed Row Storage Format 23 2.4.2.4 Sparse Block Compressed Row Storage Format 24 2.4.2.5 Modified Sparse Row Format 25 2.4.2.6 Diagonal Storage Format 25 2.4.2.7 Compressed Diagonal Storage Format 27 2.4.2.8 Ellpack-Itpack Format 28 2.4.3 Redefined Matrix–Vector Multiplication 28 Exercises 29 3 Theory of Krylov Subspace Methods 31 3.1 Introduction 31 3.2 Projection Methods 31 3.3 Krylov Subspace 34 3.4 Conjugate Gradient Method 35 3.4.1 Steepest Descent Method 35 3.4.2 Derivation of Conjugate Gradient Method 38 3.4.3 Convergence 40 3.5 Minimal Residual Method 41 3.6 Generalized Minimal Residual Method 42 3.7 Conjugate Residual Method 44 3.8 Bi-Conjugate Gradient Method 45 3.9 Transpose-Free Methods 47 3.9.1 Conjugate Gradient Squared Method 48 3.9.2 Bi-Conjugate Gradient Stabilized Method 50 Exercises 54 4 Numerical Analysis of Krylov Subspace Methods 57 4.1 Numerical Solution of Linear Systems 57 4.1.1 Solution of Symmetric Positive-Definite Systems 58 4.1.2 Solution of Asymmetric Systems 64 4.1.3 Solution of Symmetric Indefinite Systems 67 4.2 Preconditioning 69 4.2.1 Preconditioned Conjugate Gradient Method 69 4.2.2 Preconditioning With the ILU(0) Method 71 4.2.3 Numerical Solutions Using Preconditioned Methods 72 4.3 Numerical Solution of Systems Using GMRES∗ 77 4.4 Storage Formats and CPU-Time 78 4.5 Solution of Singular Systems 84 4.5.1 Solution of Poisson’s Equation with Pure Neumann Boundary Conditions 84 4.5.2 Comparison of the Krylov Subspace Methods with the Point Successive Over-Relaxation (PSOR) Method 95 Exercises 96 5 Solution of Incompressible Navier–Stokes Equations 99 5.1 Introduction 99 5.2 Theory of the Chorin’s Projection Method 100 5.3 Analysis of Projection Method 101 5.4 The Main Framework of the Projection Method 103 5.4.1 Implementation of the Projection Method 104 5.4.2 Discretization of the Governing Equations 104 5.5 Numerical Case Study 109 5.5.1 Vortex Shedding from Circular Cylinder 109 5.5.2 Vortex Shedding from a Four-Leaf Cylinder 111 5.5.3 Oscillating Cylinder in Quiescent Fluid 112 Exercises 115 Appendix A Sparse Matrices 117 A.1 Storing the Sparse Matrices 117 A.1.1 Coordinate to CSR Format Conversion 117 A.1.2 CSR to MSR Format Conversion 118 A.1.3 CSR to Ellpack-Itpack Format Conversion 119 A.1.4 CSR to Diagonal Format Conversion 121 A.2 Matrix-Vector Multiplication 124 A.2.1 CSR Format Matrix-Vector Multiplication 124 A.2.2 MSR Format Matrix-Vector Multiplication 125 A.2.3 Ellpack-Itpack Format Matrix-Vector Multiplication 125 A.2.4 Diagonal Format Matrix-Vector Multiplication 126 A.3 Transpose Matrix-Vector Multiplication 127 A.3.1 CSR Format Transpose Matrix-Vector Multiplication 127 A.3.2 MSR Format Transpose Matrix-Vector Multiplication 127 A.4 Matrix Pattern 128 Appendix B Krylov Subspace Methods 131 B.1 Conjugate Gradient Method 131 B.2 Bi-Conjugate Gradient Method 135 B.3 Conjugate Gradient Squared Method 136 B.4 Bi-Conjugate Gradient Stabilized Method 138 B.5 Conjugate Residual Method 140 B.6 GMRES* Method 142 Appendix C ILU(0) Preconditioning 145 C.1 ILU(0)-Preconditioned Conjugate Gradient Method 145 C.2 ILU(0)-Preconditioned Conjugate Gradient Squared Method 149 C.3 ILU(0)-Preconditioned Bi-Conjugate Gradient Stabilized Method 151 Appendix D Inner Iterations of GMRES* Method 155 D.1 Conjugate Gradient Method Inner Iterations 155 D.2 Conjugate Gradient Squared Method Inner Iterations 157 D.3 Bi-Conjugate Gradient Stabilized Method Inner Iterations 158 D.4 Conjugate Residual Method Inner Iterations 160 D.5 ILU(0) Preconditioned Conjugate Gradient Method Inner Iterations 162 D.6 ILU(0) Preconditioned Conjugate Gradient Squared Method Inner Iterations 163 D.7 ILU(0) Preconditioned Bi-Conjugate Gradient Stabilized Method Inner Iterations 165 Appendix E Main Program 167 Appendix F Steepest Descent Method 173 Appendix G Vorticity-Stream Function Formulation of Navier–Stokes Equation 177 Bibliography 219 Index 225

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Book SynopsisExplore the theory and applications of superatomic clusters and cluster assembled materials Superatoms: Principles, Synthesis and Applications delivers an insightful and exciting exploration of an emerging subfield in cluster science, superatomic clusters and cluster assembled materials. The book presents discussions of the fundamentals of superatom chemistry and their application in catalysis, energy, materials science, and biomedical sciences. Readers will discover the foundational significance of superatoms in science and technology and learn how they can serve as the building blocks of tailored materials, promising to usher in a new era in materials science. The book covers topics as varied as the thermal and thermoelectric properties of cluster-based materials and clusters for CO2 activation and conversion, before concluding with an incisive discussion of trends and directions likely to dominate the subject of superatoms in the coming years. RTable of ContentsPreface xi List of Contributors xiii 1 Introduction 1 Puru Jena and Qiang Sun References 7 2 Rational Design of Superatoms Using Electron-Counting Rules 15 Puru Jena, Hong Fang, and Qiang Sun 2.1 Introduction 15 2.2 Electron-Counting Rules 17 2.2.1 Jellium Rule 17 2.2.2 Octet Rule 24 2.2.2.1 Superalkalis and Superhalogens 25 2.2.2.2 Superchalcogens 27 2.2.3 18-Electron Rule 29 2.2.4 32-Electron Rule 30 2.2.5 Aromaticity Rule 31 2.2.6 Wade-Mingos Rule 34 2.3 Stabilizing Negative Ions Using Multiple Electron-Counting Rules 37 2.3.1 Monoanions 37 2.3.2 Dianions 41 2.3.3 Trianions 43 2.3.4 Tetra-Anions and Beyond 44 2.4 Conclusions 46 References 46 3 Superhalogens – Enormously Strong Electron Acceptors 53 Piotr Skurski 3.1 Superhalogen Concept 53 3.1.1 Early Studies 53 3.1.2 Further Research (until 1999) 55 3.1.3 First Measurement of Gas-Phase Experimental Electron Detachment Energies 57 3.1.4 The Performance of Theoretical Treatments in Estimating VDEs 58 3.2 Alternative Superhalogens 61 3.2.1 Nonmetal Central Atoms 62 3.2.2 Nonhalogen Ligands 63 3.2.3 Beyond the MXk+1 Formula 66 3.2.4 Superhalogens as Ligands 68 3.3 Polynuclear Systems and the Search for EA and VDE Limits 70 3.3.1 Polynuclear Superhalogens 71 3.3.2 Search for EA and VDE Limits 74 3.3.3 Magnetic Superhalogens 76 3.4 Superhalogens’ Applications at a Glance 77 3.5 Final Remarks 78 Acknowledgements 79 References 79 4 Endohedrally Doped Superatoms and Assemblies 85 Vijay Kumar 4.1 Introduction 85 4.2 Magic Clusters and Their Electronic Stability 88 4.3 Discovery of Silicon Fullerenes and Other Polyhedral Forms 89 4.4 Endohedral Superatoms of Ge, Sn, and Pb 97 4.5 Magnetic Superatoms 101 4.6 Endohedral Clusters of Group 11 Elements 101 4.7 Endohedral Clusters of B, Al, and Ga 104 4.8 Hydrogenated Silicon Fullerenes 107 4.9 Compound Superatoms and Other Systems 108 4.10 Assemblies of Superatoms 110 4.11 Concluding Remarks 117 Acknowledgements 117 References 118 5 Magnetic Superatoms 129 Nicola Gaston 5.1 Introduction 129 5.2 The Arrival of the Magnetic Superatom 130 5.3 Tunable Superatoms 133 5.4 The Delocalisation of d-electrons 134 5.5 Prospects for Nanostructured Magnetic Material Design 137 References 138 6 Atomically Precise Synthesis of Chemically Modified Superatoms 141 Shinjiro Takano and Tatsuya Tsukuda 6.1 Introduction 141 6.1.1 The Concept of Superatoms 141 6.1.2 Chemically Modified Au/Ag Superatoms 142 6.2 Electronic Structures of Chemically Modified Superatoms 147 6.2.1 Size Effects 147 6.2.2 Composition Effects 151 6.2.3 Shape Effects 153 6.3 Atomically Precise Synthesis of Chemically Modified Superatoms 160 6.3.1 Size Control 160 6.3.1.1 Top-down Approach: Size Focusing 161 6.3.1.2 Bottom-up Approach: Size Convergence 163 6.3.1.3 Template Method 168 6.3.1.4 Kinetic Control 168 6.3.2 Composition Control 169 6.3.2.1 Co-reduction Method 169 6.3.2.2 Antigalvanic Method 170 6.3.2.3 Hydride-Mediated Transformation 172 6.3.3 Shape Control 172 6.3.4 Surface Control 174 6.3.4.1 Ligand Exchange 174 6.3.4.2 Hydrogen-Mediated Transformation 176 6.4 Summary 176 References 177 7 Atomically Precise Noble Metals in the Nanoscale, Stabilized by Ligands 183 Hannu Häkkinen 7.1 Introduction 183 7.2 Fundamentals 184 7.2.1 Free Electron Model and the Kubo Gap 184 7.2.2 Electron Shell Structure 185 7.2.3 Ligand-Stabilized Metal Clusters as Superatoms 188 7.2.3.1 Case Study: The (Ag44(SR)30)4− Superatom 188 7.2.4 Transition from Electronic to Atomic Shells 191 7.3 Applications 194 7.3.1 Catalysis 194 7.3.2 Biological and Medical Applications 199 7.3.2.1 Case Study: Imaging of Enteroviruses 200 7.3.3 Self-Assembling Cluster Materials from Superatoms 201 7.3.3.1 Case Study: Polymeric 1D Cluster Materials 203 7.4 Summary and Outlook 205 References 206 8 Superatoms as Building Blocks of 2D Materials 209 Zhifeng Liu 8.1 Introduction 209 8.2 Fullerene-Assembled 2D Materials 211 8.2.1 C60-assembled Monolayer 211 8.2.1.1 Freestanding vdWC60 Monolayer 212 8.2.1.2 Freestanding Covalent Polymerized C60 Monolayer 213 8.2.2 Cn (n = 20, 26, 32, 36)-assembled Monolayers 217 8.2.3 Fullerene Monolayers on Substrates 220 8.3 Si-Based Cluster Assembled 2D Materials 223 8.3.1 V@Si12 Assembled 2D Monolayer 223 8.3.1.1 Structure and Stability 223 8.3.1.2 Electronic and Ferromagnetic Properties 224 8.3.2 Other TM@Si12 Assembled 2D Monolayers 225 8.3.3 Ta@Si16 Assembled 2D Monolayer and That on Substrate 226 8.4 Binary Semiconductor Cluster Assembled 2D Materials 231 8.4.1 Cd6Se6 Assembled Sheets 232 8.4.2 X12Y12 Cage Cluster Assembled Monolayer 235 8.5 Simple and Noble Metal Cluster-assembled 2D Materials 236 8.5.1 Mg7 Assembled Monolayer 236 8.5.2 Au9 and Pt9 Assembled Square Monolayer 237 8.6 Zintl-ion Cluster-assembled 2D Materials 240 8.6.1 Ge9 Ion Cluster Monolayer 240 8.6.2 Ti@Au12 Ion Cluster Monolayer 241 8.7 Chevrel Cluster-Assembled 2D Materials 243 8.7.1 Re6Se8 Cluster-based Monolayer 243 8.7.2 Co6Se8 Cluster-based Monolayer 245 8.8 Summary and Future Perspectives 247 References 249 9 Superatom-Based Ferroelectrics 257 Menghao Wu and Puru Jena 9.1 Introduction 257 9.2 Organic Ferroelectrics 258 9.3 Hybrid Organic-Inorganic Perovskites 262 9.4 Supersalts 266 9.5 Conclusion 270 References 270 10 Cluster-based Materials for Energy Harvesting and Storage 277 Puru Jena, Hong Fang, and Qiang Sun 10.1 Introduction 277 10.2 Cluster-Based Materials for Moisture-resistant Hybrid Perovskite Solar Cells 283 10.3 Cluster-Based Materials for Optoelectronic Devices 287 10.4 Cluster-Based Materials for Solid-state Electrolytes in Li-and Na-ion Batteries 287 10.4.1 Halogen-free Electrolytes 289 10.4.2 Cluster-based Antiperovskites for Electrolytes in Li-ion Batteries 292 10.4.3 Cluster-based Antiperovskites for Electrolytes in Na-ion Batteries 297 10.5 Cluster-Based Materials for Hydrogen Storage 300 10.5.1 Hydrogen Interaction Mechanism 300 10.5.2 Intermediate States 303 10.5.3 Catalysts for Lowering the Dehydrogenation Temperature 305 10.6 Clusters Promoting Unusual Reactions 305 10.6.1 Zn in +III Oxidation State 307 10.6.2 Covalent Binding of Noble Gas Atoms 307 10.7 Conclusions 310 References 311 11 Thermal and Thermoelectric Properties of Cluster-based Materials 317 Tingwei Li, Qiang Sun, and Puru Jena 11.1 Introduction 317 11.2 Basic Theory 318 11.2.1 Thermoelectric Effect 318 11.2.2 Material Performance 319 11.2.3 Tuning ZT by Carrier Concentration 320 11.2.4 Tuning ZT by Electronic Structure 321 11.2.4.1 Carrier Effective Mass, m* 321 11.2.4.2 Carrier Mobility 322 11.3 Low Lattice Thermal Conductivity of Cluster-based Materials 323 11.3.1 Crystal Complexity of Cluster-based Materials 324 11.3.2 Chemical Bond Hierarchy in Cluster-based Materials 325 11.3.3 Structural Disorder in Cluster-based Materials 326 11.3.4 Orientational Disorder in Cluster-based Materials 327 11.3.4.1 Co6E8(PEt3)6 and [Co6E8(PEt3)6][C60]2 328 11.3.4.2 Fullerene Assembled Films 329 11.4 Thermoelectric Properties of some Selected Cluster-based Materials 330 11.4.1 Mo6 and Mo9 Cluster-based Selenides 330 11.4.1.1 Crystal Structures 330 11.4.1.2 Electronic Structures 331 11.4.1.3 Thermal Properties 332 11.4.1.4 Thermoelectric Figure of Merit ZT 334 11.4.2 Boron-based Cluster Materials 334 11.4.2.1 Crystal Structures 335 11.4.2.2 Thermoelectric Properties 335 11.4.3 Silver-based Cluster Materials 338 11.5 Conclusion 341 References 342 12 Clusters for CO2 Activation and Conversion 349 Haoming Shen, Qiang Sun, and Puru Jena 12.1 Introduction 349 12.2 Superalkali Catalysts 351 12.2.1 Li-based Superalkalis for CO2 Activation 351 12.2.2 Supported or Embedded Superalkalis for CO2 Capture 358 12.3 Al-Based Clusters for CO2 Capture 359 12.4 Ligand-Protected Au25 Clusters for CO2 Conversion 361 12.5 M@Ag24 Clusters for CO2 Conversion 364 12.6 Cu-Based Clusters for CO2 Conversion 367 12.7 Metal Encapsulated Silicon Nanocages for CO2 Conversion 370 12.8 Summary and Perspectives 370 References 372 13 Conclusions and Future Outlook 375 Puru Jena and Qiang Sun Index 379

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Book SynopsisThe book Frontiers and Textile Materials will deal with the important materials that can be utilized for value-addition and functionalization of textile materials. The topics covered in this book includes the materials like enzymes, polymers, etc. that are utilized for conventional textile processing and the advanced materials like nanoparticles which are expected to change the horizons of textiles. The futuristic techniques for textile processing like plasma are also discussed.Table of ContentsPreface xv 1 Introduction to Textiles and Finishing Materials 1Mohd Shabbir and Javed N. Sheikh 1.1 Introduction 1 1.2 Polymers 2 1.3 Nanomaterials 3 1.4 Enzymes 4 1.5 Plasma and Radiations for Textiles 6 1.6 Flexible Electronics 7 References 8 2 Polymers for Textile Production 13Mohammad Tajul Islam, Md. Mostafizur Rahman and Nur-Us-Shafa Mazumder 2.1 Polymers 13 2.2 History of Polymer 15 2.3 Classification of Polymers 16 2.4 Polymerization 19 2.4.1 Chain Polymerization 19 2.4.2 Step Polymerization 21 2.5 Polymers in Textile Fibers 23 2.5.1 Natural Polymers 24 2.5.1.1 Cellulose 24 2.5.1.2 Cotton 25 2.5.1.3 Jute 26 2.5.1.4 Keratin 26 2.5.1.5 Wool 27 2.5.1.6 Fibroin 28 2.5.1.7 Silk 28 2.5.2 Synthetic Polymers 29 2.5.2.1 Polyethylene 29 2.5.2.2 Polypropylene 33 2.5.2.3 Polytetrafluoroethylene 36 2.5.2.4 Poly Vinyl Chloride 38 2.5.2.5 Poly Vinylidene Chloride 40 2.5.2.6 Polyamide 41 2.5.2.7 Polyethylene Terephthalate 47 2.5.2.8 Polyacrylonitrile 50 2.5.2.9 Modacrylic Fiber 52 2.5.2.10 Spandex Fiber 52 2.6 Polymers in Textile Processing 54 2.6.1 Polyvinyl Alcohol 54 2.6.2 Starch 56 2.6.3 Sodium Alginate 56 2.7 Conclusion 57 References 57 3 Advances in Polymer Coating for Functional Finishing of Textiles 61Asma Bouasria, Ayoub Nadi, Aicha Boukhriss, Hassan Hannache, Omar Cherkaoui and Said Gmouh 3.1 Introduction 62 3.2 Polymer Coating Methods 63 3.2.1 Dip Coating 63 3.2.2 Transfer Coating 64 3.2.3 Kiss Roll Coating 64 3.2.4 Gravure Roll Coating 64 3.2.5 Slot Die or Extrusion Coating 65 3.2.6 Powder Coating 65 3.2.7 Knife Coating 66 3.2.7.1 Choice of the Thickness 67 3.2.7.2 The Viscosity 67 3.2.7.3 Drying 67 3.2.7.4 Type of Knife 68 3.2.7.5 Knife Use Technologies 69 3.2.7.6 Type of Knife Coating 70 3.3 New Technologies in Polymer Coatings 71 3.3.1 Plasma Treatment Technology 71 3.3.2 Electrofluidodynamic Treatment Technology 72 3.3.3 Supercritical Carbon Dioxide-Based Method Technology 73 3.4 Coating Materials 73 3.4.1 Polyvinylchloride (PVC) 74 3.4.2 Polyacrylics (PA) 74 3.4.3 Polyurethane (PU) 75 3.5 New Functionalities of Polymer Coatings 77 3.5.1 Application in Smart Textile 77 3.5.2 Flame Retardant 77 3.5.3 Water Repellence 79 3.5.4 Antibacterial Function 81 3.6 Conclusions and Future Outlook 82 References 82 4 Functional Finishing of Textiles with β-Cyclodextrin 87Aminoddin Haji 4.1 Introduction 87 4.2 Properties of Cyclodextrins 89 4.3 Chemical Modification of Cyclodextrins 91 4.4 Methods for Attachment of β-CD on Textiles 91 4.5 Functional Properties Obtained by Attachment of β-CD on Textiles 100 4.5.1 Antimicrobial Activity and Drug Delivery 100 4.5.2 Fragrance Release and Anti-Odor Finishing 101 4.5.3 Improved Dyeing and Printing 105 4.5.4 Wastewater Treatment 105 4.5.5 Flame Retardant Finishing 105 4.6 Conclusion 109 References 109 5 Synthesis of Nanomaterials and Their Applications in Textile Industry 117Rizwan Arif , Sapana Jadoun and Anurakshee Verma 5.1 Introduction 118 5.2 Synthesis of Nanomaterials 119 5.2.1 Preparation of Chitosan Nano-Fibers 119 5.2.2 Preparation of Polyethylene Glycol Capped Silver Nanoparticles (AgNPs) 120 5.2.3 Preparation of Silk Textile Nano-Composite Materials of TiO2 Nanoparticles 122 5.3 Synthesis of Nano-Fiber-Based Hydrogels (NFHGs) 122 5.3.1 Electrospinning 123 5.3.2 Weaving 123 5.3.3 Freeze Drying 124 5.3.4 3D Printing 124 5.4 Application of Nano Textiles 124 5.5 Conclusion 130 References 131 6 Modification of Textiles via Nanomaterials and Their Applications 135Sapana Jadoun, Anurakshee Verma and Rizwan Arif 6.1 Introduction 136 6.2 Nanotextiles and Its Properties 137 6.3 Modification of Textiles via Nanoparticles 138 6.3.1 Modification via Silver Nanoparticle 139 6.3.2 Modification via Zinc Oxide Nanoparticle 143 6.3.3 Modification via Titanium Dioxide Nanoparticle 144 6.3.4 Modification via Magnesium Oxide (MgO) Nanoparticles 144 6.3.5 Modification via Polymer Nanoparticles 146 6.4 Applications 146 6.5 Conclusion 147 References 148 7 UV Protection via Nanomaterials 153Kunal Singha, Subhankar Maity and Pintu Pandit 7.1 Introduction 154 7.1.1 Different Types of Nano-Finishing on Textile Materials 154 7.1.1.1 UV Protection 154 7.1.1.2 Nano-Silver (Ag) (Antimicrobial Activity) 155 7.1.1.3 Water Repellence Finishing 155 7.1.1.4 Self-Cleaning or “Lotus Effect” 155 7.1.1.5 New-Age Nano-Finishing on Textile Materials Nano-Care 156 7.2 Zinc Oxide Particle (ZnO) Physical Properties 156 7.2.1 Chemical Properties 156 7.2.2 Nanophase ZnO 157 7.2.3 TiO2 Structure and Properties 157 7.2.3.1 TiO2 Nanoparticle 157 7.3 UV Protective Applications 157 7.3.1 Nanocoating of ZnO–TiO2 on Textile Fabric 158 7.3.2 Polymer Dispersion Methods of Nanocoating 158 7.4 Applications as UV Absorber and Sunscreen 159 7.4.1 Nanomaterials Used in UV Protective Finishing 159 7.5 Nano-ZnO-TiO2 Finishing 161 7.5.1 Mechanism of UV Protection 162 7.5.2 UV Protection Through Nano-Finishing of Textiles 162 7.6 Evaluation of UV Protection Finishes 163 7.7 Conclusions 164 References 165 8 Synthesis, Characterization, and Application of Modified Textile Nanomaterials 167Anurakshee Verma, Rizwan Arif and Sapana Jadoun 8.1 Introduction of Textile Nanomaterials 167 8.2 Synthesis of Textiles Nanomaterials 168 8.2.1 Synthesis via Hydrothermal Method 169 8.2.2 Synthesis via Solvo-Thermal Method 169 8.2.3 Synthesis via Chemical Vapor Deposition (CVD) Method 169 8.2.4 Synthesis via Physical Vapor Deposition (PVD) Method 170 8.2.5 Synthesis via Template Method 170 8.2.6 Synthesis via Conventional Sol–Gel Method 170 8.2.7 Synthesis via Microwave Method 170 8.2.8 Synthesis via Fabrication Process 170 8.3 Characterization 171 8.3.1 Microscopic Characterization of Textile Nanomaterials 172 8.3.1.1 Transmission Electron Microscopy (TEM) 172 8.3.1.2 Atomic Force Microscope (AFM) 172 8.3.1.3 Scanning Electron Microscopy (SEM) 173 8.3.1.4 Scanning Tunneling Microscopy (STM) 174 8.3.2 Spectroscopic Characterization of Textile Nanomaterials 175 8.3.2.1 Ultraviolet-Visible (UV-VIS) Spectroscopy 175 8.3.2.2 Raman Spectroscopy 175 8.3.2.3 Infrared Spectroscopy (IR) 175 8.3.3 Characterization of Textile Nanomaterials by X-Ray 176 8.3.3.1 Energy Dispersive X-Ray Analysis (EDX) 176 8.3.3.2 Wide Angle X-Ray Diffraction 176 8.3.3.3 X-Ray Photoelectron Spectroscopy (XPS) 176 8.3.3.4 Particle Size Analyzer 177 8.3.4 Characterization of Textile Nanomaterial by Some Other Technique 178 8.3.4.1 Physical Testing 178 8.3.4.2 Determination of Recovery Angle and Tensile Properties 178 8.3.4.3 Determination of Absorbency by Wicking Test and Bending Length 179 8.3.4.4 Evaluation of Water and Air Permeability 179 8.4 Application of Textiles Nanomaterials 179 8.4.1 Application Based on Properties of Textile Material 179 8.4.1.1 Anti-Bacterial Properties of Textile Nanomaterial 179 8.4.1.2 UV Protective Properties of Textile Nanomaterial 180 8.4.1.3 Water Repellence Properties of Textile Nanomaterial 180 8.4.1.4 Anti-Static Properties of Textile Nanomaterial 180 8.4.1.5 Flame Retardant Properties of Textile Nanomaterial 180 8.4.1.6 Wrinkle-Free Properties of Textile Nanomaterial 181 8.4.1.7 Self-Cleaning Properties of Textile Nanomaterial 181 8.4.1.8 Economical and Environmental Aspects of Textile Nanomaterial 181 8.4.2 Application in Textile Industry 182 8.4.2.1 Textile Nanomaterial Used in Swimming Costume 182 8.4.2.2 Textile Nanomaterial Used in Sports Goods 182 8.4.2.3 Textile Nanomaterial Used Inflexible Electronic Circuit 182 8.4.2.4 Textile Nanomaterial Used in Lifestyle 182 8.5 Current Trends and Future Prospects 183 8.6 Conclusion 183 References 184 9 Biomaterials-Based Nanogenerator: Futuristic Solution for Integration Into Smart Textiles 189S. Wazed Ali, Satyaranjan Bairagi and Pramod Shankar 9.1 Introduction 190 9.2 Biomaterial-Based Piezoelectric Nanogenerator 191 9.2.1 Cellulose-Based 191 9.2.2 Collagen-Based 194 9.2.3 Protein-Based 197 9.3 Conclusion 198 Acknowledgment 199 References 199 10 Textiles in Solar Cell Applications 203Khursheed Ahmad 10.1 Introduction 203 10.2 Basic Principle and Types of Solar Cells 205 10.3 Textiles in Solar Cells 206 10.3.1 Textiles in Perovskite Solar Cells 206 10.3.2 Textiles in Dye Sensitized Solar Cells 210 10.4 Conclusion 212 References 213 11 Multifunctionalizations of Textile Materials Highlighted by Unconventional Dyeing 219Vasilica Popescu 11.1 Introduction 220 11.2 Functionalization of Textile Materials: Functionalization Techniques 220 11.3 PAN: Functionalization/Multifunctionalization by Chemical Treatments 223 11.3.1 Dyeing of Functionalized Acrylic Fibers with Different Reagents 229 11.3.2 Functionalization of PAN-M with Basic Reagents 230 11.3.3 Dyeing of PAN-M Functionalized with Basic Reagents 238 11.4 Multi-Functionalization of Acrylic Fiber by Grafting with Polyfunctional Agents 244 11.4.1 Multifunctionalization of PAN Fiber with Chitosan 244 11.4.1.1 Multifunctionalization of PAN-M Fiber with Chitosan by Means of Electrostatical Bonding 245 11.4.1.2 Multifunctionalization PAN-M Fiber with Chitosan via Covalent Bonds 247 11.4.1.3 Multifunction of PAN Fiber with MCT-β-CD 248 11.5 Polyethylene Terephthalate: Functionalization Ways 249 11.5.1 Functionalization of PET with Basic Reagents 250 11.5.1.1 Dyeing of PET Functionalized with Agents Having Basic Character 253 11.5.2 PET Functionalization with Alcohols 255 11.5.2.1 Multifunctionalized PET Dyeing with Alcohols 257 11.5.3 PET-Multifunctionalization with MCT-β-CD 260 11.5.4 Functionalization of the PET Surface with Plasma Treatment 261 11.5.4.1 Dyeing of PET Functionalized by Means of Plasma and Grafting with Polyfunctional Compounds 264 11.6 Cotton: Multifunctionalization Ways 266 11.6.1 Surface Activation with Plasma Followed by Grafting with Polyfunctional Compounds 267 11.6.1.1 Dyeing of Multifunctionalized Cotton by Plasma and Grafting Treatments 269 11.6.2 Alkyl Chitosan Grafting on Cotton 269 11.6.2.1 Dyeing of Cotton Grafted with Alkyl Chitosans 273 11.6.3 Multifunctionalization of Cotton with Polyfunctional Compounds and Unconventional Dyeing 275 11.6.3.1 Functionalization of Cotton with Tetronic 701 and Chitosan 275 11.6.3.2 Functionalization of Cotton with a Tetrol (Tetronic 701) and MCT-β-CD 277 11.6.3.3 Successive Functionalization of Cotton with a Tetrol (Tetronic 701), Chitosan, and MCT-β-CD 277 11.6.4 Multifunctionalization of Cotton with Carbonyl Compounds and MCT-β-CD 278 11.7 Conclusions 279 References 280 12 Advanced Dyeing or Functional Finishing 291Kunal Singha, Subhankar Maity and Pintu Pandit 12.1 Introduction 292 12.2 Mechanism of Dyeing by Phase Separation 293 12.3 Advanced Dyeing and Finishing Techniques 293 12.3.1 Ultrasound Technology 293 12.3.2 Ultraviolet (UV) Technology 294 12.3.3 Ozone Technology 294 12.3.4 Plasma Technology/Ion Implantation Technology 295 12.3.5 Gamma Radiation Technology 295 12.3.6 Laser Technology 296 12.3.7 Microwave Technology 296 12.3.8 E-Beam Radiation Technology/Mass-Analyzed Ion Implantation 296 12.3.9 Supercritical Carbon Dioxide (Sc. CO2) Technology 296 12.4 Applications of Ultrasonics in Textiles 297 12.4.1 Principle of Ultrasound Dyeing Technique 298 12.4.2 Basic Design of the Ultrasound Dyeing Instrument Developed by SASMIRA, India 299 12.4.3 Different Section of the Machine 299 12.4.4 K/S Value 300 12.4.5 Dye Uptake 301 12.4.6 Comparison of Ultrasound Dyeing Technique with the Conventional Dyeing Technique for Various Textile Materials 301 12.4.7 Dyeing of Polyester by Disperse Dye 303 12.5 Conclusions 304 References 305 13 Plasma and Other Irradiation Technologies Application in Textile 309Kartick K. Samanta, S. Basak and Pintu Pandit 13.1 Introduction 310 13.2 Plasma Treatment of Textile 312 13.3 Optical Properties of Plasma 314 13.4 Improvement in Hydrophobic Attribute 316 13.4.1 Surface Chemistry of Hydrophobic Textile 317 13.5 Improvement in Liquid Absorbency and Coloration 320 13.6 Plasma Treatment of Protein Fiber 322 13.6.1 On Silk Fiber 322 13.6.2 On Wool Fabric 324 13.7 UV Irradiation 325 13.8 Laser Irradiation 326 13.9 Electron Beam Irradiation 327 13.10 Summary 327 References 328 14 Bio-Mordants in Conjunction With Sustainable Radiation Tools for Modification of Dyeing of Natural Fibers 335Shahid Adeel, Shumaila Kiran, Tanvir Ahmad, Noman Habib, Kinza Tariq and Muhammad Hussaan 14.1 Natural Dyes 336 14.2 Health and Environmental Aspects 336 14.3 Isolation Process 336 14.3.1 Conventional Methods 337 14.3.2 Modern Methods 337 14.4 Role of US and MW in Isolation 337 14.5 Fabric Chemistry 338 14.6 Shade Development Process 338 14.6.1 Chemical Mordant 339 14.6.2 Bio-Mordant 339 14.7 Arjun 340 14.8 Neem 340 14.9 Coconut 340 14.10 Harmal 340 14.11 Recent Advances 341 Acknowledgments 344 References 344 Index 349

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Book SynopsisThe alarming level of greenhouse gases in the environment, fast depleting natural resources and the increasing level of industrial effluents, have made every single manufacturing activity come under the scrutiny of sustainability. When all kinds of waste such as clothes, furniture, carpets, televisions, shoes, paper, food wastes etc. end up in the landfill, only a few of them are naturally decomposed and thus a large majority remains as non-biodegradable. It is for this reason, efforts are concentrated to reduce the burden on earth by this waste, and as far as used textile products are concerned, there are now attempts to recycle or up-cycle. This book addresses the role of sustainability by using textile waste in fashion and textiles with respect to manufacturing, materials, as well as the economic and business challenges and opportunities it poses. This wide-ranging book comprises 19 chapters on the various topics including: Solutions for sustainable fashion and texTable of ContentsPreface xxi 1 Overview on Recycling from Waste in Fashion and Textiles: A Sustainable and Circular Economic Approach 1Pintu Pandit, Kunal Singha, Sanjay Shrivastava and Shakeel Ahmed 1.1 Introduction 2 1.2 Importance of Recycling 3 1.3 Challenges in Designing With Post-Consumer Clothing and Benefits of Recycling 4 1.4 The Market for Upcycled Fashion Garments 6 1.5 Recycling Fashion Manufacturers 6 1.6 Sustainable Fibers and Technologies in Textiles and Fashions 7 1.7 The Circular Economy 9 1.8 The Main Characteristic of the Economy 9 1.9 Eco-Labels Concerning Bringing Sustainability 12 1.10 Technological and Sustainable Measures Under Fashion Industry 13 1.11 Consumer Consciousness Along With Corporate Social Obligation 13 1.12 Sharing Economy and Collaborative Consumption 14 1.13 Technological Amendments in Textiles Making It More User Friendly and Environment Friendly 15 1.14 Conclusions 16 2 Challenges for Waste in Fashion and Textile Industry 19Jayant Kumar, Kunal Singha, Pintu Pandit, Subhankar Maity and Amal Ray 2.1 Introduction 20 2.1.1 Annual Global Fiber Consumption (2000–2012) 21 2.2 Major Challenges in Managing Textile and Fashion Wastages 24 2.3 Usage of Renewable Resources to the Maximum 29 2.4 Increase the Life of the Product 29 2.5 Conclusions 31 3 Solutions for Sustainable Fashion and Textile Industry 33Ritu Pandey, Pintu Pandit, Suruchi Pandey and Sarika Mishra 3.1 Introduction 34 3.2 Sustainable Fashion Industry and Green Solutions 35 3.3 Recyclable Used Clothing 44 3.4 Obstacles of Fashion Reuse Businesses 46 3.5 Solutions for Sustainable Textile Industry 47 3.6 Key Points of Counter Measures for Sustainability in Textile Industry 49 3.7 Textile Waste 57 3.8 Use of Textile Production House By-Products, Chemicals, and Water 58 3.9 Textile Industry Effluent and Sludge Treatment Processes 60 3.10 Recent Trends in Wastewater Treatment 62 3.11 International Framework of Environmental Standards, Regulations, and Labels for Sustainability 64 3.12 Conclusion 69 4 Opportunities of Agro and Biowaste in Fashion Industry 73Seiko Jose, Lata Samant, Archana Bahuguna and Pintu Pandit 4.1 Introduction 74 4.2 Agro/Biowaste for Textiles 75 4.3 Agro/Biowastes for Textile Manufacturing 79 4.4 Agro/Biowastes for Textile Wet Processing 84 4.5 Conclusion 94 5 Innovating Opportunities for Fashion Brands by Using Textile Waste for Better Fashion 101Vandana Gupta, Madhvi Arora and Jasmine Minhas 5.1 Introduction 102 5.2 Textile and Apparel Industry 103 5.3 Carbon Foot Prints and Waste Generation From Textile and Apparel Industries 105 5.4 Fashion Brands Working Towards Sustainability Using Textile Waste 109 5.5 Conclusion 117 6 Challenges and Opportunities of Waste in Handloom Textiles 123Pintu Pandit, Sanjay Shrivastava, Sankar Roy Maulik, Kunal Singha and Lokesh Kumar 6.1 Introduction 124 6.2 History of Handloom Textile Industry 126 6.3 Types of Weaving Traditions 127 6.4 Approaches to Rejuvenate the Handloom Weavers 129 6.5 The Performance-Based Factors for Handloom Sector 129 6.6 Challenges for Handloom Textile Waste 131 6.7 Opportunities Towards Handloom Textile Sector 131 6.8 Unraveling the Weaver’s Scenarios: A Case Study on Bhagaiya, Jharkhand 132 6.9 Opportunities for Handloom Weavers Using Natural Resources 139 6.10 Conclusions 147 7 Business Paradigm Shifting: Opportunities in the 21st Century on Fashion From Recycling and Upcycling 151Pintu Pandit, Kunal Singha, Lokesh Kumar, Sanjay Shrivastava and Vinayak Yashraj 7.1 Introduction 152 7.2 Importance of Recycling 152 7.3 Fast Fashion and Slow Fashion Consumers 154 7.4 Impact of Fast Fashion in the Development of Sustainable Materials 155 7.5 Sustainable Fabrics 156 7.6 Challenges in Designing With Post-Consumer Clothes 158 7.7 Market for Recycled Fashion Garments 159 7.8 Indian Upcycling/Recycling Brands: Case Study 160 7.9 International Upcycling/Recycling Brands: Case Study 161 7.10 Fashion Designers: Keeping Textiles and Fashion Alive 164 7.11 Future Prospective for the Fashion Illustration 166 7.12 Current and Future Scope of Industry 170 7.13 Conclusions 174 8 Sustainability in Fashion and Textile 177Pintu Pandit, Bhagyashri N. Annaldewar, Akanksha Nautiyal, Saptarshi Maiti and Kunal Singha 8.1 Introduction 177 8.2 Sustainability 178 8.3 Environmental and Social Impacts of Textile and Fashion Industry 180 8.4 Sustainability in Fashion and Textiles 182 8.5 Sustainable Solutions in Textile and Fashion 182 8.6 Advance Technologies 188 8.7 Eco-Labeling 189 8.8 Barriers in Sustainable Fashion and Textiles 190 8.9 Economic Issues and Product Design 190 8.10 Sustainable Fashion Fibers 190 8.11 Technological and Sustainable Measures Under the Fashion Industry 193 8.12 Conclusions 194 9 Sustainable Strategies From Waste for Fashion and Textile 199Kunal Singha, Pintu Pandit, Subhankar Maity, Rajni Srivasatava and Jayant Kumar 9.1 Introduction 199 9.2 Sustainable Fashion for Brands 203 9.3 Sustainability and Internal Organization-Marketing Strategies 204 9.4 Conclusions 210 10 Utilization of Natural Waste for Textile Coloration— Innovative Approach for Sustainability 215Pradnya Prashant Ambre and Pintu Pandit 10.1 Introduction 216 10.2 Natural Dyes for Their Soothing Shades 218 10.3 Research Studies for Potential Use of Natural Colorants 220 10.4 Functional Health Care Properties of Natural Dyes and Natural Mordants 222 10.5 Innovative Approach Towards Utilization of Natural Waste 225 10.6 Conclusion 230 11 Circular Economy in Fashion and Textile From Waste 235Subhankar Maity, Kunal Singha, Pintu Pandit and Amal Ray 11.1 Introduction 236 11.2 Linear Economy 236 11.3 Shortcomings of Linear Economy 238 11.4 Circular Economy 238 11.5 Principles of Circular Economy 241 11.6 Conclusion 248 12 Marketing Strategies for Upcycling and Recycling of Textile and Fashion 253Suruchi Pandey, Pintu Pandit, Ritu Pandey and Sanjay Pandey 12.1 Introduction 253 12.2 Marketing Mix 255 12.3 Market Analysis 259 12.4 Marketing Strategies for Upcycling and Recycling Textile and Fashion 263 12.5 Innovative Ways to Market 268 12.6 Conclusions 273 13 Economical and Sustainable Price Sensitive Fashion and Apparels Marketplace 277M. D. Teli, Pintu Pandit and Kunal Singha 13.1 Introduction 278 13.2 Sustainable Business Strategies for Fashion Industry 278 13.3 Materials and Methods 280 13.4 Low-Cost Sustainable Upcycling Based on Waste Natural Resources 289 13.5 The Sustainable Fashion Communication Model 290 13.6 Marketing Landscape of Low Cost Fashion and Apparel Consumable Products 291 13.7 Conclusions 295 14 Sustainability Innovations Coupled in Textile and Fashion 299Vikas Kumar, Kunal Singha, Pintu Pandit, Jayant Kumar and Subhankar Maity 14.1 Introduction 299 14.2 Life Cycle Perspective 300 14.3 Sustainability in Textile Industry 306 14.4 Future Textiles for Space Age Materials 315 14.5 Conclusions 317 15 Future Mobilizations and Paths of Waste—Towards Best Solution 321Subhankar Maity, Manoj Kumar Mondal, Pintu Pandit and Kunal Singha 15.1 Introduction 322 15.2 Waste Management Hierarchy 323 15.3 Textile Materials 325 15.4 Circular Economy/Zero Waste 327 15.5 Energy from Waste Strategies 336 15.6 Challenges 337 15.7 Conclusions 337 16 Golden Fiber Jute: A Treasurable Sustainable Material 341Amarish Dubey, Vinay Kumar Chauhan, Ritu Pandey, Mayank Manjul Dubey and Sanjoy Debnath 16.1 Introduction 342 16.2 Jute Cultivation, Distribution, and Production 343 16.3 Indian Jute Industry: An Overview of Glitches and Compensations 345 16.4 Environmental Aspects of Jute 346 16.5 Traditional Applications of Jute 347 16.6 Scientific Mechanical Applications of Jute 348 16.7 Electrical and Electrochemical Applications of Jute 349 16.8 Geotextile Application of Jute 350 16.9 Agro Textile Application of Jute 350 16.10 Medical Textiles Applications of Jute 351 16.11 Jute as a Replacement of Wood 352 16.12 Jute Paper Pulp 353 16.13 Bioenergy Application of Jute 353 16.14 Value Addition of Jute Fibers 355 16.15 Conclusion 356 17 Sustainable Isolation of Natural Dyes from Plant Wastes for Textiles 363Shahid Adeel, Nimra Amin, Fazal-ur-Rehman, Tanvir Ahmad, Fatima Batool and Atya Hassan 17.1 Introduction 364 17.2 Classification of Natural Dyes 364 17.3 Medicinal Uses of Natural Colorants 364 17.4 Mordanting of Natural Dye 376 17.5 Chemical Mordanting 377 17.6 Biomordanting 377 17.7 Recent Advances Used in Natural Dyes 378 17.8 Different Plant Source of Natural Dyes 381 17.9 Conclusion 385 18 Agro-Waste Applications for Bioremediation of Textile Effluents 391Shumaila Kiran, Tanvir Ahmad, Tahsin Gulzar, Asma Ashraf, Syed Ali Raza Naqvi and Saba Naz 18.1 Introduction 392 18.2 Wastewater Treatment 392 18.3 Agro-Waste Materials 393 18.4 Kinds of Agro-Waste Materials 395 18.5 Conclusion 412 19 An Insight Into Herbal-Based Natural Dyes: Isolation and Applications 423Shahid Adeel, Mahwish Salman, Ameer Fawad Zahoor, Muhammad Usama and Nimra Amin 19.1 Introduction 424 19.2 Classification of Natural Dye 424 19.3 Extraction of Natural Dye 426 19.4 Mordanting 427 19.5 Herbal-Based Dye Yielding Plants 428 19.6 Conclusion 448 References 448 Index 457

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Book SynopsisA solid collection of interdisciplinary review articles on the latest developments in adhesion science and adhesives technology With the ever-increasing amount of research being published, it is a Herculean task to be fully conversant with the latest research developments in any field, and the arena of adhesion and adhesives is no exception. Thus, topical review articles provide an alternate and very efficient way to stay abreast of the state-of-the-art in many subjects representing the field of adhesion science and adhesives. Based on the success of the preceding volumes in this series Progress in Adhesion and Adhesives), the present volume comprises 9 review articles published in Volume 6 (2018) of Reviews of Adhesion and Adhesives. The subject of these reviews fall into the following general areas: 1. Adhesion to wood and wood bonds 2. Adhesive joints 3. Adhesion in microelectronic packaging 4. Surface modificationTable of ContentsPreface xiii 1 Adhesion Phenomena Pertaining to Thermal Interface Materials and Solder Interconnects in Microelectronic Packaging: A Critical Review 1 Dinesh P R Thanu, Aravindha Antoniswamy, Roozbeh Danaei and Manish Keswani 1.1 Introduction 2 1.2 Polymer Thermal Interface Material -Metal Interface Adhesion Phenomena 3 1.2.1 Basics of Thermal Interface Material Adhesion 3 1.2.2 Current Status of Thermal Interface Materials and their Bonding Mechanisms 5 1.2.3 Chemical Bonding 6 1.2.4 Mechanical Interlocking 12 1.2.5 Weak Boundary Layer 14 1.3 Ball Grid Array Solder Attach Adhesion Phenomena 14 1.3.1 Solder Alloy Selection 15 1.3.2 Flux Selection 18 1.4 Summary 19 Nomenclature 20 References 21 2 Influence of Silicon-Containing Compounds on Adhesives for and Adhesion to Wood and Lignocellulosic Materials: A Critical Review 25 Marko Petricˇ 2.1 Introduction 26 2.2 An Overview of Compounds and Natural Minerals Containing the Element Si, which are the Most Relevant in the Science and Technology of Lignocellulosics 29 2.2.1 Silica – SiO2 29 2.2.2 Silicates and Clay 30 2.2.3 Silicones 32 2.2.4 Silanes and Silsesquioxanes 33 2.3 Si-containing Compounds in Adhesives and in Lignocellulosic Substrates and their Influence on the Performance of Adhesive Bonds 35 2.3.1 Compounds of Silicon in Adhesives 35 2.3.1.1 Inorganic Compounds of Si (Silica, Silicates, Clay, and Other Inorganic Compounds) 35 2.3.1.2 Organosilicon Compounds in Adhesives 40 2.3.2 Silicon-containing Compounds in Lignocellulosics with Regard to the Properties of Adhesive Bonds 42 2.3.3 Influence of Si in Coatings or in Lignocellulosic Substrates with Regard to Coatings Adhesion to the Substrates 44 2.4 Interactions of the Si Compounds with Lignocellulosics 46 2.4.1 Interactions with Silica 46 2.4.2 Interactions with Silicates 48 2.4.3 Interactions with Silicones 49 2.4.4 Interactions with Organosilicon Compounds and Coupling Agents 50 2.4.4.1 Interactions with Organosilicon Compounds 50 2.4.4.2 Coupling Agents 52 2.5 Wood- and Lignocellulose-based Composites Containing Si Compounds 57 2.5.1 Composites Containing Silica 57 2.5.2 Composites Containing Silicates and Clay 59 2.5.3 Composites Containing Silicones 60 2.5.4 Composites with Organosilicon Compounds 61 2.6 Summary and General Remarks 64 2.7 Acknowledgments 65 References 65 3 Recent Advances in Adhesively Bonded Lap Joints Having Bi-Adhesive and Modulus-Graded Bondlines: A Critical Review 77 Özkan Öz and Halil Özer 3.1 Introduction 77 3.2 Bi-adhesive Joints 80 3.2.1 Numerical and Analytical Studies 80 3.2.2 Experimental Studies 84 3.3 Modulus-Graded Bondline 88 3.3.1 Numerical and Analytical Studies 88 3.3.2 Experimental Studies 91 3.4 Summary 94 Acknowledgement 94 Nomenclature 94 References 94 4 Adhesion between Compounded Elastomers: A Critical Review 99 K. Dinesh Kumar, M.S. Satyanarayana, Ganesh C. Basak and Anil K. Bhowmick 4.1 Introduction 100 4.2 Co-crosslinking 101 4.2.1 Adhesion Between Unvulcanized Rubber (Filled with Crosslinking Agents) and Unvulcanized Rubber (Filled with Crosslinking Agents) by Co-crosslinking 104 4.2.2 Adhesion Between Partially Vulcanized Rubber (Filled with Crosslinking Agents) and Partially Vulcanized Rubber (Filled with Crosslinking Agents) by Co-crosslinking 118 4.3 Adhesion Between Vulcanized Rubber and Unvulcanized Rubber or Partially Vulcanized Rubber 138 4.3.1 Adhesion between Vulcanized Rubber and Unvulcanized Rubber (Filled with Crosslinking Agents) 140 4.3.2 Adhesion between Vulcanized Rubber and Partially Vulcanized Rubber (Filled with Crosslinking Agents) 164 4.4 Adhesion Between Vulcanized Rubber and Vulcanized Rubber 166 4.5 Summary 184 Acknowledgements 186 List of Symbols 186 List of Abbreviations 187 References 189 5 Contact Angle Measurements and Applications in Pharmaceuticals and Foods: A Critical Review 193 Davide Rossi, Paola Pittia and Nicola Realdon 5.1 Introduction 194 5.1.1 Prospects 199 5.2 Contact Angle Measurements in Pharmaceutical Field 200 5.2.1 Pharmaceutical Powders 200 5.2.2 Solvents for Pharmaceutical Use 211 5.2.3 Injectable Solutions for Parenteral Use 218 5.3 Contact Angle Measurements in Foods 222 5.3.1 Solid Foods 222 5.3.2 Liquid Foods and Beverages 231 5.3.3 Food Packaging 234 5.4 Summary 236 Acknowledgement 236 References 237 6 The Formation Processes of Functional Groups at Polyolefin Surfaces on Exposure to Oxygen or Ammonia Plasma: A Critical Review 241 Jörg Friedrich 6.1 Introduction 242 6.1.1 Reasons for Polyolefin Surface Functionalization 242 6.1.2 Energetic Considerations, Thermodynamics and Probability of Reactions 245 6.1.3 Processes on Molecular Level at Polyolefin Surface 249 6.2 Oxygen Plasma Treatment 254 6.2.1 Formation of O Functional Groups at Polyolefin Surfaces on Exposure to Oxygen Plasma 254 6.2.2 Kinetics of Polyolefin Oxidation – Dependence on Parameters 260 6.2.3 Influence of Type of Plasma Gas 262 6.2.4 Influence of Polymer Composition 263 6.2.5 Auto-Oxidation 265 6.2.6 Oxidation by Exposure to Noble Gas Plasmas 267 6.2.7 Generation of OH Groups on the Surface of Polyolefins by Deposition of a Thin Layer of Poly(allyl alcohol) Plasma Polymer 269 6.3 Ammonia Plasma for Introduction of NH2 Groups onto Polyolefin Surfaces 272 6.3.1 Production of Primary Amino Groups on Exposure to Plasma 274 6.3.2 Thermodynamic Aspects 275 6.3.3 Ammonia Plasma 277 6.3.4 Formation of Functional Groups on Exposure to NH3 Plasma 278 6.3.5 Kinetics of N and NH2 Introduction on Exposure to Ammonia or Nitrogen-Hydrogen Plasmas 280 6.3.6 Side-Reactions at Polyolefin Surfaces on Exposure to NH3 Plasma 283 6.3.6.1 Hydrogenation and Dehydrogenation 284 6.3.6.2 Post-Plasma Oxidation 286 6.3.6.3 Nitrile Formation 286 6.3.7 NH2 Groups via Plasma Polymerization of Allylamine and Other N-Precursors 290 6.3.8 Attempts to Increase the Concentration of NH2 Groups by Addition of Ammonia to Allylamine Plasma Polymerization 294 6.3.9 Significant Side-Reactions During and After Plasma Polymerization of Allylamine 294 6.4 Discussion 297 6.5 Summary 303 Acknowledgement 304 References 304 7 Surface Free Energy Determination of Powders and Particles with Pharmaceutical Applications: A Critical Review 315 Frank M. Etzler and Douglas Gardner 7.1 Introduction 315 7.2 Surface Thermodynamic Quantities of Pure Materials 316 7.3 Contact Angle Methods 320 7.3.1 The Zisman Method 320 7.3.2 The van Oss, Chaudhury and Good Method 320 7.3.2.1 Methods for Calculating the van Oss, Chaudhury and Good Parameters 324 7.3.3 The Chang – Chen Method 325 7.4 Determination of Surface Free Energy using IGC and AFM 326 7.4.1 Application of the Fowkes Method to IGC Data 326 7.4.2 Application of the van Oss, Chaudhury and Good Method to IGC Data 328 7.4.3 Application of the Chang-Chen Model to IGC Data 329 7.4.4 AFM Methods 329 7.5 Characterizing Surface Properties by Inverse Gas Chromatography 331 7.5.1 IGC Measurements - Experimental Considerations 332 7.5.2 Finite Dilution IGC 339 7.6 Pharmaceutical Applications 340 7.6.1 Surface Free Energy and Crystal Planes 340 7.6.2 Compaction of Tablets 341 7.6.3 Effects of Processing on Surface Free Energy 342 7.6.4 Performance of Dry Powder Inhalers 344 7.6.5 Powder Flow 345 7.7 Summary 346 References 347 8 Understanding Wood Bonds–Going Beyond What Meets the Eye: A Critical Review 353 Christopher G. Hunt, Charles R. Frihart, Manfred Dunky and Anti Rohumaa 8.1 Introduction: Macroscopic Knowledge for Successful Adhesive Bonding of Wood 353 8.2 Bond Formation (Developing Adhesion) 356 8.2.1 Influence of Wood Structure on Bonding 356 8.2.2 Influence of Wood Surface Quality on Bonding 360 8.2.2.1 Mechanical Damage at the Wood Surface 361 8.2.2.2 Surface Chemistry Barriers to Bonding 365 8.2.3 Adhesive Penetration 367 8.2.3.1 Void Penetration (Bulk Flow) 368 8.2.3.2 Cell Wall Penetration (Infiltration) 370 8.2.4 Adhesive Properties that Influence Void and Cell Wall Penetration 373 8.3 Properties of Adhesive-Wood Assemblies 375 8.3.1 Zones in a Wood Bond 375 8.3.2 How Adhesives Accommodate Wood Swelling 376 8.3.3 Two Classes of Adhesives 377 8.3.4 Methods for Determining Void and Cell Wall Penetration 379 8.2.4.1 Quantifying Depth of Void Penetration 386 8.3.5 Shortcomings of Standardized Tests 387 8.4 A More Detailed Approach than Standard Wood Failure Analysis 388 8.4.1 Going Beyond What Meets the Eye to Understand Epoxy Failure 389 8.4.2 Using SEM to Detect Brittle Failure in UF 391 8.4.3 Alternative Mechanical Methods of Testing for More Information 391 8.5 Unresolved Questions in Wood Bonding Research 393 8.5.1 How Do We Make Wood Surfaces Better for Bonding? 393 8.5.2 Does the Adhesive Have Good Penetration into the Wood Structure? 394 8.5.3 How Does the Adhesive Interact with the Wood at the Nanoscale and Molecular Level? 394 8.5.4 Can We Improve the Resistance of Bonds to the Dimensional Changes in Wood with Variation in Moisture? 395 8.5.5 How do Primers Work? 395 8.5.6 Where Does the Bond Failure Initiate and How Does it Propagate? 396 8.5.7 How Do We Optimize the Benefits of Cell Wall Penetration? 396 8.5.8 How Does the Adhesive Form a Suitable Polymer Matrix to Bridge Between the Two Wood Surfaces? 397 8.5.9 Will Adhesives Based on Renewable Resources be the Future in Wood Bonding? 397 8.5.10 How Much the Experience with Solid Wood Bonding can be Used to Understand Wood Based Particulate Bonding? 398 8.5.11 How Do We Compare Results Obtained in Different Laboratories with Different Wood Species with Different Adhesives? 398 8.6 Summary 399 List of Abbreviations 399 References 400 9 Dispersion Adhesion Forces between Macroscopic Objects–Basic Concepts and Modelling Techniques: A Critical Review 421 Youcef Djafri and Djamel Turki 9.1 Introduction 421 9.2 Basic Concepts 422 9.3 Modeling Techniques 424 9.3.1 The Microscopic Theory (Hamaker’s Approach) 424 9.3.2 The Proximity-Force Approximation 426 9.3.3 The Retardation Effect 427 9.3.3.1 The Retarded vdW Forces 427 9.3.3.2 Retardation in Macroscopic Bodies 428 9.3.4 The Casimir Effect 429 9.3.5 Worldline Calculations of the Casimir Effect 431 9.3.6 The Macroscopic Theory of Van der Waals Forces (DLP Method) 431 9.3.7 The Coupled Dipole Method 434 9.4 Discussion and Prospects 437 9.5 Summary 438 References 439

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Book SynopsisREVIEWS IN COMPUTATIONAL CHEMISTRY THE LATEST VOLUME IN THE REVIEWS IN COMPUTATIONAL CHEMISTRY SERIES, THE INVALUABLE REFERENCE TO METHODS AND TECHNIQUES IN COMPUTATIONAL CHEMISTRY Reviews in Computational Chemistry reference texts assist researchers in selecting and applying new computational chemistry methods to their own research. Bringing together writings from leading experts in various fields of computational chemistry, Volume 32 covers topics including global structure optimization, time-dependent density functional tight binding calculations, non-equilibrium self-assembly, cluster prediction, and molecular simulations of microphase formers and deep eutectic solvents. In keeping with previous books in the series, Volume 32 uses a non-mathematical style and tutorial-based approach that provides students and researchers with easy access to computational methods outside their area of expertise. The chapters comprising Volume 32 are connected by two themes: methods that can be broTable of ContentsList of Contributors ix Preface xi Contributors to Previous Volumes xv 1 Non-Deterministic Global Structure Optimization: An Introductory Tutorial 1Bernd Hartke List of abbreviations 1 Introduction 2 The Need for Structural Optimization 2 Search Space is Vast 3 Deterministic vs Non-Deterministic Search 5 Fundamental Take-Home Lessons 8 A Closer Look at Some NDGO Background Details 8 Too Inspired by Nature 8 No Free Lunch 11 NDGO Algorithm Comparisons 14 Barrier Crossing 15 Old vs New Machine Learning 19 Take-Home Lessons for NDGO Background Details 20 General Guidelines for NDGO Applications 21 Brief Summary of Some Fundamental NDGO Algorithm Ideas 21 NDGO Method Design Choices 22 NDGO Tips for Absolute Beginners 28 Things to Do, and Pitfalls to Avoid 31 Recent Highlights 32 References 34 2 Density Functional Tight Binding Calculations for Probing Electronic-Excited States of Large Systems 45Sharma S.R.K.C. Yamijala, Ma. Belén Oviedo, and Bryan M. Wong Introduction 45 Real-Time Time-Dependent DFTB (RT-TDDFTB) 46 Theory and Methodology 46 Tutorial on RT-TDDFTB Electron Dynamics for a Naphthalene Molecule 49 Absorption Spectrum for Naphthalene 49 Electron Dynamics of Naphthalene with a Laser-Type Perturbation 51 RT-TDDFTB Electron Dynamics of a Realistic Large Systems 51 DFTB-Based Nonadiabatic Electron Dynamics 59 Adiabatic vs Nonadiabatic Dynamics 59 Equations Governing Nonadiabatic Electron Dynamics 61 The Classical Path Approximation 62 Surface Hopping and Fewest Switches Criterion 63 Implementation Details of CPA-FSSH-DFTB 65 Post-processing Tools 67 Computational Details 67 An Example on Charge Transfer Dynamics in Organic Photovoltaics 68 Conclusion and Outlook 72 Acknowledgments 72 References 73 3 Advances in the Molecular Simulation of Microphase Formers 81Patrick Charbonneau and Kai Zhang Introduction 81 Block Copolymers 83 Surfactants and Microemulsions 84 Lattice Spin Systems 87 Colloidal Suspensions 87 Other Examples 90 Field Theory of Microphase Formation 90 Molecular Simulations and Challenges 91 Simulating Periodic Microphases 93 Expanded Thermodynamics 94 Thermodynamic Integration for Microphases 95 Ghost Particle/Cluster Switching Method 100 Cluster Volume Moves 103 Determining Phase Transitions 105 Simulations of Disordered Microphases 106 Wolff-Like Cluster Algorithms 106 Virtual Cluster Moves 107 Aggregation Volume Biased (AVB) Moves 109 Morphological Crossovers in the Disordered Regime 110 Microphase Formers Solved by Molecular Simulations 112 One-Dimensional Models 112 Lattice Spin Models 113 Colloidal Models 117 Conclusion 118 Free Energy of an Ideal Gas in a Field 119 Constant pressure Simulations of Particles in A Field 120 Virial Coefficients of Particles in a Field 120 Acknowledgments 122 References 122 4 Molecular Simulations of Deep Eutectic Solvents: A Perspective on Structure, Dynamics, and Physical Properties 135Shalini J. Rukmani, Brian W. Doherty, Orlando Acevedo, and Coray M. Colina Introduction 135 Deep Eutectic Solvents 137 Definition of Deep Eutectic Solvents 137 DES as Ionic Liquid Analogues 137 Molecular Structure of DESs and Type of Interactions 140 Types of DES 142 Molecular Simulation Methods 143 An Overview of Ab Initio Methods 145 Classical Molecular Dynamics at the Atomic Level 149 Nonpolarizable Force Fields used for DES Simulations 153 Physical Properties 159 Liquid Density 159 Volume Expansivity 162 Surface Tension 162 Thermodynamic Properties 164 Heat Capacity 164 Heats of Vaporization 168 Isothermal Compressibility 169 Transport Properties 170 Viscosity 170 Diffusion Coefficients 178 Deep Eutectic Solvent Structure 183 Radial Distribution Functions 183 Hydrogen Bond Analysis 189 Spatial Distribution Functions 196 Application of DES Through Simulation 196 Gas Sorption Studies on DES 196 DES Interactions at Metal Surfaces 198 Proteins in DES 199 Summary 200 Acknowledgments 201 References 201 Index 217

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Book SynopsisThis proceedings contains a collection of 22 papers presented at the 2018 Materials Science and Technology Meeting (MS&T''18) held in Columbus, Ohio, October 14-18, 2018. Symposia topics included in this volume are: Advances in Dielectric Materials and Electronic Devices Innovative Processing and Synthesis of Ceramics, Glasses and Composites International Symposium on Ceramic Matrix Composites Materials for Nuclear Applications and Extreme Environments Nanotechnology for Energy, Environment, Electronics, Healthcare and Industry Processing and Performance of Materials Using Microwaves, Electric and Magnetic Fields, Ultrasound, Lasers, and Mechanical Work Rustum Roy Symposium Additive Manufacturing of Composites and Complex Materials Eco-Friendly and Sustainable Ceramics Table of ContentsPreface ix Advances in Dielectric Materials and Electronic Devices Effect of Atmosphere on Dielectric Properties of Calcium Copper Titanate Ceramics 3 Disna P. Samarakoon, Nirmal Govindaraju, and Raj N. Singh Integrated Piezoelectric and Thermoelectric Sensing and Energy Conversion 15 Bryan Gamboa, Maximilian Estrada, Albert Djikeng, Daniel Nsek, Shuza Binzaid, Samer Dessouky, Amar S. Bhalla, and Ruyan Guo Experimental and Numerical Evaluation of Stacked Piezoelectrics for Mechanical Energy Harvesting 23 Bryan Gamboa, Ruyan Guo, and Amar S. Bhalla Temperature Dependent Measurements of Dielectric Properties for Sugary Carbonated Solutions Prepared in Various CO2 Pressure Conditions 31 Carlos Acosta, Amar Bhalla, and Ruyan Guo Pyrolytic Graphite-Copper Thermocouple for Non-Invasive Direct Temperature Measurement 39 Abdul-Sommed Hadi, Jonathan Lann, Tyler Fricks, and Bryce E. Hill Development of Ferroic and Multiferroic Nanomaterials for Drop-on-Demand Microfabrication 49 Brandon D. Young, Bryan Gamboa, Denise Alanis, Luiz Cotica, Amar Bhalla, and Ruyan Guo Synthesis of High Curie Temperature La2Ti2O7 Piezoceramic by Mechanochemical Activation: A Preliminary Investigation 59 Kaustubh Ramesh Kambale, Ajit R. Kulkarni, Narayanan Venkataramani, Amruta Vairagade, and Sandeep Butee Innovative Processing and Synthesis of Ceramics, Glasses and Composites Morphological Transition and Evolution of Shapes in Glassy State; Barium Strontium Titanate Dielectric Capacitor Material 69 N. B. Singh, Ching Hua Su, Fow-Sen Choa, Brad Arnold, Lisa Kelly, K. D. Mandal, Narayan Singh, S. Pandey, and Christopher Cooper International Symposium on Ceramic Matrix Composites Advanced Environmental Barrier Coatings for SiC CMCs 83 Larry Fehrenbacher, David Kroliczek, Jeffrey Kutsch, Igor Vesnovsky, Erik Fehrenbacher, Anindya Ghoshal, Michael Walock, Muthyvel Murugan, and Andy Nieto Materials for Nuclear Energy Applications Density Functional Theory Modeling of Cation Diffusion in Bulk Tetragonal Zirconia 97 Yueh-Lin Lee, Yuhua Duan, Dane Morgan, Dan C. Sorescu, Harry Abernathy, and Gregory Hackett Identifying a First Principles Descriptor for Tritium Diffusivities in Lithium Metal Oxides for Tritium Producing Burnable Absorber Rod Applications 111 Yueh-Lin Lee, Caroline Fedele, Hari P. Paudel, Dan C. Sorescu, Yuhua Duan Optimizing Processing Conditions for Thorium Dioxide Using Spark Plasma Sintering 121 Anil Prasad, Linu Malakkal, Lukas Bichler, and Jerzy Szpunar Nanotechnology for Energy, Environment, Electronics, Healthcare and Industry Applications The Development and Characterization of Mechanically Exfoliated Graphite Based Counter Electrode for Natural Dye Sensitized Solar Cell (DSSC) 135 M.U. Manzoor, M.T.Z. Butt, M.S. Dar, M.H. Ashraf, T. Ahmad, and M. Kamran Processing and Performance of Materials Using Microwaves, Electric and Magnetic Fields, Ultrasound, Lasers, and Mechanical Work -- Rustum Roy Symposium The Effects of Microwave Radiation on the Digestion of Gibbsite by Sodium Hydroxide 143 Ben Dillinger, Carlos Suchicital, David Clark, Andrew Batchelor, Chris Dodds, and Sam Kingman Effects of Pore Size and Heating Method on Drying Porous Fused Silica 157 Peter W. Loomis and David E. Clark Microstructure and Microtexture of Induction Sintered Copper-based Powder Metal Parts 167 Daudi Waryoba Interpreting Non-Thermal Microwave Effects on Materials Process Enhancements – A Straightforward Irreversible Thermodynamic Approach 181 Boon Wong Biofilm Formation Behaviors Formed by E.Coli Under Weak Alternating Electromagnetic Fields 195 Hideyuki Kanematsu, Takaya Katsuragawa, Dana M. Barry, Keiya Yokoi, Senshin Umeki, Hidekazu Miura, Koji Suzuki, Akiko Ogawa, Nobumitsu Hirai, Takeshi Kougo, Daisuke Kuroda, and Stefan Zimmerman Advances in Eco-Friendly and Sustainable Materials Evaluation of Durability of Hydraulic Concrete with Colombian Aggregates: An Industrial Byproduct and a Mitigating Addition of The Reaction Alkali-Silica 213 Guilliana Agudelo, Carlos A. Palacio, and Henry A. Colorado Mechanical and Physical Characterization of the Natural Fiber Luffa Cylindrica for Its Possible Use in Contact Sports Equipment: 1st Stage 225 Alejandro Restrepo Carmona, and Henry A. Colorado Waste Tire Rubber in Calcium Phosphate Cement Blends 237 Carlos F. Revelo, and Henry A. Colorado Fabrication by Additive Manufacturing of Clay with Electric Arc Furnace Steel Dust (EAF Dust) 249 Edisson Ordoñez and Henry A. Colorado

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Book SynopsisROTATING MACHINERY This third volume in a broad collection of current rotating machinery topics, written by industry experts, is a must-have for rotating equipment engineers, maintenance personnel, students, and anyone else wanting to stay abreast with current rotating machinery concepts and technology. Rotating Machinery Fundamentals and Advances represents a broad category of equipment, which includes pumps, compressors, fans, gas turbines, electric motors, internal combustion engines, etc., that are critical to the efficient operation of process facilities around the world. These machines must be designed to move gases and liquids safely, reliably, and in an environmentally friendly manner. To fully understand rotating machinery, owners must be familiar with their associated technologies, such as machine design, lubrication, fluid dynamics, thermodynamics, rotordynamics, vibration analysis, condition monitoring, maintenance practices, reliability theory, and otheTable of ContentsPreface xix Acknowledgements xxi Part 1: Condition Monitoring 1 1 An Introduction to Machinery Monitoring 3 By Robert X. Perez 2 Centrifugal Pump Monitoring, Troubleshooting and Diagnosis Using Vibration Technologies 15 By William D. Marscher Introduction 15 Vibration Definitions 16 How Vibration vs. Time Relates to a Vibration vs. Frequency “Spectrum” 18 What are Reasons for Excess Vibration? 19 Relationship of Vibration to Centrifugal Pump Acceptability and Reliability 20 Vibration Standards, Informal and Formal: Intent and Basis 21 Vibration Measurement Form 22 Vibration Detection Sensors 25 Accelerometers 26 Proximity Probes 27 Motion Magnified Video (aka Vibration Video Amplification) 28 International Vibration Acceptance Standards 30 Pump Components Playing Key Roles in Vibration Diagnostics 33 Rotor Support by Bearings: Fluid Film Journal Bearings vs. Rolling Element Bearings 33 Rotor Support by Seals: Annular Seal “Lomakin Effect” 35 Couplings 38 Bearing Housings and Attachment Bolts 39 Pump Casing, Feet, and Foot Attachment Bolts 39 Pump Pedestals, Baseplate, and Foundation 40 Piping, Suction, and Discharge 40 Pump Drivers 43 Evaluating Causes of Excess Vibration: Excitation vs. Amplification 43 Process of Resonant Amplification due to Coincidence of Excitation and Natural Frequencies 45 Impact Test Method of Determining Natural Frequencies 46 Specific Forces in Centrifugal Pumps 48 Mechanical Excitation Forces 48 Balance 48 Misalignment 50 Mechanical Forces Due to Dry Running Pump, Dry Running Seal, Overtightened Seal 52 Hydraulic Forces and Blade Passing Frequency 52 Hydraulic Vibration Forces Below Running Speed, Including Subsynchronous Whirl 54 Detection of Effects of Cavitation 57 Torsional Excitations 59 Vibrations Particular to Various Centrifugal Pump Types 62 Vertical Turbine Pump Evaluation 62 Vertical Dry Pit Pump Vibration Issues 65 Submersible Pump Vibration Issues 65 End Suction Overhung Single Stage Pump Vibration Issues 66 Between Bearing Double Suction Single Stage Pump Vibration Issues 66 Horizontal Multistage Pump Vibration Issues 67 Steps in Pump Evaluation through Vibration Monitoring 68 Use of the Bode and Nyquist Plots to Confirm Natural Frequencies 70 Operating Deflection Shapes (ODS) 71 Conclusions 73 Nomenclature 73 References & Bibliography 74 Acknowledgements 75 3 Proximity Probes are a Good Choice for Monitoring Critical Machinery with Fluid Film Bearings 77 By Robert X. Perez Proximity Probe Benefits 77 Theory of Operation 78 Runout Concerns 80 Grounding and Noise 80 Shaft Orbits 81 General Machinery Monitoring Recommendations 82 Final Thoughts 85 References 86 4 Optimizing Lubrication and Lubricant Analysis 87 By Jim Fitch and Bennett Fitch Introduction 87 Optimum Reference State 88 Lubrication Excellence and the Ascend Chart 91 Bringing Awareness to Lubrication, Contamination, and Oil Analysis 94 What You Might Not Know About Lubrication 94 Machine Surface Interaction 94 The Lubricant Film 95 Film Strength 96 Unlubricated Surface Interactions 96 Friction and Wear Generation 96 Mitigating Surface Interactions 97 Physics and Chemistry 97 Contamination: The Antagonist to Lubrication 98 Contamination Control and Condition Monitoring is More Often about Training than Advanced Technology 98 Contamination Control 99 Don’t Leave It to Instinct 99 Creating a Balance Between Exclusion and Removal 100 Why Perform Oil Analysis 102 Fluid Properties Analysis 102 Contamination Analysis 103 Wear Debris Analysis 103 Achieving Oil Analysis Success by Looking Holistically 103 Obtaining a Representative Oil Sample 105 Select the Right Machines for Oil Analysis 105 Clean and Correct Sampling Containers and Extraction Tools 105 Correctly Located Sampling Ports 106 Proper Sampling Frequency 107 Proper and Consistent Sampling Procedures 107 Forward Samples Immediately to the Laboratory 108 Ensuring Reliable Testing 108 Certified Training of Laboratory Technicians 108 Optimized Selection of Tests 109 Onsite Oil Analysis 109 Determining the Optimum Course of Action 110 Effective Organization of Analysis with Proper Trending 110 Accurate Data Interpretation by the Laboratory 110 Enhanced Data Interpretation by the End-User 111 Take Corrective Action and Determine the Root Cause 112 Continuous Improvement and Key Performance Indicator (KPI) 112 Oil Analysis Tests 112 Viscosity 113 Acid Number and Base Number 113 Ftir 114 Elemental Analysis 114 Particle Counting 114 Moisture Analysis 115 Interpreting Oil Analysis Reports 116 Following the Data Trends 118 Looking Back at the Past 123 Inspection 2.0: Advances in Early Fault Detection Strategy 124 Low-Hanging Fruit 124 Inspection Frequency Trumps High Science 125 Beware of Short P-F and Sudden-Death Failures 127 Inspection Windows and Zones 128 Inspection 2.0 is a Nurturing Strategy 129 Final Tips to Help Error-Proof Your Lubrication Program 130 References 134 5 Troubleshooting Temperature Problems 135 By Robert X. Perez Temperature Assessments 135 How do Infrared Thermometers Work? 136 Bearing Temperature Trending 137 Rolling Element and Sleeve Bearing Temperature Guidelines 139 Rule of Thumb for Rolling Element Bearings: 142 Bearing Temperature Guidelines for Instrumented Hydrodynamic Bearings 142 Recommended Guidelines for Babbitt Bearings 142 Bearing Temperature Sensor Placement 143 Sleeve Bearings 143 Tilting Pad Journal (TPJ) Bearings-Load on Pad 144 Tilting Pad Journal Bearings-Load between Pads 144 Thrust Bearings-Tilting Pad 144 General Temperature Probe Installation Guidelines 145 Compressor Discharge Temperature Assessments 146 Heat of Compression 146 Types of Compression Processes 147 Adiabatic Compression 148 Polytropic Compression 152 Polytropic Example 1: 154 Polytropic Example 2: 154 Why Compression Ratio Matters 155 What Role It Plays in Compressor Design and Selection 155 Compression Ratio versus Discharge Temperature 155 Design Temperature Margin 158 Design Tradeoffs 159 Reciprocating Compressor Temperature Monitoring 160 Valve Temperature Monitoring 162 Temperature Monitoring Example 164 Summary 165 References 165 6 Assessing Reciprocating Compressors and Engines 167 By Robert X. Perez Overview of Reciprocating Compressors 169 General Monitoring Guidelines for Reciprocating Compressors 174 Impact Monitoring 177 Rod Drop Monitoring 178 Using Ultrasonics to Assess Reciprocating Machinery 178 Mystery Reciprocating Compressor Knock 179 Natural Gas Engines 181 How Accurate are Rotating Equipment and Reciprocating Equipment Analyst Findings? 190 References 193 7 Managing Critical Machinery Vibration Data 195 By Robert X. Perez Beware of False Positives and False Negatives 195 Vibration Analysis Strategies 197 Part 2: Troubleshooting 201 8 Addressing Reciprocating Compressor Piping Vibration Problems: Design Ideas, Field Audit Tips, and Assessment Methods 203 By Robert X. Perez Piping Restraints 205 Pipe Clamping Systems 207 Guidelines 207 Preloading Clamp Bolts 209 Piping Assessment Steps 210 Small-Bore Piping 211 Attaching Pipe Clamps to Structural Members 212 The Ideal Pipe Clamp Installation 213 Installation Examples 214 Collecting and Assessing Piping Vibration 217 Piping Analysis Steps 220 Piping Vibration Examples 221 Bolt Torque Tables 223 Chapter Glossary 224 9 Remember to Check the Rotational Speed When Encountering Process Machinery Flow Problems 227 By Robert X. Perez 10 Troubleshooters Need to be Well Versed in the Equipment They are Evaluating 233 By Robert X. Perez What is the Difference Between Troubleshooting and Conducting a Failure Analysis? 236 Equipment Details 237 Performance Characteristics 238 Centrifugal Compressors 238 Reciprocating Compressors 239 Basic Fluid Film Bearing Troubleshooting Tips 240 Design Basis: Speed, Pressures, Flows 241 System Design Details 243 OEM Recommendations 244 History 244 Putting it All Together 245 11 Precise Coupling Properties are Required to Accurately Predict Torsional Natural Frequencies 247 By Robert X. Perez Introduction 247 Case Study 247 Start-Up Issues 249 Field Vibration Study 249 Lesson Learned 252 Final Thoughts 253 12 Is Vibration Beating on Machinery a Problem? 255 By Robert X. Perez and Andrew P. Conkey What is Vibration Beating? 255 Zoom FFT (Fast Fourier Transform) Analysis 257 Electric Motor Zoom Analysis 258 Field Case Study: “Beating” Effect Caused by Two Closely Spaced Mechanical Frequencies Observed on Two-Shaft, Gas Turbine Drive 259 Background Information 260 Vibration Response Analysis 261 Investigation of System and Analysis 261 Frequency Analysis 262 Case Study Solution 263 Case Study Conclusions and Lessons Learned 263 Final Comments 263 References 264 Part 3: Reliability 265 13 Using Standby Machinery to Improve Process Reliability 267 By Robert X. Perez Introduction 267 Basic Reliability Theory 267 Exercising Spared Machinery 273 Alternating Twin, Non-Critical, Process Pumps 273 Recommended Swapping Procedures for Critical Motors, Pumps, Blowers, Compressors, Generators, and Steam Turbines 274 Recommended Swapping Procedures for Reciprocating Process Plant Machinery above 200 HP 275 Raptor Modeling Software 276 Modeling Examples 277 Example 1: Unspared Compressor 278 Example 2: Main and Spare Compressor Installation 279 Example 3: Two out of Three (2oo3) Compressor Configuration 280 The Cost of Redundancy 282 Example 4: Cost of Unreliability 283 Economics 284 Justifying of a Spare Compressor 285 Closing Thoughts 287 References 287 14 Gas Turbine Drivers: What Users Need to Know 289 By Robert X. Perez Overview 289 Theory of Operation 292 How Does a Gas Turbine Work? 292 Air Compressor 294 Combustors 296 Transition Pieces 297 Expansion Turbine 298 Turbine Section Challenges and Solutions 299 Two Shaft Gas Turbine Construction Details 301 Gas Producer 301 Lower Pressure Power Turbine (LP) 301 Typical Conditions Inside an Industrial Gas Turbine 303 Effect of Atmospheric Conditions 304 Gas Turbine Controls 305 Protection 305 Fuel and Fuel Treatment 306 Gas Fuels 306 Degradation and Water Washing 306 Advanced Materials for Land Based Gas Turbines 307 Blade Degradation 308 Condition Monitoring Approaches 309 Aerothermal Performance Analysis 309 Vibration Analysis 310 Transient Analysis 311 Mechanical Transient Analysis 311 Dynamic Pressure Analysis 312 Lube Oil Debris Analysis 312 Borescope Inspection 312 Condition Monitoring as a System 313 Gas Turbine Maintenance Inspections 313 Standby Inspections 314 Running Inspections 314 Combustion Inspections 316 Hot Gas Path Inspections 316 Major Inspections 316 Life Cycle Management 318 Non-Destructive Testing (NDT) 320 Spare Parts 321 Final Words of Advice 322 References 323 15 Reliability Improvement Ideas for Integrally Geared Plant Air Compressors 325 By Abdulrahman Alkhowaiter Integrally Geared Plant Air Compression Packages 325 Reliability Concerns 327 Developing Enhancements for Air Compressor Reliability and Performance 330 Reliability Improvement Program to Achieve Reliability and Eliminate Frequent Failures 330 Reliability Improvements (based on 2008 Report) Made to Five (5) 850 HP Air Compressor Failures by Engineering and Maintenance: 331 16 Failure Analysis & Design Evaluation of a 500 KW Regeneration Gas Blower 341 By Abdulrahman Alkhowaiter Introduction 341 Detail Design Analysis 343 Conclusion 349 Needed Action by Repair Shop 350 Action Required by Refinery 350 17 Operating Centrifugal Pumps with Variable Frequency Drives in Static Head Applications 353 By Robert X. Perez VFD Advantages 354 Static Head Systems 356 Recommended Startup Sequence 359 Final Thoughts 362 References 362 18 Estimating Reciprocating Compressor Gas Flows 363 By Robert X. Perez Swept Volume 364 Clearance Volume 365 Volumetric Efficiency 365 Flow Calculation Example 370 Factors Affecting Compressor Flow 371 Final Words 371 19 Use Your Historical Records to Better Manage Time Dependent Machinery Failure Modes 373 By Robert X. Perez Part 4: Professional Development 379 20 Soft Skills and Habits that All Machinery Professionals Need to Develop 381 By Robert X. Perez Asking Probing Questions 383 Listening More Carefully 384 Observing 385 Continuously Learning 386 Praising 387 Teaching 388 Closing Remarks 390 21 Developing Rotating Machinery Competency 391 By Robert X. Perez Part I: Preparing Students to Work with Rotating Machinery 391 Rotating Machinery Related Job Functions 391 Part II: Steps to Improving Rotating Machinery Competency: Study-Practice-Share 396 About the Editor 403 About the Contributors 405 Index 409

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Book SynopsisThis proceedings contains a collection of 21 papers presented at the 79th Conference on Glass Problems held November 4-8, 2018 in Columbus, Ohio. Papers touch on topics critical to glass manufacturers including melting and combustion; refractories; forming; and environmental issues.Table of ContentsForeword x Preface xi Acknowledgments xiii Plenary Session Challenges and Progress in Understanding Glass Melting 3 Mathieu Hubert and Irene Peterson Cullet Supply Issues and Technologies 15 David M. Rue Glass Surface Modifications for New Products in the 21st Century 29 J.W. McCamy, A. Ganjoo, and C-H Hung Flat Glass Manufacturing Before Float 37 Luke Kutilek Towards the Path for De-Carbonization-Understanding Legislative Challenges 55 Jim Nordmeyer Dry Sorbent Injection System Optimization and Cost Reduction Potential Through Data Analysis 65 Gerald Hunt, Ian Saratovsky, and Melissa Sewell Melting and Combustion Model Predictive Control and Monitoring of the Batch Coverage and Shape, and Its Effects Upon the Crown Temperature. Can this be Correlated to the Overall Glass Quality and Stability in a Glass Furnace? 87 Erik Muijsenberg, Robert Bodi, Menno Eisenga, and Glenn Neff Optimization of Energy Efficiency, Glass Quality and NOx Emissions in Oxy-Fuel Glass Furnaces Through Advanced Oxygen Staging 101 Mark D. D’Agostini, and Bill Horan Staged, Oxy-Fuel Wide Flame Burners to Mitigate Refractory Port Fouling and Foaming in Glass Furnaces 117 Gaurav Kulkarni, Uyi Iyoha, Shrikar Chakravarti, Patrick Diggins III, Arthur Francis, and Gregory J. Panuccio Industry 3.9 Thermal Imaging Using the Near Infrared Borescope (NIR-B) 125 N. G. Simpson, S. F. Turner, and M. Bennett Refractories INNOREG: Going Beyond a Well-Known Solution for Thermal Regenerators 141Stefan Postrach and Elias Carrillo Advanced Post Mortem Study, From Digital Survey to Micro Scale Analysis 151 Emile Lopez, Jean-Gaël Vuillermet, Isabelle Cabodi and Michel Gaubil Digitally Mapping the Future of Glass Furnaces with Lasers 157Bryn Snow, Crawford Murton, Corey Foster, and Ulf Hermansson SORG 340S+® Forehearths - Improvements and Operational Data 169Rüdiger Nebel Energy Recovery with a New Type of Tin Bath Cooler 177Wolf Kuhn, Peter Molcan, and Stephane Guillon Chemical Strengthening of Silicate Glasses: Dangerous and Beneficial Impurities 191 Vincenzo M. Sglavo Environment Operating Experience with the OPTIMELTTM Heat Recovery Technology on a Tableware Glass Furnace 201 M. van Valburg, F. Schuurmans, E. Sperry, S. Laux, R. Bell, A. Francis, S. Chakravarti and H. Kobayashi Continuously Measuring CO and O2 to Optimize the Combustion Process 213 Lieke de Cock, Vincent van Liebergen, and Marco van Kersbergen Mitigation Options for Respirable Crystalline Silica: Engineering Controls vs. Personal Protection 219 Kyle Billy Future of Glass Melting in a World with Stringent Reductions of Carbon Dioxide 227 Stuart Hakes

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Book SynopsisDesign, Modeling, and Reliability in ROTATING MACHINERY This broad collection of current rotating machinery topics, written by industry experts, is a must-have for rotating equipment engineers, maintenance personnel, students, and anyone else wanting to stay abreast with current rotating machinery concepts and technology. Rotating machinery represents a broad category of equipment, which includes pumps, compressors, fans, gas turbines, electric motors, internal combustion engines, and other equipment, that are critical to the efficient operation of process facilities around the world. These machines must be designed to move gases and liquids safely, reliably, and in an environmentally friendly manner. To fully understand rotating machinery, owners must be familiar with their associated technologies, such as machine design, lubrication, fluid dynamics, thermodynamics, rotordynamics, vibration analysis, condition monitoring, maintenance practices, reliability theory, and other topics. ThTable of ContentsPreface xiii Acknowledgements xv Part 1: Design and Analysis 1 1 Rotordynamic Analysis 3By William D. Marscher Introduction 3 Rotor Vibration – General Physical Concepts 4 Rotor Vibration – Mathematical Description 6 Natural Frequencies and Resonance 6 Critical Speed Analysis 10 Phase Angle, and Its Relationship to Natural Frequency 15 Gyroscopic Effects 16 Accounting for Bearings 18 Cross-Coupling Versus Damping and “Log Dec” 20 Annular Seal “Lomakin Effect” 21 Fluid “Added Mass” 23 Casing and Foundation Effects 24 Lateral Vibration Analysis Methods for Turbomachinery and Pump Rotor Systems 25 Manual Methods Single Stage 25 Computer Methods 26 Forced Response Analysis 30 Mechanical Excitation Forces 32 Balance 32 Fluid Excitation Forces 37 Impeller Reaction Forces 37 Impeller Active Forces 38 Rotordynamic Stability 43 Subsynchronous Whirl & Whip 43 Stabilizing Component Modifications 47 Vertical Turbine Pump Rotor Evaluation 48 Conclusions 51 Nomenclature 52 Acknowledgements 53 References 53 2 Torsional Analysis 57By William D. Marscher Introduction 58 General Concerns in the Torsional Vibration Analysis of Pump and Turbomachinery Rotor Assemblies 58 Predicting Torsional Natural Frequencies 59 Torsional Excitations 63 Torsional Forced Response 68 Case History 72 Conclusions 73 Nomenclature 79 Acknowledgements 79 References 80 3 Hydrodynamic Bearings 83By John K. Whalen API Mechanical Equipment Standards for Refinery Service 83 Bearings 84 Hydrodynamic Lubrication 85 Tower’s Experiments 86 Reynolds Equation 88 Stribeck Curve 93 Journal Bearings 94 Dynamic Coefficients 101 Tilting Pad Journal Bearings 103 Pivot Types 107 Lubrication Methods 117 Thrust Bearings 120 A Note on Thrust Bearing Diameters 122 Fixed Geometry Thrust Bearings 122 Pivot Types 127 Lubrication 127 Increasing Load Capacity 130 Babbitt 131 Polymer-Lined Bearings 132 Current and Future Work 134 References 135 4 Understanding Rotating Machinery Data Trends and Correlations 139By Robert X. Perez Pattern Recognition 139 Static Versus Dynamic Data 141 Trends 142 Flat Trends 142 Trends with Step Changes 144 Upward and Downward Trends 146 Cyclic Trends 148 Is It the Machine or the Process? 148 Correlations 149 “Correlation Does Not Imply Causation” 151 Combination Trends 154 Exponential Growth Trends 155 Erratic Trends 160 Induced Draft Fan Experiences Unpredictable Vibration 160 Erratic Vibration Related to Rotor Instability 161 Some Rules of Thumb 162 5 An Introduction to Sizing General Purpose Steam Turbines 165By Robert X. Perez and David W. Lawhon Why Do We Use Steam Turbines? 165 How Steam Turbines Work 165 Steam Generation 167 Waste Heat Utilization 168 The Rankine Cycle 169 General Purpose Steam Turbine Sizing 170 General Purpose, Back Pressure, Steam Turbines 170 Single Stage Back Pressure Steam Turbine 170 Sizing Procedure 171 Closing Comments 185 6 Making the Business Case for Machinery Upgrades 187By Robert X. Perez Payback Time Examples 190 Closing Thoughts 193 Part 2: Compressors 195 7 Selecting the Best Type of Compressor for Your Application 197By Robert X. Perez Example of How to Convert from SCFM to ACFM 200 Compressibility Factor (Z) 200 Compressor Selection Example 201 Summary 205 Addendum 207 Demystifying Compressor Flow Terms 207 Ideal Gas Law 208 Examples of How to Convert from SCFM to ACFM 210 Visualizing Gas Flow 211 Compressibility Factor (Z) 212 8 Compressor Design: Range versus Efficiency 215By James M. Sorokes Introduction 215 Critical Parameters/Nomenclature 216 Operating Requirements 223 Critical Components 225 Impellers 225 Inlet Guides 232 Diffusers 235 Return Channels 238 Other Components 240 Aerodynamic Matching 243 Stage Components 243 Stage to Stage 245 Operating Conditions 246 Movable Geometry – Optimizing Range and Efficiency 248 Concluding Remarks 251 Disclaimer 251 Acknowledgements 251 References 252 9 Understanding Reciprocating Compressor Rod Load Ratings 255By Robert X. Perez Introduction 255 Basic Theory 256 Gas Loads 256 Piston Rod Loads 260 Crosshead Pin Loads 261 Crankpin Loads 262 History of “Rod Loads” 262 Glossary of Terms 265 User’s Perspective 266 Performance Study to Evaluate Compressor Re-Rate 268 Combined Load Exceeds Gas Load 269 Distorted Pressure Measurements = Distorted Rod Loads 269 Conclusions 271 Reference 271 10 How Internal Gas Forces Affect the Reliability of Reciprocating Compressors 273By Robert Perez, Robert Akins and Bruce McCain Gas Loads 274 Non-Reversing Gas Loads 277 Non-Reversing Rod Conditions Matrix 279 Non-Reversing Gas Load Examples 281 “One Failure from Disaster” 283 Ways to Protect Your Compressor 285 Closing Remarks 285 Robert Akins 286 Acknowledgements 286 Part 3: Pumps 287 11 Should You Use a Centrifugal Pump? 289By Robert X. Perez Net Positive Suction Head - NPSH 296 Ways to Increase the Margin Between the NPSHa and the NPSHr 302 Summary 306 12 Practical Ways to Monitor Centrifugal Pump Performance 307By Robert X. Perez Why Use Centrifugal Pumps? 307 Head Versus Pressure 309 Centrifugal Pump Performance 311 Assessing Centrifugal Pump Performance 313 Summary 317 Addendum 319 Determining the Best Two-Parameter Analysis Method for a Centrifugal Pump 319 13 Using Electric Motor Horsepower to Protect Centrifugal Pumps Operating in Parallel Flow Applications: A Case Study 325By Robert X. Perez and Glenn Everett The Problem 325 Solution 327 Results 331 Conclusions 332 Addendum 332 A Simplified Method of Determining the Efficiency of a Motor-Driven Centrifugal Pump 332 The Traditional Analysis Method 333 A Simplified Alternative Assessment Method 334 Example 335 14 Mechanical Seals and Flush Plans 337By Robert X. Perez Recommendations for Optimizing the Service Lives of Mechanical Seals 337 Liquid Properties 339 Expected Seal Cavity Pressure 340 Sealing Temperature 340 Liquid Characteristics 340 Reliability and Emission Concerns 340 Single or Double Seal? 341 Seal Flush Plans 342 Parting Advice 350 About the Editor 351 About the Contributors 353 Index 357

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Book SynopsisThis important and unique book comprises 12 chapters divided into three parts examining the fundamental aspects, bioadhesive formulations, and drug delivery applications. Understanding the phenomenon of bioadhesion i.e. its theories or mechanism(s) are of critical importance in developing optimum bioadhesive polymers (used in bioadhesives). Such bioadhesive polymers are the key for exhibiting the process of bioadhesion, controlled/sustained release of drugs, and drug targeting. The use of bioadhesives restricts the delivery system to the site of interest and thus offers a useful and efficient technique for targeting a drug to the desired location for a prolonged duration. This book addresses the various relevant aspects of bioadhesives in drug delivery in an easily accessible and unified manner. The book containing 12 chapters written by eminent researchers from many parts of the globe is divided into three parts: Part 1: Fundamental Aspects; Part 2: Bioadhesive Formulations; ParTable of ContentsPreface xvii Part 1: Fundamental Aspects 1 1 Introduction, Theories and Mechanisms of Bioadhesion 3Kamla Pathak and Rishabha Malviya 1.1 Introduction 4 1.1.1 Historical Perspective 4 1.1.2 Bioadhesion in Biological Systems 5 1.1.3 Bioadhesive/Mucoadhesive 6 1.1.4 Factors Affecting Mucoadhesion 6 1.1.4.1 Molecular Weight of Polymer 6 1.1.4.2 Concentration of Polymer Used 7 1.1.4.3 Flexibility of Polymer Chains 7 1.1.4.4 Swelling 7 1.1.4.5 pH at Polymer-Mucus Interface 7 1.1.4.6 Mucin Turnover Rate 7 1.1.4.7 Stereochemistry 7 1.2 Bioadhesive Interactions 8 1.3 The Mechanistic Approach to Bioadhesion 9 1.4 Factors Controlling Bioadhesion 10 1.4.1 Chemical Interactions 10 1.4.1.1 Mussel Adhesion 10 1.4.1.2 Cell Adhesion to Biomaterials 11 1.4.2 Surface Morphology Effects 11 1.4.3 Physiological Factors 12 1.4.4 Physical and Mechanical Factors 12 1.4.4.1 Wetting Phenomenon 12 1.4.4.2 Interpenetration 12 1.5 Theories of Bioadhesion 13 1.5.1 Wetting Theory 13 1.5.2 Diffusion Theory 15 1.5.3 Electronic Theory 16 1.5.4 Adsorption Theory 16 1.5.5 Fracture Theory 16 1.6 Stages of Mucoadhesion 17 1.7 Modulation of Mucoadhesion 18 1.8 Adhesion Promoters 19 1.9 Surface Free Energy Analysis of Bioadhesion 19 1.10 Molecular Biology in Bioadhesion 20 1.11 Bioadhesives from Marine Sources 21 1.12 Mucoadhesive Drug Delivery Systems 22 1.13 Summary 23 References 23 2 Bioadhesive Polymers for Drug Delivery Applications 29Kenneth Chinedu Ugoeze 2.1 Introduction 30 2.1.1 Drug Delivery 30 2.2 Bioadhesive/Mucoadhesive Drug Delivery Systems 31 2.2.1 Some Advantages of Bioadhesive/Mucoadhesive Drug Delivery Systems 32 2.2.2 The General Need for Bioadhesive/Mucoadhesive Drug Delivery Systems 33 2.3 Mechanism of Bioadhesion 33 2.4 Requirements for an Ideal Bioadhesive/Mucoadhesive Polymer 34 2.5 Factors Affecting Bioadhesion/Mucoadhesion 35 2.5.1 Polymer Related Factors 35 2.5.1.1 Molecular Weight 36 2.5.1.2 Chain Length 36 2.5.1.3 Flexibility 36 2.5.1.4 Cross-Linking 36 2.5.1.5 Presence of Functional Groups 37 2.5.1.6 Concentration of Active Polymer 37 2.5.2 Environmental Factors 37 2.5.2.1 pH and Charge on the Polymer 38 2.5.2.2 Degree of Hydration 38 2.5.2.3 Initial Contact Time 38 2.5.2.4 Applied Pressure 38 2.5.2.5 Swelling 39 2.5.2.6 Ionic Strength 39 2.5.2.7 Mucus Gel Viscosity 39 2.5.3 Physiological Factors 39 2.5.3.1 Mucin Turnover 39 2.5.3.2 Disease States 39 2.6 Bioadhesive Polymers for Drug Delivery Applications 40 2.6.1 Polymers 40 2.6.1.1 Natural Polymers 40 2.6.1.2 Synthetic Polymers 40 2.6.2 Bioadhesive/Mucoadhesive Polymers 40 2.6.3 Classification of Mucoadhesive Polymers 41 2.6.3.1 Classification Based on the Origin of the Polymer 41 2.6.3.2 Classification Based on Aqueous Solubility of the Polymer 41 2.6.3.3 Classification Based on the Type of Charge on the Polymer 42 2.6.4 Natural Polymers 42 2.6.4.1 Chitosan 42 2.6.4.2 Starch 43 2.6.4.3 Gelatin 44 2.6.4.4 Alginates 44 2.6.4.5 Hyaluronic Acid 45 2.6.5 Synthetic Polymers 45 2.6.5.1 Cellulose Derivatives 45 2.6.5.2 Polyacrylates 46 2.6.5.3 Poly (ethylene glycol) (PEG) 46 2.6.6 Classification Based on Aqueous Solubility of the Polymer 46 2.6.6.1 Water-Soluble Polymers 46 2.6.6.2 Water-Insoluble Polymers 46 2.6.7 Classification Based on the Type of Charge on the Polymer 47 2.6.7.1 Cationic Polymers 47 2.6.7.2 Anionic Polymers 47 2.6.7.3 Non-Ionic Polymers 47 2.7 Prospects of Bioadhesive/Mucoadhesive Polymers in Bioadhesive Drug Delivery 47 2.8 Summary 48 Acknowledgements 49 References 49 3 In Vitro, Ex Vivo and In Vivo Methods for Characterization of Bioadhesiveness of Drug Delivery Systems 57Ljiljana Djekic and Martina Martinovic 3.1 Introduction 58 3.2 Mechanisms of Bioadhesion 59 3.3 Bioadhesive Drug Delivery Systems (BDDS) 62 3.3.1 BDDS for Cutaneous Application 62 3.3.2 BDDS for Buccal Application 63 3.3.3 BDDS for Peroral Application 64 3.3.4 BDDS for Vaginal Application 65 3.3.5 BDDS for Nasal Application 66 3.3.6 BDDS for Ocular Application 67 3.4 Methods for Testing Bioadhesive Property of BDDS 68 3.4.1 In Vitro/Ex Vivo Tests 68 3.4.1.1 Bioadhesion Strength Tests 68 3.4.1.2 In Vitro Methods for Characterization of Bioadhesion at the Molecular Level 81 3.4.2 In Vivo Methods 85 3.4.2.1 Radiolabelled BDDS Transit Studies 86 3.4.2.2 Gamma Scintigraphy 87 3.4.2.3 In Vivo Detachment Tests 87 3.5 Summary 89 References 90 Part 2: Bioadhesive Formulations 99 4 Bioadhesive Films for Drug Delivery Systems 101Kampanart Huanbutta and Tanikan Sangnim 4.1 Introduction 101 4.2 Theories of Bioadhesion 102 4.3 Bioadhesive Film-Forming Agents 103 4.4 Drug Delivery Applications of Bioadhesive Films 105 4.4.1 Topical and Transdermal Drug Delivery 105 4.4.1.1 Patches 105 4.4.1.2 Film-Forming Systems 106 4.4.2 Mucosal Drug Delivery 106 4.4.2.1 Buccal Drug Delivery 106 4.4.2.2 Vaginal Drug Delivery 107 4.4.2.3 Rectal Drug Delivery 107 4.4.2.4 Ocular Drug Delivery 108 4.4.2.5 Nasal Drug Delivery 109 4.4.3 Oral Drug Delivery 109 4.4.3.1 Orodispersible Films (ODFs) 109 4.4.3.2 Sublingual Films 110 4.4.3.3 Oral Colon-Specific Drug Delivery 110 4.5 Current and Novel Bioadhesive Film Fabrication Techniques 111 4.5.1 Solvent Casting 111 4.5.2 Extrusion 111 4.5.3 Rolling 111 4.5.4 2D Printing 112 4.6 Evaluation of Bioadhesive Films 113 4.6.1 Bioadhesive Strength 113 4.6.2 Tensile Strength Measurement 114 4.6.3 Morphology and Thickness 114 4.6.4 Moisture Content 114 4.6.5 Permeation 115 4.6.6 Swelling 116 4.6.7 Irritation 116 4.6.8 Stability 116 4.6.9 Drug Loading and Drug Entrapment Efficiency 117 4.7 Summary 117 4.8 Acknowledgements 118 References 118 5 Redox-Responsive Disulphide Bioadhesive Polymeric Nanoparticles for Colon-Targeted Drug Delivery 123Erazuliana Abd Kadir and Vuanghao Lim 5.1 Introduction 123 5.2 Mechanism of Disulphide Bond Formation 124 5.3 Disulphide Polymers for Colon Drug Delivery 125 5.4 Colon-Targeted Drug Delivery (CTDD) 126 5.4.1 Condition of the Colon for Drug Delivery 127 5.4.2 Approaches for Colon Drug Delivery 128 5.4.3 Limitations of CTDD 129 5.5 Nanoformulations of Disulphide Polymers 130 5.5.1 Thiolated Pectin Polymers 130 5.5.2 Thiolated Sodium Alginate (TSA) Polymers 131 5.5.3 Thiolated Chitosan (TCS) Polymers 134 5.5.4 Thiolated Hyaluronic Acid Polymers 136 5.5.5 Thiolated Dextran Polymers 137 5.5.6 Other Thiolated Polymers 138 5.6 Summary 140 Acknowledgements 140 References 140 6 Bioadhesive Hydrogels and Their Applications 147Hitesh Chopra, Sandeep Kumar and Inderbir Singh 6.1 Introduction 147 6.1.1 Bioadhesive Polymer 148 6.1.2 Hydrogels 150 6.1.3 Bioadhesive Hydrogels 155 6.2 Bioadhesive Hydrogel Films 155 6.3 Bioadhesive Hydrogels for Gastrointestinal Delivery 156 6.4 Bioadhesive Hydrogels Administered through Injection 156 6.5 Bioadhesive Hydrogels for Vaginal Delivery 159 6.6 Bioadhesive Hydrogels for Rectal Delivery 160 6.7 Mucoadhesive Hydrogels Based Nanoparticles 161 6.8 Patents and Future Perspectives 161 6.9 Summary 164 References 164 Part 3: Drug Delivery Applications 171 7 Ocular Bioadhesive Drug Delivery Systems and Their Applications 173Anju Sharma, Mukesh S. Patil, Pravin Pawar, A.A. Shirkhedkar and Inderbir Singh 7.1 Introduction 174 7.2 Anatomy and Physiology of the Eye 175 7.2.1 Anatomy and Function of the Eye 175 7.2.2 Structure of Cornea 176 7.3 Various Bioadhesive/Mucoadhesive Polymers for Ocular Delivery 176 7.3.1 Chitosan as Ocular Bioadhesive 177 7.3.2 Starch (Drum-Dried Waxy Maize Starch, Pregelatinized Starch) 180 7.3.3 Sodium Hyaluronate (SH) as Ocular Bioadhesive 181 7.3.3.1 Functions of Sodium Hyaluronate 181 7.3.3.2 Viscoelasticity 182 7.3.3.3 Contact Angle 182 7.3.3.4 Adherence to the Mucin Layer (Mucoadhesivity) 183 7.3.3.5 Water Retention 184 7.3.3.6 Healing of Superficial Keratitis 184 7.3.3.7 Free Radical Scavenging 184 7.3.4 Alginate Based Ocular Bioadhesive 184 7.3.4.1 General Properties of ALGs 185 7.3.5 Gellan Gum as Ocular Bioadhesive 188 7.3.6 Albumin 189 7.3.7 Collagen Based Ocular Bioadhesive 190 7.3.8 Xanthan Gum 192 7.3.9 Guar Gum 193 7.3.10 Gelatin 193 7.3.11 Tamarind Seed Polysaccharide (Xyloglucan) 195 7.3.12 Arabinogalactan 196 7.3.13 Gum Cordia 197 7.3.14 Bletilla Striata Polysaccharide (BSP) 197 7.3.15 Locust Bean Gum (Carob Bean Gum) 198 7.3.16 Carrageenan 198 7.4 Summary 199 References 200 8 Buccal Bioadhesive Drug Delivery Systems and Their Applications 213Veera Garg and Shammy Jindal 8.1 Introduction 213 8.1.1 Advantages of a Buccal Bioadhesive System 218 8.1.2 Disadvantages of a Buccal Bioadhesive System 218 8.1.3 Ideal Characteristics of a Bioadhesive Dosage Form 219 8.1.4 Structure of Buccal Mucosa 219 8.2 Theories of Bioadhesion 220 8.2.1 Diffusion Theory 221 8.2.2 Adsorption Theory 222 8.2.3 Wetting Theory 222 8.2.4 Electronic Theory 222 8.2.5 Fracture Theory 223 8.3 Factors Affecting Bioadhesion 223 8.3.1 Bioadhesive Polymer Related Factors 224 8.3.1.1 Molecular Weight of Mucoadhesive Polymer 224 8.3.1.2 Cross-Linking of Mucoadhesive Polymer 224 8.3.1.3 Concentration of Mucoadhesive Polymer 224 8.3.1.4 Mucoadhesive Polymer Chain Length 224 8.3.1.5 Flexibility of Mucoadhesive Polymer Chain 225 8.3.1.6 Charge on Mucoadhesive Polymer 225 8.3.1.7 H-Bonding of Mucoadhesive Polymer 225 8.3.1.8 Spatial Configuration of Mucoadhesive Polymer 225 8.3.1.9 Swelling of Mucoadhesive Polymer 225 8.3.2 Environment Related Factors 226 8.3.2.1 pH 226 8.3.2.2 Saliva 226 8.3.2.3 Salivary Gland 226 8.3.2.4 Hydration 226 8.3.2.5 Mucin Turnover 227 8.3.2.6 Rate of Renewal of Mucoadhesive Cells 227 8.3.2.7 Disease State 227 8.3.2.8 Buccal Membrane Properties 227 8.4 Mechanism of Buccal Absorption 227 8.5 Buccal Bioadhesive Drug Delivery Systems 229 8.5.1 Solid Buccal Bioadhesive Dosage Forms 229 8.5.1.1 Buccal Tablets 229 8.5.1.2 Microspheres 230 8.5.1.3 Lozenges 230 8.5.1.4 Wafers 230 8.5.1.5 Gels 230 8.5.1.6 Patches 230 8.5.2 Liquid Dosage Forms 231 8.6 Quality Control Tests of Buccal Bioadhesive Dosage Forms 231 8.6.1 Moisture Absorption Test 231 8.6.2 Swelling and Erosion Tests 232 8.6.3 Tensile Strength and Elongation at Break 232 8.6.4 Surface pH 233 8.6.5 In-Vitro Bioadhesive Strength Measurement Test 233 8.6.6 Residence Time 234 8.6.6.1 Ex-Vivo Residence Time 234 8.6.6.2 In-Vivo Residence Time 234 8.6.6.3 Permeation Test 234 8.6.6.4 Absorption Test 236 8.7 Marketed Formulations 236 8.8 Summary 236 References 237 9 Gastrointestinal Bioadhesive Drug Delivery Systems nd Their Applications 245Olufunke D. Akin-Ajani and Oluwatoyin A. Odeku Abbreviations 245 9.1 Introduction 246 9.2 The Mucus Layer 247 9.3 Gastrointestinal Bioadhesive Drug Delivery Systems 247 9.3.1 Solid Bioadhesive Formulations 248 9.3.1.1 Tablets 248 9.3.1.2 Bioadhesive Microparticles/Nanoparticles 249 9.3.1.3 Bioadhesive Patches 251 9.3.2 Semisolid Bioadhesive Formulations 254 9.3.3 Liquid Bioadhesive Formulations 254 9.3.3.1 Suspensions 254 9.3.3.2 Bioadhesive Liquids 255 9.4 Summary 255 References 255 10 Nasal Bioadhesive Drug Delivery Systems and Their Applications 259Ravindra V. Badhe and Sonali S. Nipate 10.1 Introduction 260 10.1.1 Nasal Route of Administration 260 10.1.2 Nasal Cavity 261 10.1.3 Nasal Route for Brain Drug Delivery 263 10.1.4 Nasal Route for Local and Systemic Drug Delivery 263 10.2 Challenges in Nasal Drug Delivery Formulations 267 10.2.1 Ideal Properties of a Nasal Drug Delivery Formulation 267 10.2.2 Strategies Developed for Improving Nasal Drug Delivery 268 10.3 Mucoadhesion 270 10.3.1 Physiology of Nasal Mucus Layer and Barriers Posed by It 270 10.3.2 Factors Affecting Mucoadhesion 271 10.3.3 Mucoadhesive Polymers Used in Nasal Delivery Formulations 275 10.3.3.1 Chitosan and Its Composites 275 10.3.3.2 Cellulose Derivatives 277 10.3.3.3 Poloxamer or Pluronic 284 10.3.3.4 Polyacrylates 285 10.3.3.5 Lectin - Poly(ethylene glycol)(PEG) - Poly(lactic acid)(PLA)/Poly(lacticco-glycolic acid)(PLGA) 286 10.3.3.6 Miscellaneous Mucoadhesive Agents 287 10.4 Summary 289 References 290 11 Vaginal Bioadhesive Drug Delivery Systems and Their Applications 307Sanjeevani S. Deshkar, Satish V. Shirolkar and Arun T. Patil 11.1 Introduction 308 11.1.1 Advantages of Vaginal Drug Delivery 308 11.1.2 Limitations 309 11.2 Vaginal Anatomy and Physiology 309 11.2.1 Vaginal Anatomy 309 11.2.2 Physiology of Vagina 310 11.2.2.1 Epithelium 310 11.2.2.2 Vaginal Fluid 311 11.2.2.3 pH 311 11.2.2.4 Microflora 312 11.2.2.5 Cyclic Changes 312 11.2.2.6 Enzymes 312 11.3 Vaginal Absorption of Drug 313 11.3.1 Drugs Administered by Vaginal Route 313 11.4 Conventional Drug Delivery Systems for Vaginal Application 314 11.4.1 Vaginal Rings 314 11.4.2 Vaginal Tablets 315 11.4.3 Suppositories and Pessaries 315 11.4.4 Semisolid Formulations 316 11.4.5 Limitations of Conventional Vaginal Formulations 316 11.5 Mucoadhesive Drug Delivery Systems 317 11.5.1 Mucoadhesive Polymeric Platforms for Vaginal Drug Delivery 318 11.5.1.1 Poly (acrylic acid) (PAA) Derivatives 318 11.5.1.2 Cellulose Derivatives 319 11.5.1.3 Natural Polymers 321 11.5.1.4 New Generation Mucoadhesive Polymers 324 11.5.2 Mucaodhesive Polymers as Enzyme Inhibitors and Permeation Enhancers 325 11.5.3 Novel Mucoadhesive Formulations for Drug Delivery to Vagina 326 11.5.3.1 Mucoadhesive Gels 326 11.5.3.2 In Situ Gelling Systems 327 11.5.3.3 Emulgels 337 11.5.3.4 Vaginal Films 337 11.5.3.5 Microparticulate Drug Delivery Systems 338 11.5.3.6 Nanoparticle Based Drug Delivery Systems 338 11.6 Recent Advancements in Vaginal Drug Delivery Applications 350 11.6.1 Vaginal Immunization 350 11.6.2 Gene Therapy 350 11.6.3 Mucus Penetrating Nanoparticles 351 11.6.4 Personalized Medicine Using Additive Manufacturing Technology 351 11.7 Summary 352 References 352 12 Pulmonary Bioadhesive Drug Delivery Systems and Their Applications 371Ridhima Wadhwa, Subhashini Bharathala, Taru Aggarwal, Nikita Sehgal, Nitesh Kumar, Gaurav Gupta, Dinesh Kumar Chellappan, Pawan Kumar Maurya, Terezinha De Jesus Andreoli Pinto, Trudi Collet, Harish Dureja, Philip M. Hansbro and Kamal Dua 12.1 Introduction to Pulmonary Drug Delivery Systems 372 12.1.1 Deposition of Inhaled Particles 373 12.1.2 Absorption of Inhaled Particles 374 12.1.3 Challenges of Pulmonary Drug Delivery 375 12.2 Bioadhesives in Pulmonary Drug Delivery Systems 376 12.3 Development of Pulmonary Bioadhesive Drug Delivery Systems 378 12.3.1 Nanoparticles 378 12.3.2 Microparticles 381 12.3.3 Liposomes 383 12.4 Progress and Clinical Challenges for Bioadhesive Drug Delivery with Future Prospects 384 12.4.1 Technological Advancements 384 12.5 Future Prospects and Summary 385 References 386 Index 391

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Book SynopsisThis unique book presents ways to mitigate the disastrous effects of snow/ice accumulation and discusses the mechanisms of new coatings deicing technologies. The strategies currently used to combat ice accumulation problems involve chemical, mechanical or electrical approaches. These are expensive and labor intensive, and the use of chemicals raises serious environmental concerns. The availability of truly icephobic surfaces or coatings will be a big boon in preventing the devastating effects of ice accumulation. Currently, there is tremendous interest in harnessing nanotechnology in rendering surfaces icephobic or in devising icephobic surface materials and coatings, and all signals indicate that such interest will continue unabated in the future. As the key issue regarding icephobic materials or coatings is their durability, much effort is being spent in developing surface materials or coatings which can be effective over a long period. With the tremendous activity iTable of ContentsPreface xv Part 1: Fundamentals of Ice Formation and Characterization 1 1 Factors Influencing the Formation, Adhesion, and Friction of Ice 3Michael J. Wood and Anne-Marie Kietzig 1.1 A Brief History of Man and Ice 4 1.1.1 Ice on Earth 4 1.1.2 Man is Carved of Ice 5 1.1.3 Modern Man Carves Ice 8 1.2 A Thermodynamically Designed Anti-Icing Surface 13 1.2.1 Homogeneous Classical Nucleation Theory 14 1.2.2 Heterogeneous Classical Nucleation Theory 16 1.2.3 Predicting Delays in Ice Nucleation 20 1.2.4 Predicting Ice Nucleation Temperatures 22 1.3 The Adhesion of Ice to Surfaces 25 1.3.1 Wetting and Icing of Ideal Surfaces 26 1.3.2 Wetting of Real Surfaces 30 1.3.3 Ice Adhesion to Real Surfaces 32 1.4 The Sliding Friction of Ice 38 1.4.1 Ice Friction Regimes 39 1.4.2 The Origin of Ice’s Liquid-Like Layer 42 1.4.3 Parameters Affecting The Friction Coefficient of Ice 43 1. 5 Summary 45 References 46 2 Water and Ice Nucleation on Solid Surfaces 55Youmin Hou, Hans-Jürgen Butt and Michael Kappl 2.1 Introduction 55 2.2 Classical Nucleation Theory 57 2.2.1 Homogeneous Nucleation Rate 59 2.2.1.1 Homogeneous Nucleation of Water Droplets and Ice from Vapor 60 2.2.1.2 Homogeneous Ice Nucleation in Supercooled Water 61 2.2.2 Heterogeneous Nucleation Rate 63 2.2.2.1 Heterogeneous Water Nucleation on Solid Surfaces 63 2.2.3 Spatial Control of Water Nucleation on Nanoengineered Surfaces 68 2.2.4 Heterogeneous Ice Nucleation in Supercooled Water 71 2.3 Prospects 76 2.4 Summary 78 Acknowledgement 79 References 79 3 Physics of Ice Nucleation and Growth on a Surface 87Alireza Hakimian, Sina Nazifi and Hadi Ghasemi 3.1 Ice Nucleation 88 3.2 Ice Growth 94 3.2.1 Scenario I: Droplet in an Environment without Airflow 95 3.2.2 Scenario II: Droplet in an Environment with External Airflow 99 3.3 Ice Bridging Phenomenon 105 3.4 Summary 108 References 109 4 Condensation Frosting 111S. Farzad Ahmadi and Jonathan B. Boreyko 4.1 Introduction 111 4.2 Why Supercooled Condensation? 114 4.3 Inter-Droplet Freeze Fronts 117 4.4 Dry Zones and Anti-Frosting Surfaces 124 4.5 Summary and Future Directions 129 References 131 5 The Role of Droplet Dynamics in Condensation Frosting 135Amy Rachel Betz 5.1 Introduction 135 5.2 Nucleation 137 5.3 Growth 138 5.4 Coalescence and Sweeping 139 5.5 Regeneration or Re-Nucleation 146 5.6 Inception of Freezing 147 5.7 Freezing Front Propagation 149 5.8 Ice Bridging 150 5.9 Frost Growth and Densification 153 5.10 Concluding Discussion 155 Acknowledgments 156 References 156 6 Defrosting Properties of Structured Surfaces 161S. Farzad Ahmadi and Jonathan B. Boreyko 6.1 Introduction: Defrosting on Smooth Surfaces 162 6.2 Defrosting Heat Exchangers 167 6.3 Dynamic Defrosting on Micro-Grooved Surfaces 170 6.4 Dynamic Defrosting on Liquid-Impregnated Surfaces 172 6.5 Dynamic Defrosting on Nanostructured Superhydrophobic Surfaces 176 6.6 Summary and Future Directions 179 References 181 Part 2: Ice Adhesion and Its Measurement 187 7 On the Relationship between Surface Free Energy and Ice Adhesion of Flat Anti-Icing Surfaces 189Salih Ozbay and H. Yildirim Erbil 7.1 Introduction 190 7.2 Types of Ice Formation 193 7.2.1 Ice Formation from Supercooled Drops on a Surface 193 7.2.2 Frost Formation from the Existing Humidity in the Medium 194 7.3 Work of Adhesion, Wettability and Surface Free Energy 195 7.4 Factors Affecting Ice Adhesion Strength and Its Standardization 197 7.5 Effect of Water Contact Angle and Surface Free Energy Parameters on Ice Adhesion Strength 199 7.6 Summary 205 References 206 8 Metrology of Ice Adhesion 217Alireza Hakimian, Sina Nazifi and Hadi Ghasemi 8.1 Theory of Ice Adhesion to a Surface 218 8.2 Centrifugal Force Method 221 8.3 Peak Force Method 224 8.4 Tensile Force Method 230 8.5 Standard Procedure for Ice Adhesion Measurement 231 8.6 Summary 233 References 233 9 Tensile and Shear Test Methods for Quantifying the Ice Adhesion Strength to a Surface 237Alexandre Laroche, Maria Jose Grasso, Ali Dolatabadi and Elmar Bonaccurso Glossary 237 9.1 Introduction 239 9.2 About Ice, Impact Ice, and Ice Adhesion Tests 241 9.2.1 Relationship between Wettability and Ice Adhesion 241 9.2.2 A Simple Picture of Condition-Dependent Ice Growth 246 9.2.3 Factors Affecting Ice Adhesion Strength 248 9.3 Review of Ice Adhesion Test Methods 253 9.3.1 Shear Tests 257 9.3.1.1 Pusher and Lap Shear Tests 257 9.3.1.2 Spinning Test Rigs 263 9.3.1.3 Vibrating Cantilever Tests 269 9.3.2 Tensile Tests 274 9.4 Prospects 279 9.5 Summary 279 Acknowledgements 280 References 280 10 Comparison of Icephobic Materials through Interlaboratory Studies 285Sigrid Rønneberg, Caroline Laforte, Jianying He and Zhiliang Zhang 10.1 Introduction 286 10.2 Icephobicity and Anti-Icing Surfaces 288 10.3 Ice Formation and Properties 289 10.3.1 Definitions of Ice 290 10.3.2 The Effect of Ice Type on Ice Adhesion Strength 294 10.4 Testing Ice Adhesion 299 10.4.1 Description of Selected Common Ice Adhesion Tests 299 10.4.2 Adhesion Reduction Factor 303 10.4.3 Effect of Experimental Parameters 305 10.4.3.1 Temperature 305 10.4.3.2 Ice Sample Size 307 10.4.3.3 Force Probe Placement and Loading Rate 308 10.5 Comparing Low Ice Adhesion Surfaces with Interlaboratory Tests 310 10.5.1 The Need for Comparability 310 10.5.2 Interlaboratory Test Procedure 311 10.5.3 Interlaboratory Test Results 314 10.5.4 Properties of a Future Standard and Reference 317 10.6 Concluding Remarks 319 References 320 Part 3: Methods to Mitigate Ice Adhesion 325 11 Mechanisms of Surface Icing and Deicing Technologies 327Ilker S. Bayer 11.1 A Brief Description of Icing and Ice Adhesion 328 11.2 Examples of Mathematical Modeling of Icing on Various Static or Moving Surfaces 331 11.3 New Applications of Common Deicing Compounds 334 11.4 Plasma-Based Deicing Systems 336 11.5 Functional Super (Hydrophilic) or Wettable Polymeric Coatings to Resist Icing 340 11.6 Nanoscale Carbon Coatings with/without Resistive Heating 345 11.7 Antifreeze Proteins 349 11.8 Summary and Perspectives 354 References 355 12 Icephobicities of Superhydrophobic Surfaces 361Dong Song, Youhua Jiang, Mohammad Amin Sarshar and Chang-Hwan Choi 12.1 Introduction 362 12.2 Anti-Icing Property of Superhydrophobic Surfaces under Dynamic Flow Conditions 369 12.2.1 Preparation of Superhydrophobic Surfaces 369 12.2.2 Anti-Icing Test under Dynamic Flow Conditions 369 12.2.3 Results and Discussion 372 12.3 Analytical Models of Depinning Force on Superhydrophobic Surfaces 374 12.4 Analytical Models of Contact Angles on Superhydrophobic Surfaces 378 12.5 De-Icing Property of Superhydrophobic Surfaces under Static Conditions 381 12.5.1 De-Icing Test under Static Conditions 381 12.5.2 Results and Discussion 382 12.6 Conclusions 384 Acknowledgments 384 References 384 13 Ice Adhesion and Anti-Icing Using Microtextured Surfaces 389Mool C. Gupta and Alan Mulroney 13.1 Introduction 389 13.1.1 Background 389 13.1.2 State-of-the-Art 392 13.2 Microtextured Surfaces: Wetting Characteristics and Anti-Icing Properties 393 13.2.1 Wetting on Microtextured Surfaces 393 13.2.2 Wetting and Icephobic Surfaces 396 13.2.3 Ice Adhesion to Microtextured Surfaces 398 13.3 Measurement Methods for Ice Adhesion 398 13.3.1 Force Measurement Techniques 399 13.3.2 Contact Area Measurements 400 13.3.3 Measurement Variance and Error 401 13.4 Fabrication Methods for Microtextured Surfaces 402 13.4.1 Micro/Nanoparticle Coatings 402 13.4.2 Chemical Etching 403 13.4.3 Laser Ablation Techniques 404 13.4.4 Embossing Techniques 406 13.5 Microtextured Surfaces and Anti-Icing Applications 407 13.5.1 Solar 408 13.5.2 Wind 409 13.5.3 Aircraft 410 13.5.4 HVAC 410 13.6 Future Outlook 411 Acknowledgments 411 References 412 14 Icephobic Surfaces: Features and Challenges 417Michael Grizen and Manish K. Tiwari 14.1 Introduction 418 14.2 Features and Challenges in Rational Fabrication of Icephobic Surfaces 418 14.3 Wettability 420 14.4 Surface Engineering 422 14.4.1 Repelling Impacting Droplets 422 14.4.1.1 Drop Impact Characterization 422 14.4.1.2 Enhancing Surface Resistance against Drop Impact 425 14.4.1.3 Additional Factors Affecting Supercooled Droplet Impacts 431 14.4.2 Freezing Delay 432 14.4.2.1 Delaying Freezing of a Droplet 432 14.4.2.2 Delaying Frost Formation 437 14.4.3 Ice Adhesion 443 14.4.3.1 Theory 443 14.4.3.2 Strategies to Lower Ice Adhesion Strength 447 14.5 De-Icing 454 14.5.1 Electro- and Photo-Thermal 455 14.5.2 Magneto- and Photo-Thermal 456 14.6 Summary 457 References 458 15 Bio-Inspired Anti-Icing Surface Materials 467Shuwang Wu, Yichen Yan, Dong Wu, Zhiyuan He and Ximin He Glossary of Symbols 468 Glossary of Abbreviations 468 15.1 Introduction 469 15.2 Depressing Ice Nucleation 471 15.3 Retarding Ice Propagation 474 15.4 Reducing Ice Adhesion 479 15.5 All-in-One Anti-Icing Materials 482 15.6 Summary and Conclusions 485 References 486 16 Testing the Durability of Anti-Icing Coatings 495Sergei A. Kulinich, Denis Masson, Xi-Wen Du and Alexandre M. Emelyanenko 16.1 Introduction 496 16.2 Icing/Deicing Tests and Ice Types 497 16.2.1 Evaluating the Durability of Surfaces 498 16.2.2 Rough Superhydrophobic Surfaces and their Durability 506 16.2.3 Smooth Hydrophobic Surfaces and their Durability 511 16.3 Concluding Remarks 513 References 514 17 Durability Assessment of Icephobic Coatings 521Alireza Hakimian, Sina Nazifi and Hadi Ghasemi 17.1 Introduction 522 17.2 UV-Induced Degradation 523 17.2.1 Autocatalytic Photo-Induced Degradation Mechanism 523 17.2.2 Factors Affecting UV Resistance 524 17.2.3 UV-Induced Photo-Oxidation Prevention 525 17.3 Hydrolytic Degradation of Coatings 527 17.4 Atmospheric Conditions and Changes in Coating Performance 529 17.5 Mechanical Durability of Coating 532 17.5.1 Cracking 533 17.5.2 Erosion of Coatings 535 17.5.3 Abrasion 536 17.6 Methods for Durability Assessment of an Icephobic Coating 539 17.7 Summary 542 References 543 18 Experimental Investigations on Bio-Inspired Icephobic Coatings for Aircraft Inflight Icing Mitigation 547Yang Liu and Hui Hu 18.1 Introduction About Aircraft Icing Phenomena 548 18.2 Impact Icing Pertinent to Aircraft Icing vs. Conventional Frosting or Static Icing 551 18.3 State-of-the-Art Bio-Inspired Icephobic Coatings 553 18.3.1 Superhydrophobic Surfaces with Micro-/Nano-Scale Textures 555 18.3.2 Slippery Liquid-Infused Porous Surfaces 557 18.3.3 Icephobic Soft Materials with Ultra-Low Ice Adhesion Strength and Good Mechanical Durability 558 18.4 Comparison of Ice Adhesion Strengths of Different Bio-Inspired Icephobic Coatings 560 18.5 Durability of the Bio-Inspired Icephobic Coatings under High-Speed Droplet Impacting 562 18.6 Icing Tunnel Testing to Evaluate the Effectiveness of the Icephobic Coatings for Impact Icing Mitigation 566 18.7 Summary 569 Acknowledgments 571 References 571 19 Effect of and Protection from Ice Accretion on Aircraft 577Zhenlong Wu and Qiang Wang Glossary 577 19.1 Introduction 578 19.2 Fundamental Icing Parameters 579 19.2.1 Droplet Diameter 579 19.2.2 Liquid Water Content 580 19.2.3 Ambient Icing Temperature 581 19.3 Types of Ice on Aircraft 581 19.3.1 Rime Ice 581 19.3.2 Glaze Ice 582 19.3.3 Mixed Ice 583 19.4 Aircraft Icing Effects 584 19.4.1 Iced Aerodynamics 584 19.4.1.1 Drag Rise 584 19.4.1.2 Lift Reduction 586 19.4.1.3 Moment Variation 589 19.4.1.4 Separation Bubble Formation 590 19.4.1.5 Boundary Layer Thickening 592 19.4.2 Iced Flight Mechanics 594 19.4.2.1 Flight Performance Disruption 594 19.4.2.2 Stability and Control Degradation 596 19.5 Sensing of and Protection from Aircraft Icing 596 19.5.1 Sensing of Ice Accretion 596 19.5.2 De-Icing and Anti-Icing 598 19.5.3 Envelope Protection 599 19.5.4 Control Reconfiguration 601 19.6 Summary 603 Funding and Acknowledgement 603 References 603 20 Numerical Modeling and Its Application to Inflight Icing 607Kwanjung Yee 20.1 Introduction 608 20.2 Aircraft Icing 609 20.2.1 Icing Environment 609 20.2.1.1 Cloud Formation 609 20.2.1.2 Cloud Classification 609 20.2.1.3 Icing Cloud 613 20.2.1.4 Icing Envelope 615 20.2.2 Icing Mechanism 617 20.2.2.1 Fundamentals of Icing 617 20.2.2.2 Characterization of Ice Shape 620 20.2.2.3 Critical Issues in Icing Physics 621 20.3 Numerical Technique for Inflight Icing 625 20.3.1 Composition of the Inflight Icing Code 626 20.3.2 Flow Analysis Solver 628 20.3.2.1 Inviscid Flow Solver 628 20.3.2.2 Reynolds-Averaged Navier-Stokes (RANS) Equation 631 20.3.3 Droplet Trajectory Module 635 20.3.3.1 Lagrangian Approach 635 20.3.3.2 Eulerian Approach 637 20.3.4 Thermodynamic Module 639 20.3.4.1 Messinger Model 639 20.3.4.2 Extended Messinger Model (Stefan Equation) 641 20.3.4.3 Shallow Water Icing Model (SWIM) 642 20.3.5 Ice Growth Module 644 20.3.6 Application of the Numerical Simulation 645 20.3.6.1 2D Airfoil 646 20.3.6.2 3D DLR-F6 Configuration 647 20.3.6.3 Rotorcraft Fuselage 649 20.4 Numerical Simulation of Icing Protection System (IPS) 651 20.4.1 IPS 651 20.4.2 Simulation for IPS 653 20.4.3 Thermal IPS Simulation Analysis 655 20.4.3.1 Electro-Thermal IPS Simulation 655 20.4.3.2 Water Film Analysis 656 20.5 Numerical Issues in the Inflight Icing Code 658 20.5.1 Analysis of the Surface Roughness 658 20.5.2 Analysis of the Transition in the Boundary Layer Problem 659 20.5.3 Analysis of the Rotor Blade Icing Problem 660 20.5.4 Analysis of the Uncertainty Qualification (UQ) 661 20.6 Summary 662 References 663

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Book SynopsisThefirstvolume of the ultimate reference on the science and applications of aggregation-induced emission TheHandbook of Aggregation-Induced Emissionexplores foundational and advanced topics in aggregation-induced emission, as well as cutting-edge developments in the field,celebratingtwenty years of progress and achievement in this important and interdisciplinary field.The three volumes combine to offer readers a comprehensive and insightful interpretation accessible to both new and experiencedresearchersworking onaggregation-induced emission. In thisfirst volume of three, theeditorssurveythe subjectofaggregation-induced emissionwith afocus on the fundamentals of various branches of the discipline, such ascrystallization-induced emission,room temperature phosphorescence,aggregation-induced delayed fluorescence, and more.Thisbook coversthe new properties of materials endowed by molecular aggregates. It also includes: A thorough introduction totTable of ContentsList of Contributors xv Preface to Handbook of Aggregation-Induced Emission xxi Preface to Volume 1: Fundamentals xxiii 1 The Mechanistic Understanding of the Importance of Molecular Motions to Aggregation-induced Emission 1Junkai Liu and Ben Zhong Tang 1.1 Introduction 1 1.2 Restriction of Intramolecular Motion 2 1.2.1 Restriction of Intramolecular Rotation 3 1.2.2 Restriction of Intramolecular Vibration 4 1.2.3 Ultrafast Insights into Tetraphenylethylene Derivatives 6 1.2.4 Theoretical Insights into Restriction of Intramolecular Motion 8 1.3 Restricted Access to Conical Intersection 12 1.4 Restriction of Access to the Dark State 14 1.5 Suppression of Kasha’s Rule 15 1.6 Through Space Conjugation 17 1.6.1 Clusterization-Triggered Emission 18 1.6.2 Polymerization-induced Emission 19 1.6.3 Excited-state Through-space Conjugation 19 1.7 Perspective 21 References 23 2 Understanding the AIE Mechanism at the Molecular Level 27Xiaoyan Zheng and Qian Peng 2.1 Introduction 27 2.2 Theoretical Methods 28 2.2.1 Radiative and Nonradiative Rate Constants 28 2.2.2 Computational Details 29 2.3 Revealed AIE Mechanism 31 2.3.1 Rotating Vibrations of Intramolecular Aromatic Ring 31 2.3.2 Stretching Vibrations of Bonds 33 2.3.3 Bending Vibration of Bonds 34 2.3.4 Flipping Vibrations of Molecular Skeletons 35 2.3.5 Twisting Vibration of Molecular Skeletons 36 2.4 Visualize Calculated Parameters in Experiments 37 2.4.1 Stokes Shift vs Reorganization Energy 37 2.4.2 Resonance Raman Spectroscopy (RSS) vs Reorganization Energy 38 2.4.3 Isotope Effect vs DRE 40 2.4.4 Linear Relationship between Fluorescence Intensity and Amorphous Aggregate Size 42 2.4.5 Pressure-induced Enhanced Emission (PIEE) 44 2.5 Molecular Design Based on AIE Mechanism 45 2.6 Summary and Outlook 46 Acknowledgments 48 References 48 3 Aggregation-induced Emission from the Restriction of Double Bond Rotation at the Excited State 55Ming Hu and Yan-Song Zheng 3.1 Introduction 55 3.2 AIE Phenomena and Applications from RDBR Mechanism 58 3.2.1 Evolvement and Development of AIE Mechanisms 58 3.2.2 Investigation of RDBR AIE Mechanism by E/Z isomerization 64 3.2.3 Investigating of RDBR AIE Mechanism by Immobilization of TPE Propeller-like Conformation 69 3.2.4 Research of Theoretical Calculation on RDBR 78 3.2.5 Other AIEgens Involving RBDR Process 84 3.3 Conclusions 93 References 94 4 The Expansion of AIE Thought: From Single Molecule to Molecular Uniting 99Qiuyan Liao, Qianqian Li, and Zhen Li 4.1 Aggregation-Induced Emission 99 4.2 Photoluminescence Materials Based on Molecular Set 101 4.3 Mechanoluminescence Materials Based on Molecular Set 106 4.3.1 Mechanoluminescence Materials with Fluorescence Emission 106 4.3.2 Mechanoluminescence Materials with Mechanical Induced Dual-or Tri-color Emission 115 4.3.3 Quantitative Research of Mechanoluminescence Property 121 4.4 Mechanochromism Materials 122 4.4.1 Mechanochromism Materials Based on Polymorphs 122 4.4.2 Mechanochromism Materials Based on Excimer Emission 125 4.4.3 Other Kinds of Mechanochromism Materials 128 4.5 Room Temperature Phosphorescence Materials Based on Molecular Uniting 131 4.5.1 Room Temperature Phosphorescence Materials with Aromatics 131 4.5.2 Room Temperature Phosphorescence Materials with Simple or Nonaromatic Structure 140 4.5.3 Room Temperature Phosphorescence Materials with Multiple Emission 142 4.5.4 Photoinduced Room Temperature Phosphorescence Materials 144 4.6 Conclusion and Perspectives 147 References 147 5 Clusterization-Triggered Emission 153Haoke Zhang and Ben Zhong Tang 5.1 Introduction 153 5.2 Pure n-Electron Systems 156 5.3 Pure π-Electron Systems 160 5.4 (n, π)-Electrons Systems 164 5.5 Other Systems 166 5.6 Summary 167 References 168 6 Crystallization-induced Emission Enhancement 177Yong Qiang Dong, Yingying Liu, Mengyang Liu, Qian Wang, and Kang Wang 6.1 Introduction 177 6.2 Tetraphenylethylene Derivatives 178 6.3 CIEE Active Luminogens with Bulky Conjugation Core 183 6.3.1 Dibenzofulvene (DBF) Derivatives (Chart 6.2) 183 6.3.2 9-([1,1′-Biphenyl]-4-ylphenylmethylene)-9H-xanthene 185 6.3.3 Dicyanomethylenated Acridones 186 6.3.4 Bis(diarylmethylene)dihydroanthracene [31] 187 6.4 Other High-contrast CIEE Luminogens 190 6.4.1 4-Dimethylamino-2-Benzylidene Malonic Acid Dimethyl Ester 190 6.4.2 Diphenyl Maleimide Derivatives [33] 191 6.4.3 3,4-Bisthienylmaleic Anhydride [34] 192 6.4.4 Boron-containing CIEE Luminogens 193 6.5 Potential Applications 196 6.5.1 Volatile Organic Compounds (VOCs) Sensor 196 6.5.2 OLED 196 6.5.3 High-density Data Storage 197 6.5.4 Mechanochromic (MC) Luminescent Sensor 198 6.6 Summary and Perspective 198 References 198 7 Surface-fixation Induced Emission 203Yohei Ishida and Shinsuke Takagi 7.1 Introduction 203 7.2 What Happened to the Characteristics of Molecules on the Clay Mineral Nanosheets 205 7.3 Clay–Molecular Complexes 206 7.4 Absorption Spectra of Clay–Molecular Complexes 207 7.5 Emission Enhancement Phenomenon in Clay–Molecular Complexes: S-FIE 208 7.6 Mechanism of Surface-Fixation Induced Emission 211 7.7 Summary and Outlook 214 Acknowledgment 215 References 215 8 Aggregation-induced Delayed Fluorescence 221Yan Fu, Hao Chen, Zujin Zhao, and Ben Zhong Tang 8.1 Introduction 221 8.2 Novel Aggregation-induced Delayed Fluorescence Luminogens 222 8.3 Conclusion and Outlook 247 References 247 9 Homogeneous Systems to Induce Emission of AIEgens 251Kenta Kokado and Kazuki Sada 9.1 Introduction 251 9.2 Homogeneous Solution 252 9.2.1 Complexation with Anions 253 9.2.2 Complexation with Cations 254 9.2.3 Inclusion Complexes 256 9.2.4 Adhesion on Macromolecules 257 9.2.5 Steric Hindrance 258 9.2.6 Covalent Linkage 259 9.3 Liquid 260 9.4 Gels and Network Polymers 261 9.4.1 Chemically Crosslinked Gels 261 9.4.2 Physically Crosslinked Gels 262 9.5 Crystalline Materials 264 9.6 Outlook and Future Perspectives 266 References 266 10 Hetero-aggregation-induced Tunable Emission (HAITE) Through Cocrystal Strategy 273Yinjuan Huang and Qichun Zhang 10.1 Introduction 273 10.2 Interactions Within Organic Cocrystals 274 10.3 Preparation of Organic Cocrystals 275 10.4 Molecular Stacking Modes Within Organic Cocrystals 276 10.5 Characterization of Organic Cocrystals 277 10.6 HAITE Through Cocrystal Strategy 277 10.6.1 HAITE with Tunable Color and Enhanced Emission 278 10.6.1.1 Insignificant Changed Intensity but Tuned Color 278 10.6.1.2 Enhanced Emission and Tuned Color 287 10.6.2 HAITE with Increased PLQY but Intrinsic Color 291 10.6.3 HAITE: Thermally Activated Delayed Fluorescence 297 10.6.4 HAITE-phosphorescence 300 10.7 Summary and Outlook 302 References 304 11 Anti-Kasha Emission from Organic Aggregates 311Wenbin Huang and Zikai He 11.1 Introduction 311 11.2 Anti-Kasha Emission from Aromatic Carbonyl Compounds in Aggregates 312 11.3 Anti-Kasha Emission from Azulene Compounds in Aggregate 322 11.4 Anti-Kasha Emission from Other Unconventional Aromatic Compounds in Aggregates 324 11.5 Conclusions 327 References 327 12 Aggregation-enhanced Emission: From Flexible to Rigid Cores 333Harnimarta Deol, Gurpreet Singh, Vandana Bhalla, and Manoj Kumar 12.1 Introduction 333 12.2 Freely Moving Rotors-induced Emission Enhancement 334 12.3 Guest-induced Emission Enhancement 344 12.4 Conclusion 366 Acknowledgment 367 References 367 13 Room-temperature Phosphorescence of Pure Organics 371Tianwen Zhu, Zihao Zhao, Tianjia Yang, and Wang Zhang Yuan 13.1 Introduction 371 13.2 Fundamental Mechanism in Organic Phosphorescence 372 13.2.1 Photophysical Process for Phosphorescence 372 13.2.2 Theoretical Study on Phosphorescent Process 373 13.3 Recent Progress in Organic RTP Materials 375 13.3.1 Crystallization-induced RTP 375 13.3.1.1 Heavy Atom Effect 376 13.3.1.2 Molecular Interaction 380 13.3.1.3 H-aggregation 380 13.3.2 Doping in Rigid Matrix-induced RTP 382 13.3.2.1 Host–Guest System 385 13.3.2.2 Doping in Polymer Matrix 387 13.3.3 Clustering-triggered RTP 389 13.3.3.1 Natural Products 389 13.3.3.2 Synthetic Compounds 394 13.3.4 Other Systems 399 13.3.4.1 Amorphous Organics 399 13.3.4.2 Organic Framework 399 13.3.4.3 Supramolecular Organics 402 13.3.4.4 Hybrid Perovskites 403 13.3.5 Applications 405 13.4 Conclusions and Perspectives 405 References 407 14 A Global Potential Energy Surface Approach to the Photophysics of AIEgens: The Role of Conical Intersections 411Rachel Crespo-Otero and Lluís Blancafort 14.1 Introduction 411 14.2 Methodological Aspects 412 14.2.1 Intramolecular Restriction Models and the FGR-based Approach 412 14.2.2 A PES-based Description of Photochemical Mechanisms 412 14.2.3 Computational Approaches for Excited States 416 14.2.3.1 Electronic Structure Methods for Excited States 416 14.2.3.2 Dynamics Simulations in the Context of AIE 420 14.2.4 Methods for Large Systems 420 14.3 CI-centered Global PES for AIEgens 424 14.3.1 Double-bond Torsion 424 14.3.2 Double-bond Torsion vs Cyclization in TPE Derivatives 428 14.3.3 Excited-state Intramolecular Proton Transfer (ESIPT) Compounds 431 14.3.4 Ring Puckering 432 14.3.5 Bond Stretching 435 14.3.6 A View of AIE Based on the RACI Model and the Global PES 436 14.4 Crystallization-induced Phosphorescence 436 14.5 Effect of Intermolecular and Intramolecular Interactions on the Photophysics of AIEgens 437 14.5.1 Excitonic Effects in AIE 437 14.5.2 Effect of Intramolecular and Intermolecular Interactions on Emission Color 439 14.6 New Challenges 439 14.6.1 The Role of Dark States in AIE 439 14.6.2 Pressure-induced Emission Enhancement 440 14.6.3 AIE in Transition Metal (TM) Compounds 442 14.7 Conclusions and Outlook 443 References 444 15 Multicomponent Reactions as Synthetic Design Tools of AIE and Emission Solvatochromic Quinoxalines 455Lukas Biesen and Thomas J. J. Müller 15.1 Introduction 455 15.2 Synthetic Approaches to Quinoxalines via Multicomponent Reactions and One-Pot Processes 456 15.3 Photophysical Properties and Emission Solvatochromicity of Quinoxalines 462 15.4 AIE Characteristics and Effects of Quinoxalines 468 15.5 Conclusion 476 Acknowledgments 476 References 476 16 Aggregation-induced Emission Luminogens with Both High-luminescence Efficiency and Charge Mobility 485Ying Yu, Zheng Zhao, and Ben Zhong Tang 16.1 Introduction 485 16.2 p-Type OSCs 487 16.3 n-Type OSCs 495 16.4 Ambipolar OSCs 500 16.5 Conclusion and Perspective 505 References 505 17 Morphology Modulation of Aggregation-induced Emission: From Thermodynamic Self-assembly to Kinetic Controlling 509Kaizhi Gu, Chenxu Yan, Zhiqian Guo, and Wei-Hong Zhu 17.1 Introduction 509 17.2 Aggregation Modulation of AIE Bioprobes via Hydrophilicity Improvement 511 17.2.1 Molecular Modification 511 17.2.2 Polymerization with Hydrophilic Matrix 515 17.3 Thermodynamic Self-assembly of AIE Materials 519 17.4 Morphology Tuning of AIE Nanoaggregates 519 17.5 Kinetic-driven Preparation of AIE NPs 523 17.6 Conclusion and Outlook 527 References 527 18 AIE-active Polymer 531Rong Hu, Anjun Qin, and Ben Zhong Tang 18.1 Introduction 531 18.2 Photophysical Properties 532 18.2.1 Quantum Yield 532 18.2.2 Photosensitization 536 18.2.3 Two-photon Absorption and Emission 538 18.2.4 Circularly Polarized Luminescence 540 18.3 Applications 541 18.3.1 Chem-sensor 541 18.3.2 Bioimaging 543 18.3.3 Therapy Applications 546 18.4 Conclusion and Perspective 549 Acknowledgments 550 References 550 19 Liquid-crystalline AIEgens: Materials and Applications 555Kyohei Hisano, Supattra Panthai, and Osamu Tsutsumi 19.1 Introduction 555 19.2 Materials: Molecular Design 556 19.2.1 Discotic LC AIEgen 556 19.2.2 Calamitic LC AIEgens 561 19.2.3 Polymeric LC AIEgens 566 19.3 Applications of LC AIEgens 567 19.3.1 Linearly Polarized Luminescence 567 19.3.2 Circularly Polarized Luminescence 568 19.4 Conclusion 571 References 571 20 Push–Pull AIEgens 575Andrea Nitti and Dario Pasini 20.1 Introduction 575 20.2 Basic Concept of Molecular Design 576 20.2.1 Photophysical Excited States in Aggregates 576 20.2.2 Fundamental Molecular Design to Achieve Push–Pull AIEgens 579 20.3 Push–Pull AIEgens from Rotor Structure 581 20.3.1 Double Bond Stator 582 20.3.2 Point-restricted Rotors from Atoms or Functional Groups 584 20.3.3 Aromatic Rotors 587 20.4 Push–Pull AIEgens from ACQ Chromophores 589 20.4.1 BT-based AIEgens 589 20.4.2 Cyanine and DCM-based AIEgens 594 20.4.3 QM-based AIEgens 595 20.4.4 DPP-based AIEgens 597 20.4.5 Rylene-based AIEgens 599 20.5 Concluding Remarks 602 References 602 Index 609

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Book SynopsisThesecond volume of theultimate reference on the science and applications of aggregation-induced emission TheHandbook of Aggregation-Induced Emissionexplores foundational and advanced topics in aggregation-induced emission, as well as cutting-edge developments in the field,celebratingtwenty years of progress and achievement in this important and interdisciplinary field.The three volumes combine to offer readers a comprehensive and insightful interpretation accessible to both new and experiencedresearchersworking on aggregation-induced emission. InVolume 2: TypicalAIEgensDesign,the editorsaddress the design and synthesis of typicalAIEgensthat have made significant contributions toaggregation-induced emissionresearch.Recent advances in the development ofaggregation-induced emissionsystems are discussedand the bookcoversnovelaggregation-induced emissionsystems in small moleculeorganogels,polymersomes,metal-organic coordination complexes and metal nanoTable of ContentsList of Contributors xvii Preface to Handbook of Aggregation-Induced Emission xxiii Preface to Volume 2: Typical AIEgens Design xxv 1 Tetraphenylpyrazine-based AIEgens: Synthesis and Applications 1Ming Chen, Anjun Qin, and Ben Zhong Tang 1.1 Introduction 1 1.2 Synthesis of TPP-based AIEgens 3 1.2.1 Cyclization Reaction 3 1.2.2 Suzuki–Miyaura Reaction 7 1.3 Functionalities of TPP-based AIEgens 8 1.3.1 Organic Light-emitting Diodes 8 1.3.2 Fluorescent Sensors 9 1.3.3 Chiral Cage for Self-assembly to Achieve White-light Emission 13 1.3.4 Metal–organic Framework 15 1.4 Conclusion 17 References 18 2 AIEgens Based on 9,10-Distyrylanthracene (DSA): From Small Molecules to Macromolecules 23Leijing Liu, Bin Xu, and Wenjing Tian 2.1 Introduction 23 2.2 Application of AIE Luminogens Based on 9,10-Distyrylanthracene 24 2.2.1 Smart Materials with Stimulus Response 24 2.2.1.1 Piezofluorochromic Materials 24 2.2.1.2 Photochromic Materials 27 2.2.1.3 Thermochromic Materials 27 2.2.1.4 Acidichromic Materials 27 2.2.1.5 Multistimuli-responsive Materials 30 2.2.2 High Solid-state Luminescent Materials 30 2.2.3 Fluorescent Materials for Bioimaging 35 2.2.4 Fluorescent Probes for Chemical and Biological Sensing 41 2.2.4.1 Fluorescent Probes for Chemical Sensing 41 2.2.4.2 Fluorescent Probes for Biological Sensing 44 2.3 Conclusions and Outlook 46 Acknowledgments 47 References 47 3 Typical AIEgens Design: Salicylaldehyde Schiff Base 53Yue Zheng and Aijun Tong 3.1 Introduction 53 3.1.1 AIE and ESIPT of Salicylaldehyde Schiff Base 53 3.1.2 Universal Design of SSB-based AIEgens 55 3.2 Fluorescent Probes 55 3.2.1 Metal Ion Detection and Imaging 55 3.2.2 Biologically and Environmentally Related Molecular Detection and Imaging 63 3.2.3 Ratiometric pH Probes 76 3.2.4 Bioimaging 76 3.3 Fluorescent Materials 81 3.3.1 Solid Fluorescence Emitting and Stimuli-Responsive Materials 81 3.3.2 Nanoparticles 88 3.4 Summary and Perspectives 91 References 92 4 Diaminodicyanoquinodimethanes: Fluorescence Emission Enhancement in Aggregates and Solids 97N. Senthilnathan and T. P. Radhakrishnan 4.1 Introduction 97 4.1.1 Molecular Materials 97 4.1.2 ‘Push–Pull’ Molecules 97 4.1.3 Diaminodicyanoquinodimethanes 98 4.2 Nonlinear Optical Materials based on DADQs 100 4.2.1 Molecular Hyperpolarizability 100 4.2.2 SHG Materials 100 4.2.3 Structure–Property Correlations 101 4.3 Enhanced Fluorescence in Aggregates and Solids Based on DADQs 102 4.3.1 Remote Functionalized Systems 102 4.3.2 Color Tuning, Nanocrystals, and Colloids 103 4.3.3 Ultrathin Films 105 4.3.4 New Directions 105 4.4 Mechanistic Insights into the Enhanced Fluorescence 106 4.4.1 Relevance of Intramolecular Effects 106 4.4.2 Role of Intermolecular Effects 106 4.5 Impact of Crystallinity on the Fluorescence Response 108 4.5.1 Amorphous-to-Crystalline Transformation: Fluorescence Switching and Tuning 108 4.5.2 Reversible Amorphous–Crystalline Transformations: Phase Change Materials 108 4.5.3 Impact of External Stimuli 110 4.6 Emergent and Potential Applications of DADQs 110 4.6.1 Electroluminescence and Nonlinear Optics 110 4.6.2 Bioimaging 110 4.6.3 Photoelectrochemical and Photobioelectrochemical Applications 112 4.6.4 Memory Devices 112 4.7 Concluding Remarks 113 Acknowledgements 114 References 114 5 Aggregation-induced Emission from the Sixth Main Group 119Jan Balszuweit, Bibhisan Roy, and Jens Voskuhl 5.1 Introduction 119 5.2 Oxygen 119 5.2.1 Oxygen-Containing Heterocycles 120 5.2.2 Oxo-ether Containing AIE-Active Luminogens 122 5.3 Sulfur 126 5.3.1 Luminogens Based on Thiophenes 126 5.3.2 Thioethers with Aggregation-Induced Emission Properties 129 5.3.3 Emissive Sulfones 131 5.4 Selenium and Tellurium 132 5.4.1 Selenium-Containing Luminophores 132 5.4.2 Tellurium-Containing Luminophores 134 5.5 Conclusion 138 Acknowledgment 138 References 138 6 Fluorescence Detection of Dynamic Aggregation Processes Using AIEgens: Hexaphenylsilole and Cyanostilbene 143Fuyuki Ito 6.1 Introduction 143 6.2 Selective Detection of Phase Transformation During Evaporative Crystallization of Hexaphenylsilole 145 6.3 Observation of the Initial Stage of Organic Crystal Formation During Solvent Evaporation Using a Cyanostilbene Derivative 149 6.4 Chemometrix Analysis of the Aggregated Structure of Cyanostilbene in a Reprecipitation Solution Using Fluorescence Excitation Spectroscopy 152 6.5 UV-triggered Fluorescence Enhancement of a Dicyanostilbene Derivative Film Cast from an Ethanol Solution 158 6.6 Concluding Remarks 162 Acknowledgments 162 References 162 7 Cyclic Triimidazole Derivatives: An Intriguing Family of Multifaceted Emitters 165Elena Cariati, Elena Lucenti, Andrea Previtali, and Alessandra Forni 7.1 Introduction 165 7.2 The Protoype: Cyclic Triimidazole 166 7.3 Halogenated Derivatives of Cyclic Triimidazole 175 7.3.1 Bromine Derivatives 176 7.3.2 Iodine Derivatives 179 7.4 Organic Derivatives 184 7.4.1 2-Fluoropyridine Derivative 185 7.4.2 Tribenzoimidazole Derivative 186 7.5 Hybrid Inorganic/Organic Derivatives 188 7.6 Conclusions 191 Acknowledgments 191 References 191 8 Synthesis of Multi-phenyl-substituted Pyrrole (MPP)-based AIE Materials and Their Applications 195Zhengxu Cai, Yunxiang Lei, and Yuping Dong 8.1 Introduction 195 8.2 Modular Approach: Systematic Synthesis of MPPs 196 8.3 Structures and Photophysical Properties 198 8.4 Applications of MPP-based Materials 204 8.4.1 Chemical/Biological Sensing 204 8.4.2 Multi-stimulus Response Materials 208 8.4.3 Optoelectronic Systems 210 8.4.4 Biological Application 213 8.5 Conclusion and Outlook 216 References 216 9 Development of a New Class of AIEgens: Tetraarylpyrrolo [3,2-b] Pyrroles (TAPPs) 221Vishal G. More, Ratan W. Jadhav, Mohammad Al Kobaisi, Lathe A. Jones, and Sheshanath V. Bhosale 9.1 Introduction 221 9.2 The Accidental Discovery of TAPP 223 9.3 Synthesis of TAPP 223 9.4 Possible Mechanism of TAPP Synthesis 227 9.5 Reactivity of TAPP 228 9.6 π-Expansion of TAPP 229 9.7 π-Expanded 1,4-dihydropyrrolo[3,2-b] pyrrole 231 9.8 Photophysical Optical Properties of TAPP 239 9.9 Conclusion and Outlook 245 Acknowledgments 247 References 247 10 Small Molecule Organogels from AIE Active α-Cyanostilbenes 255Jagadish Katla, Beena Kumari, and Sriram Kanvah 10.1 Introduction 255 10.2 Organogels with Trifluoromethyl Substitution 256 10.3 Organogels with Chiral Units/Chiral Hosts 260 10.4 Stimuli–Responsive Organogels 262 10.5 Organogels with Sensing Applications 266 10.6 Concluding Remarks 271 Acknowledgments 271 References 271 11 Stimuli-responsive Pure Organic Luminescent Supramolecules 277Siyu Sun and Xiang Ma 11.1 Introduction 277 11.2 Pure Organic Fluorescent Supramolecules 280 11.2.1 Pure Organic Fluorescent Supramolecules Containing Macrocycles 280 11.2.1.1 Pure Organic Fluorescent Supramolecules Containing Cyclodextrins 280 11.2.1.2 Pure Organic Fluorescent Supramolecules Containing Calixarenes 284 11.2.1.3 Pure Organic Fluorescent Supramolecules Containing Cucurbiturils 284 11.2.1.4 Pure Organic Fluorescent Supramolecules Containing Pillararene 288 11.2.1.5 Pure Organic Fluorescent Supramolecules Containing Crown Ether 290 11.2.2 Pure Organic Fluorescent Supramolecules Without Macrocycles 291 11.3 Pure Organic Phosphorescent Supramolecules 293 11.3.1 Pure Organic Phosphorescent Supramolecules Based on Macrocyclic Molecules 293 11.3.1.1 Pure Organic Phosphorescent Supramolecules Containing Cyclodextrin 293 11.3.1.2 Pure Organic Phosphorescent Supramolecules Containing Cucurbiturils 297 11.3.1.3 Pure Organic Phosphorescent Supramolecules Containing Calixarenes 297 11.3.1.4 Pure Organic Phosphorescent Supramolecules Containing Crown Ether 297 11.3.2 Pure Organic Phosphorescent Supramolecules Without Macrocyclic Molecules 299 11.3.2.1 Pure Organic Supramolecular Phosphorescence System With Doping-Based Host–Guest Interaction 299 11.3.2.2 Other Pure Organic Phosphorescent Supramolecules 301 11.4 Conclusions 306 Acknowledgments 306 References 307 12 AIE Fluorescent Polymersomes 311Hui Chen and Min-Hui Li 12.1 Introduction 311 12.2 Structural Consideration of Block Copolymers for Polymersome Formation 314 12.3 Methods of Polymersome Preparation 315 12.4 Techniques of Polymersome Characterization 317 12.5 AIE Polymersomes Based on PEG-b-POSS 317 12.6 AIE Polymersomes Based on Amphiphilic Polypeptoids 319 12.7 AIE Polymersomes Based on PEG-b-Polycarbonate 321 12.8 AIE Polymersomes Based on Amphiphilic Polynorbornene 323 12.9 AIE Polymersomes Based on Amphiphilic Block Copolymers by RAFT Polymerization 326 12.10 Summary and Perspectives 330 References 334 13 Designs for AIE Molecules and Functional Luminescent Materials Based on Boron-containing Element-blocks 341Kazuo Tanaka, Masayuki Gon, Shunichiro Ito, and Yoshiki Chujo 13.1 Introduction 341 13.1.1 Generals of Commodity Luminescent Boron Complexes 341 13.1.2 Trends in the Development of Advanced Organic Electronic Devices 342 13.1.3 Strategies for Obtaining Solid-state Luminescence and Stimuli-responsiveness 343 13.1.4 New Ideas for Material Design Based on “Element-blocks” 343 13.2 Solid-state Luminescence and Luminochromism of o-Carboranes 344 13.2.1 Emission Mechanism of Aryl-modified o-Carboranes 344 13.2.2 AIE Behavior of o-Carborane Materials 344 13.2.3 Formation of Twisted Intramolecular Charge Transfer (TICT) State in the Crystalline State of o-Carboranes 346 13.2.4 Thermochromic Luminescence of o-Carboranes 346 13.2.5 Intense Solid-state Luminescent Molecules 347 13.2.6 Solid-state Excimer Emission 348 13.3 Boron Complexes with β-Ketimine and β-Diketimine Ligands 349 13.3.1 Generals of Boron Ketiminates and Diketiminates 349 13.3.2 Unique Solid-state Luminescent Properties of Conjugated Boron Complexes 350 13.3.3 Thermally Stable Mechanochromic Luminescent Hybrid with the Siloxane Unit 350 13.3.4 Luminescent Properties of β-Diketiminate Complexes 352 13.3.5 AIE-active Conjugated Polymers 352 13.3.6 Design for Film-type Sensors 353 13.3.7 Sensitive Luminochromic Sensors with Gallium Complexes 354 13.4 Rational Design for AIE-active Molecules Based on “Flexible” Boron Complexes 355 13.4.1 Concept for Rational Design 355 13.4.2 Ring-fused or Nonring-fused Molecules 355 13.4.3 Thermosalient-active Molecules 357 13.4.4 Solid-state Luminescent π-Conjugated Polymer 358 13.5 Conclusion 359 References 359 14 Aggregation-induced Emission (AIE) Active Metal–Organic Coordination Complexes 367Xueliang Shi, Xuzhou Yan, and Hai-Bo Yang 14.1 Introduction 367 14.2 Conception and Design Strategy 368 14.3 AIE Active Metallacycles 371 14.3.1 AIE Active Simple Metallacycles 371 14.3.2 AIE Active Fused Metallacycles 378 14.3.3 AIE Active Metallacycle Polymers 382 14.4 AIE Active Metallacages 389 14.5 AIE Active Metal–organic Frameworks (MOFs) 397 14.6 Summary and Outlook 405 Acknowledgments 406 References 406 15 AIE-type Luminescent Metal Nanoclusters 411Zhennan Wu, Qiaofeng Yao, and Jianping Xie 15.1 Introduction 411 15.2 In the “Single-cluster” Scenario 412 15.2.1 AIE-type Luminescent Metal NCs 412 15.2.2 Atomically Precise AIE-type Luminescent Metal NCs 416 15.2.3 Approaches to Luminescence Enhancement of Metal NCs in the Scheme of AIE 418 15.2.3.1 Surface Engineering 418 15.2.3.2 Roles of the Core 422 15.3 Beyond the “Single-cluster” Scenario 423 15.3.1 Poor-solvent-induced AIE of Metal NCs 423 15.3.2 Ion-induced AIE of Metal NCs 423 15.3.3 Supramolecular Interactions Induced AIE of Metal NCs 426 15.3.4 Spatial Confinement-induced AIE of Metal NCs 429 15.4 Application of the AIE-type Luminescent Metal NCs 433 15.4.1 Chemical Sensing 433 15.4.2 Biological Applications 434 15.4.3 Photosensitizer 434 15.4.4 Light-emitting Diodes (LEDs) 434 15.5 Conclusion and Outlook 436 References 437 16 Aggregation-induced Emission in Coinage Metal Clusters 443Shuang-Quan Zang and Kai Li 16.1 Introduction 443 16.2 AIE-active Gold Cluster 444 16.3 AIE-active Silver Cluster 450 16.4 AIE-active Copper Cluster 454 16.5 AIE-active Bimetallic Cluster 462 16.6 Conclusions 465 References 466 17 Activated Alkynes in Metal-free Bioconjugation 471Xianglong Hu and Ben Zhong Tang 17.1 Introduction 471 17.2 Alkyne–Azide-based Bioconjugation 472 17.3 Activated Alkyne–Amine-based Bioconjugation 473 17.4 Activated Alkyne–Thiol-based Bioconjugation 480 17.5 Activated Alkyne–Hydroxyl-based Bioconjugation 483 17.6 Activated Alkyne-based Bioconjugation and Polymerization in Living Cells and Pathogens 484 17.7 Conclusion 488 References 488 18 AIE-active BODIPY Derivatives 493Yali Liu, Yuzhang Huang, Rongrong Hu, and Ben Zhong Tang 18.1 Introduction 493 18.2 Structures of BODIPY Derivatives 495 18.2.1 BODIPY Derivatives Without Other Chromophore 495 18.2.2 TPE-containing BODIPYs 496 18.2.3 TPA-containing BODIPYs 498 18.2.4 Benzodithiophene-containing BODIPYs 499 18.2.5 Chiral BODIPYs 500 18.2.6 Metal-containing BODIPYs 502 18.2.7 BODIPY-containing Polymers 503 18.2.8 Other BODIPY Derivatives 504 18.3 Structural–property Relationship 508 18.3.1 Conjugation Effect 508 18.3.2 Number and Position of Substitutes 508 18.3.3 Substitution Group 513 18.3.4 Alkyl Substitutes on BODIPY Core 516 18.3.5 AIEgens Attached Through Nonconjugated Spacers 518 18.3.6 Other Substitution Structures 519 18.4 Application 522 18.4.1 Chemosensor 522 18.4.2 Bioimaging 526 18.5 Conclusion 532 References 532 19 Photochemistry-regulated AIEgens and Their Applications 537Xia Ling and Meng Gao 19.1 Introduction 537 19.2 Photocleavage Reaction 537 19.3 Photoreduction Reaction 539 19.4 Photocyclodehydrogenation Reaction 540 19.5 Photooxidative Dehydrogenation Reaction 543 19.6 Spiropyran-merocyanine Reversible Conversion 544 19.7 Dithienylethene-based Ring-open/-closing Reaction 545 19.8 Enol–Keto Isomerization Reaction 550 19.9 E/Z Isomerization Reaction 552 19.10 Photo-induced [2 + 2] Cycloaddition 554 19.11 Combinational Photoreactions 554 19.12 Conclusion and Outlook 556 References 556 20 Design and Development of Naphthalimide Luminogens 559Niranjan Meher and Parameswar Krishnan Iyer 20.1 Introduction 559 20.2 Naphthalimides with N-Functionalization (I) 564 20.3 Naphthalimides Substituted at the 4th Position with Oxygen Atom (II) 567 20.4 Naphthalimides Substituted at the 4th Position with Nitrogen Atom (III) 570 20.5 Naphthalimides with C−C Aromatic Substitution (IV) 571 20.6 Naphthalimides with C−C Double-and Triple-Bond Substitutions (V and VI) 574 20.7 Naphthalimides with the Significant Role of Multifunctionalization (VII) 576 20.8 Conclusion and Outlooks 580 References 581 Index 587

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Book SynopsisThethirdvolume of the ultimate reference on the science and applications of aggregation-induced emission TheHandbook of Aggregation-Induced Emissionexplores foundational and advanced topics in aggregation-induced emission, as well as cutting-edge developments in the field,celebratingtwenty years of progress and achievement in this important and interdisciplinary field.The three volumes combine to offer readers a comprehensive and insightful interpretation accessible to both new and experiencedresearchersworking on aggregation-induced emission. InVolume3:Emerging Applications, the editorsaddress theapplications ofAIEgensin several fields, including bio-imaging, fluorescent molecular switches, electrochromic materials, regenerative medicine, detection of organic volatile contaminants,hydrogels, andorganogels.Topics covered include: AIE-active emitters and their applications in OLEDs,and circularly polarized luminescence of aggregation-inTable of ContentsList of Contributors xv Preface xxi Preface to Volume 3: Applications xxiii 1 AIE-active Emitters and Their Applications in OLEDs 1Qiang Wei, Jiasen Zhang, and Ziyi Ge 1.1 Introduction 1 1.2 Conventional Aggregation-induced Emissive Emitters 4 1.2.1 Blue Aggregation-induced Emissive Emitters 4 1.2.2 Green Aggregation-induced Emissive Emitters 7 1.2.3 Red Aggregation-induced Emissive Emitters 8 1.2.4 Aggregation-induced Emission-active Emitters-Based White OLED 9 1.3 High Exciton Utilizing Efficient Aggregation-induced Emissive Materials 13 1.3.1 Aggregation-induced Phosphorescent Emissive Emitters 13 1.3.2 Aggregation-induced Delayed Fluorescent Emitters 14 1.3.3 Hybridized Local and Charge Transfer Materials Aggregation-induced Emissive Emitters 15 1.4 Conclusion and Outlook 16 References 18 2 Circularly Polarized Luminescence of Aggregation-induced Emission Materials 27Fuwei Gan, Chengshuo Shen, and Huibin Qiu 2.1 Introduction of Circularly Polarized Luminescence 27 2.2 Small Organic Molecules 28 2.3 Macrocycles and Cages 33 2.4 Metal Complexes and Clusters 35 2.5 Supramolecular Systems 37 2.6 Polymers 46 2.7 Liquid Crystals 50 2.8 Conclusions and Outlook 51 References 53 3 AIE Polymer Films for Optical Sensing and Energy Harvesting 57Andrea Pucci 3.1 Introduction 57 3.2 Working Mechanism of AIEgens 59 3.3 AIE-doped Polymer Films for Optical Sensing 61 3.3.1 Mechanochromic AIE-doped Polymer Films 61 3.3.2 Thermochromic AIE-doped Polymer Films 65 3.3.3 Vapochromic AIE-doped Polymer Films 67 3.4 AIE-doped Polymer Films for Energy Harvesting 70 3.5 Conclusions 72 References 73 4 Aggregation-induced Electrochemiluminescence 79Serena Carrara 4.1 Introduction: From Electrochemiluminescence to AI-ECL 79 4.1.1 Mechanisms of AI-ECL 81 4.2 Classification and Properties of AI-ECL luminophores 85 4.2.1 Metal Transition Complexes 85 4.2.2 Polymers and Polymeric Nanoaggregates 87 4.2.3 Organic Molecules 90 4.2.4 Hybrid and Functional Materials 93 4.3 Applications and Outlooks 95 References 98 5 Mechanoluminescence Materials with Aggregation-induced Emission 105Zhiyong Yang, Juan Zhao, Eethamukkala Ubba, Zhan Yang, Yi Zhang, and Zhenguo Chi 5.1 Introduction 105 5.2 Mechanoluminescence of Organic Molecules Not Mentioned AIE 107 5.3 ML–AIE Materials 117 5.4 Summary and Outlook 132 References 133 6 Dynamic Super-resolution Fluorescence Imaging Based on Photo-switchable Fluorescent Spiropyran 139Cheng Fan, Chong Li, and Ming-Qiang Zhu 6.1 Introduction 139 6.2 Materials and Methods 141 6.2.1 Materials 141 6.2.2 The Preparation of PSt-b-PEO Block Copolymer Micelles 141 6.2.3 Super-resolution Microscope 141 6.2.4 Super-resolution Imaging 141 6.3 Super-resolution Imaging of Block Copolymer Self-assembly 141 6.4 Optimization of Spatial Resolution 144 6.5 Temporal Resolution 145 6.6 Dynamic Super-resolution Imaging 147 6.7 Conclusion and Prospection 147 References 149 7 Visualization of Polymer Microstructures 151Shunjie Liu, Yuanyuan Li, Ting Han, Jacky W. Y. Lam, and Ben Zhong Tang 7.1 Introduction 151 7.2 Synthetic Polymers 152 7.2.1 Polymer Self-assembly 152 7.2.2 Polymerization Reaction 154 7.2.3 Physical Process Visualization 155 7.2.3.1 Glass Transition Temperature 155 7.2.3.2 Solubility Parameter 157 7.2.3.3 Crystallization 158 7.2.3.4 Microphase Separation 158 7.2.4 Stimuli Response 161 7.2.4.1 Heat Response 161 7.2.4.2 Humidity Response 162 7.2.4.3 Other Response 164 7.3 Biological Polymers 164 7.3.1 DNA Synthesis 165 7.3.2 DNA Sequence 165 7.3.3 Protein Conformation 168 7.3.4 Protein Fibrillation 169 7.3.5 Other Process 171 7.4 Summary and Perspective 172 References 173 8 Self-assembly of Aggregation-induced Emission Molecules into Micelles and Vesicles with Advantageous Applications 179Jinwan Qi, Jianbin Huang, and Yun Yan 8.1 General Background of Micelles and Vesicles 179 8.2 AIE Micelles 180 8.2.1 General Strategies Leading to AIE Micelles 180 8.2.1.1 Incorporating Tetraphenylethylene (TPE) Unit into Single-Chained Surfactants 180 8.2.1.2 Incorporating Tetraphenylethylene (TPE) Unit into Gemini Surfactants 182 8.2.1.3 Incorporating Platinum Complex into Amphiphiles 182 8.2.1.4 Polymeric AIE Micelles 183 8.2.1.5 Coassembled AIE Micelles 188 8.2.2 Applications of AIE Micelles 190 8.2.2.1 Untargeted Bioimaging 191 8.2.2.2 Targeted Bioprobing 192 8.2.2.3 Micellar Theranostics 193 8.2.2.4 Sensing 197 8.2.2.5 Visualization of Physical Chemistry Process 199 8.3 AIE Vesicles 203 8.3.1 AIE Vesicles Based on Synthetic Amphiphiles 203 8.3.1.1 Synthetic Ionic Amphiphiles 203 8.3.1.2 Synthetic Nonionic AIE Amphiphiles 203 8.3.1.3 Synthetic Nonamphiphilic AIE Molecules 205 8.3.2 Supramolecular AIE Vesicles 206 8.3.2.1 AIE Vesicles Directed by Host–Guest Chemistry 208 8.3.2.2 AIE Vesicles Based on Electrostatic Interactions 209 8.3.2.3 AIE Vesicles Based on Coordination Interactions 209 8.3.3 Applications of AIE Vesicles 210 8.3.3.1 Cell Models 210 8.3.3.2 Bioimaging 211 8.3.3.3 Theranostics 212 8.3.3.4 Light-harvesting 214 8.3.3.5 Other Applications 216 8.4 Summary and Outlooks 217 References 217 9 Vortex Fluidics-mediated Fluorescent Hydrogels with Aggregation-induced Emission Characteristics 221Javad Tavakoli and Youhong Tang 9.1 Introduction 221 9.2 Tunning the Size and Property of AIEgens, a New Approach to Create FL Hydrogels with Superior Properties 222 9.3 AIEgens for Characterization of Hydrogels 231 9.4 Conclusion 238 References 238 10 Design and Preparation of Stimuli-responsive AIE Fluorescent Polymers-based Probes for Cells Imaging 243Juan Qiao and Li Qi 10.1 Introduction 243 10.2 Design and Preparation Strategies for AIE–SRP Probes 246 10.2.1 Mechanism of AIE–SRP Probes 246 10.2.2 Stimuli-Responsive Polymers 247 10.2.2.1 Thermal-Sensitive Polymers 247 10.2.2.2 pH-Sensitive Polymers 247 10.2.2.3 Photo-Sensitive polymers 247 10.2.2.4 Protein-Sensitive Polymers 248 10.2.3 AIE Dyes 249 10.2.4 Combination of Stimuli-Sensitive Polymer and AIE Dyes 251 10.2.4.1 Chemical Synthesis 251 10.2.4.2 Physical Blending 256 10.3 Application of AIE–SRP Probes 257 10.3.1 Thermal-Sensitive Application 257 10.3.2 pH-Sensitive Application 259 10.3.3 Photo-Sensitive Application 260 10.3.4 Protein-Sensitive Application 260 10.3.5 MultiSensitive Application 260 10.4 Summary and Prospect 262 References 263 11 AIE: New Strategies for Cell Imaging and Biosensing 269Tracey Luu, Bicheng Yao, and Yuning Hong 11.1 Introduction 269 11.2 Cellular Imaging 271 11.2.1 Cytoplasma Membrane Imaging 272 11.2.2 Mitochondria Imaging 273 11.2.3 Lysosome Imaging 275 11.2.4 Lipid Droplet Imaging 276 11.2.5 Nucleus Imaging 277 11.3 Biosensing 278 11.3.1 Ions 279 11.3.2 Lipids and Carbohydrates 281 11.3.3 Amino Acids, Proteins, and Enzymes 283 11.3.4 Nucleic Acids and Pathogens 286 11.4 Conclusion 289 References 289 12 AIE-based Systems for Imaging and Image-guided Killing of Pathogens 297Jiangman Sun, Fang Hu, Yongjie Ma, Yufeng Li, Guan Wang, and Xinggui Gu 12.1 Introduction 297 12.2 Bacteria Imaging Based on AIEgens 298 12.2.1 Broad-spectrum Bacterial Imaging and Identification 299 12.2.2 Gram Positive and Gram Negative Bacteria Distinguishing 299 12.2.3 Long-term Bacterial Tracking 303 12.2.4 Live and Dead Bacteria Discrimination Based on AIEgens 304 12.3 Bacteria-targeted Imaging and Ablation Based on AIEgens 305 12.3.1 Surfactant-structure Based AIEgens for Bacterial Elimination 305 12.3.2 Photodynamic Therapy for Bacterial Elimination 309 12.3.2.1 Vancomycin-bacteria Interaction Mediated Photodynamic Ablation 309 12.3.2.2 Positive-charged AIE PS for Bacteria Ablation 311 12.3.2.3 Metabolic Labeling-mediated Imaging and Photodynamic Ablation 313 12.3.3 AIEgen with Antimicrobial Agents for Bacteria Elimination 315 12.3.4 Biodegradable Biocides for Bacteria Elimination 315 12.4 Bacterial Susceptibility Evaluation and Antibiotics Screening 315 12.5 Sensors for Bacterial Detection Based on AIEgens 317 12.5.1 Fluorescent Sensor Arrays 317 12.5.2 Biosensors Constructed by Electrospun Fibers 319 12.5.3 Micromotors for Bacterial Detection 320 12.6 Conclusions and Perspectives 321 References 321 13 AIEgen-based Trackers for Cancer Research and Regenerative Medicine 329Chen Zhang and Kai Li 13.1 Introduction 329 13.2 AIEgens for Long-term Cancer Cell Tracking 330 13.2.1 AIEgen-based Long-term Cell Trackers with Emission in the Visible Range 330 13.2.2 AIEgen-based Long-term Cell Trackers with Near-infrared (NIR) Emission 334 13.2.3 AIEgen-based Long-term Cell Trackers with Multiphoton Absorption 335 13.2.4 AIEgen-based Hybrid or Multifunctional Systems for Cell Tracking 336 13.3 AIEgens for Stem Cell-based Regenerative Medicine and Regeneration-related Process 338 13.3.1 AIEgen-based Trackers for Adipose-derived Stem Cells 338 13.3.2 AIEgen-based Trackers for Bone Marrow Stem Cells 340 13.3.3 AIEgen-based Trackers for Embryo-related Cells 342 13.3.4 AIEgens for Monitoring Biological Process in Regenerative Medicine 345 13.3.5 AIEgen-based Nanocomplexes in Regenerative Medicine 346 13.4 Conclusion 347 References 350 14 AIE-active Fluorescence Probes for Enzymes and Their Applications in Disease Theranostics 355Jianguo Wang and Guoyu Jiang 14.1 Introduction 355 14.2 AIE-active Fluorescence Probes for Enzymes and Their Applications in Disease Theranostics 356 14.2.1 AIE-active Fluorescence Probes for Alkaline Phosphatase 356 14.2.2 AIE-active Fluorescence Probes for Caspases 358 14.2.3 AIE-active Fluorescence Probes for Cathepsin B 361 14.2.4 AIE-active Fluorescence Probes for β-Galactosidase 363 14.2.5 AIE-active Fluorescence Probes for γ-Glutamyltranspeptidase 365 14.2.6 AIE-active Fluorescence Probes for Reductases 366 14.2.6.1 AIE-active Fluorescence Probes for AzoR 366 14.2.6.2 AIE-active Fluorescence Probes for NQO1 369 14.2.6.3 AIE-active Fluorescence Probes for NTR 369 14.2.6.4 AIE-active Fluorescence Probes for CYP450 Reductase 371 14.2.7 AIE-active Fluorescence Probes for Chymase 371 14.2.8 AIE-active Fluorescence Probes for Esterase 372 14.2.8.1 AIE-active Fluorescence Probes for CaE 372 14.2.8.2 AIE-active Fluorescence Probes for Lipase 375 14.2.9 AIE-active Fluorescence Probes for Histone Deacetylase 376 14.2.10 AIE-active Fluorescence Probes for MMP-2 379 14.2.11 AIE-active Fluorescence Probes for Furin 380 14.2.12 AIE-active Fluorescence Probes for Trypsin 380 14.2.13 AIE-active Fluorescence Probes for Telomerase 385 14.2.14 AIE-active Fluorescence Probes for DPP-4 386 14.3 Summary and Outlook 387 References 388 15 AIE Nanoprobes for NIR-II Fluorescence In Vivo Functional Bioimaging 399Zhe Feng, Xiaoming Yu, and Jun Qian 15.1 Introduction 399 15.2 NIR-II Fluorescence Macroimaging In Vivo 400 15.3 NIR-II Fluorescence Wide-field Microscopic Imaging In Vivo 436 15.4 NIR-II Fluorescence Confocal Microscopic Imaging In Vivo 440 15.5 Summary and Perspectives 441 References 444 16 In Vivo Phototheranostics Application of AIEgen-based Probes 447Zhiyuan Gao, Heqi Gao, and Dan Ding 16.1 Introduction 447 16.2 AIE Fluorescent Probe with Photodynamic Therapy Function 448 16.3 AIE Photoacoustic Probe with Photothermal Therapy Function 451 16.4 Application of AIE Fluorescent Probe in Synergistic Therapy 454 16.5 AIE Fluorescent Probe with Immunotherapy Function 458 16.6 Conclusions and Perspectives 460 References 460 17 Red-emissive AIEgens Based on Tetraphenylethylene for Biological Applications 465Yanyan Huang, Fang Hu, and Deqing Zhang 17.1 Introduction 465 17.2 TPE-based AIEgens with Dicyanovinyl Group 466 17.2.1 Design of Red-emissive AIEgens with Dicyanovinyl Group 466 17.2.2 Red-emissive AIEgens as Photosensitizers 469 17.2.3 Photosensitization Enhancement of AIEgens with Dicyanovinyl Group 471 17.2.4 Self-assembly of AIEgens with Dicyanovinyl Groups 473 17.3 Pyridinium-based AIEgens 475 17.3.1 Photophysical Properties of Pyridinium-based AIEgens 475 17.3.2 Bio-sensing Applications of Pyridinium-substituted Tetraphenylethylenes 477 17.3.3 Bacterial Imaging and Ablation 479 17.3.4 Imaging and Interrupting Mitochondria and Related Biological Processes with Pyridinium-based AIEgens 480 17.4 Summary and Perspectives 485 References 485 18 Smart Luminogens for the Detection of Organic Volatile Contaminants 491Niranjan Meher and Parameswar Krishnan Iyer 18.1 Introduction 491 18.2 Smart AIE Nanomaterials and their Sensing Applications for OVCs 493 18.2.1 Organic Framework 493 18.2.2 Molecular Rotors 499 18.2.3 Other Small Molecule 502 18.3 Summary and Outlook 506 References 506 19 Bulky Hydrophobic Counterions for Suppressing Aggregation-caused Quenching of Ionic Dyes in Fluorescent Nanoparticles 511Ilya O. Aparin, Nagappanpillai Adarsh, Andreas Reisch, and Andrey S. Klymchenko 19.1 Introduction 511 19.2 Counterion Effect in Nanomaterials Based on Conventional Bright Fluorophores 513 19.3 Counterions and Aggregation-induced Emission 516 19.3.1 Counterion Effect in AIE Dyes 517 19.3.2 Ionic AIE: Lighting Up Environment-sensitive Ionic Dyes in Nanomaterials 519 19.4 Dye-loaded Polymeric NPs and the Crucial Role of Bulky Counterions 523 19.4.1 Principle 523 19.4.2 The Role of the Polymer 525 19.4.3 The Role of the Counterion 525 19.4.4 Dye Nature 528 19.4.5 Energy Transfer, Collective Behavior of Dyes and Biosensing 531 19.5 Conclusions 532 References 534 20 Fluorescent Silver Staining Based on a Fluorogenic Ag+ Probe with Aggregation-induced Emission Properties 541Chuen Kam, Sheng Xie, Alex Y. H. Wong, and Sijie Chen 20.1 Introduction 541 20.2 Historical Background of Silver Staining 541 20.2.1 Silver Staining for Neurological Studies 542 20.2.2 Silver Staining from Neuroscience to Proteomics 544 20.3 Conventional Silver Staining Methods 544 20.4 Fluorogenic Probes for Ag+ Detection 546 20.5 Fluorogenic Silver Staining in Polyacrylamide Gel 550 20.6 Concluding Remarks 554 References 554 Index 559

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Book SynopsisX-Ray Fluorescence in Biological Sciences Discover a comprehensive exploration of X-ray fluorescence in chemical biology and the clinical and plant sciences In X-Ray Fluorescence in Biological Sciences: Principles, Instrumentation, and Applications, a team of accomplished researchers delivers extensive coverage of the application of X-ray fluorescence (XRF) in the biological sciences, including chemical biology, clinical science, and plant science. The book also explores recent advances in XRF imaging techniques in these fields. The authors focus on understanding and investigating the intercellular structures and metals in plant cells, with advanced discussions of recently developed micro-analytical methods, like energy dispersive X-ray fluorescence spectrometry (EDXRF), total reflection X-ray fluorescence spectrometry (TXRF), micro-proton induced X-ray emission (micro-PIXE), electron probe X-ray microanalysis (EPXMA), synchrotron-based X-ray fluorescence Table of ContentsChapter No. Primary Author Contact Authors Chapter Title 1 Kanishka Rawat Kanishka Rawat X-ray Fluorescence and Comparison with Other Analytical Methods (AAS, ICP-AES, LA-ICP-MS, IC, LIBS, SEM-EDS, and XRD) 2 Eva Marguí Eva Marguí X-ray Fluorescence for Multi-elemental Analysis of Vegetation Samples 3 А.G. Revenko А.G. Revenko X-ray Fluorescence Studies of Tea and Coffee 4 Nand Lal Mishra Nand Lal Mishra Total Reflection X-ray Fluorescence Analysis of Biological Samples 5 Changling Lao Changling Lao Micro X-ray Fluorescence and X-ray Absorption Near Edge Structure Analysis of Heavy Metals in Microorganism 6 Yeasmin Nahar Jolly Yeasmin Nahar Jolly Use of Energy Dispersive X-ray Fluorescence for Clinical Diagnosis 7 Nuray Kup Aylikci Nuray Kup Aylikci Preparation of Sample for X-ray Fluorescence Analysis 8 M.K. Tiwari M.K. Tiwari Elemental Analysis Using Synchrotron Radiation X-ray Fluorescence 9 KatarinaVogel Mikuš KatarinaVogel Mikuš Synchrotron Radiation Based Micro X-ray Fluorescence Spectroscopy of Plant Materials 10 Jian Liu Jian Liu Micro X-ray Fluorescence Analysis of Toxic Elements in Plants 11 Jing Yuan Jing Yuan Micro X-ray Fluorescence Studies of Earthworm (Benthonic fauna) in Soils and Sediments 12 V.A.Trunova V.A.Trunova Synchronous Radiation X-ray Fluorescence Analysis of Microelements in Biopsy Tissues 13 Nand Lal Mishra Nand Lal Mishra Total Reflection X-ray Fluorescence Analysis of Marine Organisms, Blood, Oral Fluids, Hairs, Nails, Kidney Stones, Urine and Cancerous Tissues 14 M.K. Tiwari M.K. Tiwari Recent Developments in X-ray Fluorescence for Characterization of Nano-Structured Materials 15 Artem S. Maltsev Artem S. Maltsev Total-Reflection X-ray Fluorescence Analysis of Alcoholic and Non-Alcoholic Beverages 16 Tsenddavaa Amartaivan Tsenddavaa Amartaivan Trace Elements Analysis of Blood Samples and Serum using Total Reflection X-ray Fluorescence 17 Navgeet Kaur Navgeet Kaur Basics and Fundamentals of X-rays 18 Rakesh K. Sindhu Rakesh K. Sindhu General Principle, Procedures and Detectors of X-ray Fluorescence 19 Neslihan Ekinci Neslihan Ekinci Quantitative Analysis in X-ray Fluorescence System 20 Marco Carminati Marco Carminati Electronics and Instrumentation for X-ray Fluorescence 21 Marijan Nečemer Katarina Vogel-Mikuš Energy Dispersive X-ray Fluorescence Analysis of Biological Materials 22 Galina Pashkova Artem S. Maltsev X-ray Fluorescence Analysis of Milk and Dairy Products 23 E.V. Chuparina E.V. Chuparina X-ray Fluorescence Analysis of Medicinal Plants 24 Neera Yadav Neera Yadav X-ray Fluorescence Studies of Animal and Human Cell Biology 25 Kamya Goyal Anju Goyal Toxic and Essential Elemental Studies of Human Organs using X-ray Fluorescence 26 Hiroshi Yoshii Hiroshi Yoshii X-ray Fluorescence for Rapid Detection of Uranium in Blood Extracted from Wounds 27 D. Bolortuya D. Bolortuya X-ray Fluorescence Analysis of Human Hair 28 Vivek K. Singh Vivek K. Singh X-ray Fluorescence Spectrometry to Study Gallstones, Kidney Stones, Hair, Nails, Bones, Teeth and Cancerous Tissues 29 Dra. Mónica Orduña Cordero Dra. Mónica Orduña Cordero Sampling and Sample Preparation for Chemical Analysis of Plants by Wavelength Dispersive X-ray Fluorescence 30 Harinderjit Singh Harinderjit Singh X-ray Fluorescence Analysis in Medical Biology 31 А.G. Revenko А.G. Revenko X-ray Fluorescence Analysis in Pharmacology 32 Héctor Jorge Sánchez Héctor Jorge Sánchez X-ray Fluorescence and State-of-the-Art Related Techniques to the Study of Teeth, Tartar and Oral Tissues 33 Harpreet Singh Kainth Harpreet Singh Kainth Recent Advances in Wavelength Dispersive X-ray Fluorescence Techniques 34 Vitaly Panchuk Dmitry Kirsanov Chemometric Processing of X-ray Fluorescence Data 35 Shilpa Chakrabarti Neera Yadav X-ray Crystallography in Medicinal Biology 36 Kanishka Rawat Kanishka Rawat Historical Fundamentals of X-ray Instruments and Present Trends in Biological Science 37 P. Zuzaan D. Bolortuya X-ray Fluorescence Studies of Biological Objects in Mongolia 38 Jun Kawai Jun Kawai Arsenic Analysis 39 Rakesh K. Sindhu Rakesh K. Sindhu X-ray Fluorescence: Current Trends and Future Scope

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Book SynopsisThe digital transformation is in full swing and fundamentally changes how we live, work, and communicate with each other. From retail to finance, many industries see an inflow of new technologies, disruption through innovative platform business models, and employees struggling to cope with the significant shifts occurring. This Fourth Industrial Revolution is predicted to also transform Logistics and Supply Chain Management, with delivery systems becoming automated, smart networks created everywhere, and data being collected and analyzed universally.?The Digital Transformation of Logistics: Demystifying Impacts of the Fourth Industrial Revolution?provides a holistic overview of this vital subject clouded by buzz, hype, and misinformation. The book is divided into three themed-sections: Technologies?such as self-driving cars or virtual reality are not only electrifying science fiction lovers anymore, but are also increasingly presented as cureTable of ContentsList of Contributors xix Author Biographies xxi Foreword xxix Acknowledgments xxxiii A Note from the Series Editor xxxv Section I Introduction 1 1 Demystifying the Impacts of the Fourth Industrial Revolution on Logistics: An Introduction 3Mac Sullivan Introduction 3 Future of Work in the Fourth Industrial Revolution 3 The Role of Digital Transformation 4 Hub Economy Companies Leading the Way 5 Current State of the Logistics Industry 5 Effects of the Second and Third Industrial Revolutions on Logistics 5 Technology Is Easy; But People Are Hard 6 The Role of Startups in the Logistics Community 6 Logistics Companies Under Pressure 7 Technology Investments by Logistics on the Rise 7 New Entrants Threaten Status Quo 8 Disintermediation Threat Looming 8 Navigating a Digital Transformation 9 Budget Considerations for Technological Upgrades 9 Lessons Learned from Other B2B Industries 10 Automation Leading in Terms of Return on Investment 10 Winners and Losers of a Digital Transformation 11 The Necessity of Economies of Scale 11 Foundations of a Digital Transformation 12 Prioritization of Technology Exploration 12 Connectivity Standardization in Logistics 12 New Business Models Emerging 13 Participation in Platforms and Marketplaces 14 Zoom Out/Zoom In Approach 14 The Time Is Now 15 Conclusion 16 Key Takeaways 17 References 17 Section II Technologies 21 2 Technologies Driving Digital Transformation 23Mac Sullivan References 25 3 Logistics Management in an IoT World 27Axel Neher Introduction 27 Logistics Management in an IoT World 29 Get Connected 29 Criteria for Defining the Right Things 30 Sensors and Identification 30 Means of Connection 31 Triggers 31 Standards 31 Security 32 Get Decisions 33 Get Prepared 34 Data Quality 34 Organization 35 Skills 35 Ecosystem 36 Conclusion 36 Key Takeaways 38 References 39 4 Additive Manufacturing: Shaping the Supply Chain Revolution? 41Johannes Kern Introduction 41 AM Supply Chain 42 Evaluation 43 Advantages 43 Bottlenecks 44 Technologies and Materials 46 Technologies 46 Materials 47 Application Scenarios 50 Market and Trends 51 Market 51 Trends 52 Conclusion 53 Key Takeaways 55 References 55 5 The Role of Robotic Process Automation (RPA) in Logistics 61Mac Sullivan, Walter Simpson, and Wesley Li Introduction 61 Companies Under Pressure 61 RPA as a Solution 62 Evaluating Heavyweight IT to Lightweight IT Automation 62 Achieving Operational Excellence 63 Process Improvement on the Rise 63 Outsourcing Versus Automation 64 Center of Excellence as a Leader of RPA 64 RPA: Hype or Realistic Solution 65 The Facts 65 Rote, Repetitive Tasks Ripe for Automation 65 Process Considerations of Implementing RPA 66 Motivating Example: Konica Minolta Using RPA 67 Konica Minolta’s RPA Roadmap 68 Use Cases for RPA in Logistics 70 Track and Trace 70 RPA Adoption at DHL 71 Navigating Your RPA Journey 71 Who Should Own This RPA Journey? 71 Process Mining and Process Mapping 72 Choosing the Right RPA Provider 72 Change Management Considerations 73 RPA Implementation Announcement 73 Liberated Knowledge Workers 74 Interacting with RPA 74 Training the Bot 74 Next Evolution of RPA Training 75 Conclusion 75 Key Takeaways 76 References 76 6 Blockchain Will Animate Tomorrow’s Integrated Global Logistics Systems 79Nicholas Krapels Introduction 79 The Origins of Blockchain Technology 81 The Potential of Blockchain Technology 84 Revolution via Protocol 84 Essential Properties of Blockchain 85 Blockchain Applications in Logistics 88 Public Blockchain Applications in Logistics 88 Private Blockchain Applications in Logistics 89 Conclusion 92 From Trusted Actors to Trustless Networks 92 Key Takeaways 94 References 94 7 Digitalization Solutions in the Competitive CEP Industry – Experiences from a Global Player in China 97Scott Wang and Johannes Kern Introduction 97 Challenges in Key Logistics Segments 97 Digitalization Solutions Today 98 E-Commerce in China and Its CEP Market 100 A New Competitive Environment 101 Digitalization Solutions of the Future 102 Internet of Things (IoT) 102 Artificial Intelligence (AI) 103 Blockchain 104 Case Study: Enhanced Address Translation Through AI 106 Conclusion 109 Key Takeaways 109 Acknowledgements 110 References 110 8 Understanding the Impacts of Autonomous Vehicles in Logistics 113Lionel Willems Introduction 113 Evolution of AGVs 114 Intelligent Logistics 116 The Automation of Indoor Transport Systems 116 Opportunities for AGVs 117 Challenges of Adopting AGVs 118 The Automation of Outdoor Transport Systems 119 History of the Automation of Outdoor Transport Systems 119 Opportunities and Challenges in Logistics 120 Drones and Their Use in Logistics 122 Conclusion 124 Key Takeaways 124 References 125 9 Logistics in the Cloud-Powered Workplace 129John Berry The Cloud Revolution 129 Growing Dominance of Cloud Computing 130 Infrastructure as a Service (IaaS) 130 Platform as a Service (PaaS) 131 Software as a Service (SaaS) 132 Enabling New Business Models 132 How Software Drives Logistics 133 Warehouse Management Systems (WMS) 134 Transportation Management Systems (TMS) 134 Shortcomings of Conventional Logistics Software 135 Complexity 135 Difficult Data Integration 135 The Impact of SaaS on Logistics 136 A New Technology Delivery Model 136 SaaS Warehouse Management Systems 137 SaaS Transportation Management Systems 138 APIs 138 SaaS-Enabled Value Creation 139 Automation 139 Integration 141 Analytics and Artificial Intelligence 141 Conclusion 142 Key Takeaways 143 References 143 Section III Platforms 147 10 Platforms Enabling Digital Transformation 149Mac Sullivan References 151 11 The Digital Transformation of Freight Forwarders: Key Trends in the Future 153Ruben Huber Introduction 153 The Specter of the Digital Transformation 153 Actors in the Shipment Cycle 153 Key Trends That Will Shape the Future 154 Technology 154 Specialization 156 Omnichannel 157 Virtualization 158 Reshaping Logistics Service 159 Collaboration Is Key 160 Digitalization Impact for White-Collar Workers 162 The Regulatory Environment 163 Conclusion 163 Key Takeaways 164 References 165 12 International Trade Revolution with Smart Contracts 169Matías Aránguiz, Andrea Margheri, Duoqi Xu, and Bill Tran The Blockchain Revolution 169 Smart Contracts 171 Smart Legal Contracts 171 Service Level Agreements 171 Smart Contracts in International Trade 172 Paperless Trade 172 Trade Finance 173 Bill of Lading 173 Letter of Credit 174 Trade Facilitation 174 Smart Import Declaration 175 Trusted Payment 176 we.trade Case Study 177 Information Distribution 178 Information Transmission 178 Tradelens Case Study 178 Information Symmetry 178 Smart Contract Initiatives 179 Government Initiatives 179 Chinese Central Bank 179 South Korea 179 Private Initiatives 180 Mizuho Bank Using IBM 180 Marco Polo Trade Initiative 180 Risks and Challenges of the Implementation 180 Technological Challenges 180 Scalability 180 Sustainability 181 Security 181 Interoperability Challenges 181 Compatibility 181 Data Standardization 182 Legal Issues 182 Validity 182 Privacy 182 Conclusion 182 Key Takeaways 183 References 183 13 Exploring China’s Digital Silk Road 185Andre Wheeler Introduction 185 Digital Integration and Supply Chain Along China’s BRI 186 Challenges of Digitization for the Freight Industry Along the BRI 189 Challenges in China 190 System Connectivity Challenges 191 Digital Silk Road as an Answer to the Digitalization Deadlock 191 Summary 193 Key Takeaways 194 References 195 14 Marine Terminal Operating Systems: Connecting Ports into the Digital World 197Ira Breskin and Ayush Pandey Introduction 197 Terminal Operating Systems 198 Ports and Local Governments Recognizing the Value of Modern TOS 198 An Increasingly Competitive TOS Software Market 199 Navis as a Terminal Operating System 200 Breaking Down the Costs of Implementing a TOS 202 What to Consider When Selecting a TOS? 202 Importance of Visibility at the Terminal 203 Digital Communication is Key 204 The Future of Terminal Operating Systems 204 Conclusion 206 Key Takeaways 207 References 207 15 Improving Cross-Border eCommerce Through Digitalization: The Case of Compliance in B2C Shipments 209Simon de Raadt and Jiao Xu Introduction 209 Customs Clearance as a Barrier Constraining Growth 210 Lack of Integration as the Root Cause of Customs Misdeclaration 212 How the Digitalization Can Revolutionize Cross-Border ECommerce 214 Increased Customer Satisfaction 215 Supply Chain Visibility 215 Speed of Customs Clearance 216 Technology as Enabler for a Cooperative Model 217 Technical Requirements 219 Conclusion 219 Key Takeaways 220 References 220 16 Enabling Platform Business Models for International Logistics 223Sam Heuck and Cory Margand Introduction 223 Current International Logistics Technology Landscape 225 The BCO’s Perspective 230 The Future 232 SimpliShip: Deeper Dive into an Existing Logistics Marketplace 233 The Era of Data and the Impact on the Workforce 235 Conclusion 238 Key Takeaways 238 References 238 17 The Evolution of the Cold Chain: A Story of Increasing Complexity Amidst a Sea of Traditional Thinking 243Alex von Stempel Introduction 243 Cold Chain Transportation 243 Cold Chain Transportation Modes 244 Ocean Freight 244 Airfreight 246 Technological Differentiation Between Air and Ocean Cold Chain Transportation 246 Cold Chain Transportation Considerations 247 Condition Monitoring 247 Controlled Atmosphere (CA) 248 Modified Atmosphere Packaging (MAP) 249 Evolution of Cold Chain Transportation 249 Technology Solutions 251 Blockchain 251 IoT and AI 252 Gaps to be Addressed 252 Food Safety as the Key 253 Conclusion 253 Key Takeaways 254 References 254 Section IV People 257 18 People Navigating Digital Transformation 259Johannes Kern References 261 19 Change Management Falling Short – the Call for Business Transformation 263Michael Teubenbacher Introduction 263 Change Management and Business Transformation – Two Sides of the Same Coin? 264 Business Transformation in the Context of “Digital” 265 Change Management in the Context of “Digital” 267 Business Transformation and Change Management in the Context of the Fourth Industrial Revolution in Logistics 271 Conclusion 274 Key Takeaways 275 References 275 20 Organizational Culture Change: Process to Sustainably Improve Performance 277Robert Mostert and Johannes Kern Introduction 277 OCC Business Practices 279 Strategic Matching 279 Purpose, Vision, and Mission 281 Values and Beliefs 281 Recruitment and Placement 283 Training and Development 283 Rewards and Recognition 284 Performance Management and Feedback 285 Artifacts 286 OCC at Toll 287 Background 287 New Purpose, Values, and the Case for Change 288 Changing the Way to Manage Performance 291 Tone from the Top (Leadership) 292 Next Steps 292 Conclusion 293 Key Takeaways 294 References 295 21 Competence Management as an Enabler for the Digital Transformation of the Supply Chain 299Jiayu Sun Introduction 299 Competence Management in Supply Chain Functions 300 Fundamentals of Competence Management 300 Bosch Case Study: A Competence Model Example 300 Current Competencies Required 301 Future Competences Needed 301 Digital Transformation Competence Management: A Learning Transformation 303 Fundamentals of Learning 303 Transitioning from Passive Learning to Active Learning 304 Transitioning from Classroom Training to Digital Learning 305 Future Learning Trends 305 Micro-learning 305 Mobile Learning 306 AR/VR 306 Blended Learning 307 Conclusion 307 Key Takeaways 308 References 308 22 Impacts of Digitalization on Traceability: A Case Study of the Carbon Fiber Supply Chain 311Cameron Johnson Introduction 311 Carbon Fiber, The Material of the Future 312 Global Supply Chains: A Fragmented Picture 312 Several Constraints Characterize the Global Supply Chain 313 Case Studies on Lack of Material Traceability and Digitalization 314 Case Study 1: An Aerospace Company Losing a Qualified Supplier 314 Quality Management 315 Quality Control 315 Standards 315 Case Study 2: Traceability, Which Affects Efficiency and Compliance 315 Case Study 3: A Global Carbon Fiber Converter’s Internal Waste System Could Use an Upgrade 318 Tracking Waste 319 Compliance 320 Digitalization Benefits in the Global Carbon Industry 320 Implementation Challenges 320 Manual Entry 320 Cost 321 Training and staffing 321 Motivation 321 Digitization Opportunities 321 Conclusion 322 Key Takeaways 322 References 323 23 The Evolution of Freight Forwarding Sales 329Mac Sullivan, Dennis Wong, and Zheyuan Tang Introduction 329 The Rise of the Digital Freight Forwarder as a New Entrant 329 Market Shifts 330 Amazon Effect 330 Instant Visibility and Pricing 331 Redefining Customer Service 332 The Evolution of Freight Forwarding Sales 332 The Traditional Sales Representative 332 Traditional Sales Reps Evolving 333 Rise of Technology and Its Effects on Sales 333 Connectivity 334 Freight Forwarding Sales Executives at Risk of Losing Their Jobs? 335 Analytical and Creativity as Valued Skills 335 Future Job Market 336 Sales Enablement in a Digital Age 336 Information 337 Training 338 Talent 338 New Cultures and Skills 339 Conclusion 340 Key Takeaways 341 References 341 24 Managing and Selecting Logistics Service Suppliers 345Colin Cobb and Dyci Sfregola Introduction 345 Identifying Business Needs, Capacity, and Capabilities 346 Motivational Example 347 Background 347 Current State Enterprise Network 348 Services that Will Be Needed to Achieve the Goal 348 Industry Vertical Experience 348 Technology Solutions 348 Forecasted and Desired Demand 348 Previous Wins and Challenges 348 Deconstructing the Issues 349 Defining a Solution 349 Choosing a Solution 350 Sourcing and Managing Suppliers in the Continuum 350 Strategies for Developing Strategic Alliance 351 The Vested Outsourcing Model 351 Pricing Considerations for Outsourcing 353 The Roadmap for Success: Onboarding, Measurements, and Service Level Agreements 354 Key Performance Metrics 355 On-Time Delivery (Inbound) 355 Order Accuracy 355 Cost per Shipment 355 Customer Order Cycle Time 356 Carrier Scan Rate 356 Inbound (Purchased) Order Cycle Time 356 Inventory Accuracy 356 Fill Rate 356 Data or Document Transfer Error Rate 357 Logistics Billing Accuracy 357 Supplier Development and Managing the Supplier Relationship 357 Conclusion 358 Key Takeaways 358 References 359 Section V Conclusion 361 25 The Digital Transformation of Logistics: A Review About Technologies and Their Implementation Status 363Johannes Kern Introduction 363 State of Digitalization in Logistics and Supply Chain Management 365 Logistics Infrastructure 365 Seaports 365 Airports 366 Warehousing 368 Logistics Execution 371 Road Transport 371 Sea Transport 376 Air Transport 378 Courier, Express, and Parcel Delivery (CEP) 381 Logistics Services and Advisory 387 Conclusion 391 Key Takeaways 393 Acknowledgments 394 References 394 Glossary 405 Index 435

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Book SynopsisA Course in Luminescence Measurements and Analyses for Radiation Dosimetry A complete approach to the three key techniques in luminescence dosimetry In A Course in Luminescence Measurements and Analyses for Radiation Dosimetry, expert researcher Stephen McKeever delivers a holistic and comprehensive exploration of the three main luminescence techniques used in radiation dosimetry: thermoluminescence, optically stimulated luminescence, and radiophotoluminescence. The author demonstrates how the three techniques are related to one another and how they compare to each other. Throughout, the author's focus is on pedagogy, including state-of-the-art research only where it is relevant to demonstrate a key principle or where it reveals a critical insight into physical mechanisms. The primary purpose of the book is to teach beginning researchers about the three aforementioned techniques, their similarities and distinctions, and their applications. A Course Table of ContentsPreface xiii Acknowledgments xvii Disclaimer xviii About the Companion Website xix Part I Theory, Models, and Simulations 1 1 Introduction 3 1.1 How Did We Get Here? 3 1.2 Introductory Concepts for TL, OSL, and RPL 7 1.2.1 Equilibrium and Metastable States 7 1.2.2 Fermi-Dirac Statistics 8 1.2.3 Related Processes 10 1.3 Brief Overview of Modern Applications in Radiation Dosimetry 12 1.3.1 Personal Dosimetry 13 1.3.2 Medical Dosimetry 14 1.3.3 Space Dosimetry 15 1.3.4 Retrospective Dosimetry 16 1.3.5 Environmental Dosimetry 18 1.4 Bibliography of Luminescence Dosimetry Applications 18 2 Defects and Their Relation to Luminescence 19 2.1 Defects in Solids 19 2.1.1 Point Defects 19 2.1.2 Extended Defects 23 2.1.3 Non-Crystalline Materials 23 2.2 Trapping, Detrapping, and Recombination Processes 24 2.2.1 Excitation Probabilities 24 2.2.1.1 Thermal Excitation 24 2.2.1.2 Optical Excitation 28 2.2.2 Trapping and Recombination Processes 31 3 TL and OSL: Models and Kinetics 35 3.1 Rate Equations: OTOR Model 35 3.2 Analytical Solutions: TL Equations 38 3.2.1 First-Order Kinetics 38 3.2.2 Second-Order and General-Order Kinetics 41 3.2.3 Mixed-Order Kinetics 46 3.3 Analytical Solutions: OSL Equations 49 3.3.1 First-Order Kinetics 51 3.3.1.1 Expressions for CW-OSL 51 3.3.1.2 Expressions for LM-OSL 51 3.3.1.3 Expressions for POSL 52 3.3.1.4 Expressions for VE-OSL 54 3.3.2 Non-First-Order Kinetics 57 3.4 More Complex Models: Interactive Kinetics 57 3.4.1 Thermoluminescence 57 3.4.2 Optically Stimulated Luminescence 65 3.5 Trap Distributions 68 3.6 Quasi-Equilibrium (QE) 75 3.6.1 Numerical Solutions: No QE Assumption 75 3.6.2 P and Q Analysis 75 3.6.3 Analytical Solutions: No QE Assumption 78 3.7 Thermal and Optical Effects 81 3.7.1 Thermal Quenching 82 3.7.1.1 Mott-Seitz Model 82 3.7.1.2 Schön-Klasens Model 85 3.7.1.3 Tests for Thermal Quenching 87 3.7.2 Thermal Effects on OSL 89 3.7.2.1 Effects of Shallow Traps 89 3.7.2.2 Effects of Deep Traps: Thermally Transferred OSL (TT-OSL) 91 3.7.3 More Temperature Effects for TL and OSL 92 3.7.3.1 Phonon-coupling 93 3.7.3.2 Shallow Traps 93 3.7.3.3 Sub-Conduction Band Excitation 93 3.7.3.4 Random Local Potential Fluctuations (RLPF) 95 3.7.4 Optical Effects on TL 96 3.7.4.1 Bleaching 96 3.7.4.2 Phototransferred TL (PTTL) 101 3.8 Tunneling, Localized and Semi-Localized Transitions 104 3.8.1 Tunneling 106 3.8.1.1 General Considerations 106 3.8.1.2 Ground-State Tunneling 107 3.8.1.3 Excited-State Tunneling 110 3.8.1.4 Decay during Irradiation 113 3.8.1.5 Effect of Tunneling on TL and OSL 113 3.8.2 Localized and Semi-localized Transition Models 115 3.8.2.1 Localized Transition Model 115 3.8.2.2 Semi-Localized Transition Model 116 3.8.2.3 Semi-Localized Transitions and the TL Glow Curve 122 3.9 Master Equations 123 4 RPL: Models and Kinetics 125 4.1 Radiophotoluminescence and Its Differences with TL and OSL 125 4.2 Background Considerations 125 4.3 Buildup Kinetics 128 4.3.1 Electronic Processes 128 4.3.2 Ionic Processes 130 4.3.3 More on Buildup Processes 134 4.3.3.1 After Irradiation 134 4.3.3.2 During Irradiation 135 4.3.3.3 Temperature Dependence 135 5 Analysis of TL and OSL Curves 139 5.1 Analysis of TL Glow Curves 139 5.2 Analytical Methods for TL 140 5.2.1 Partial-Peak Methods 140 5.2.1.1 A Single TL Peak with a Discrete Value for E t 140 5.2.1.2 Multiple Overlapping Peaks, and Trap Energy Distributions143 5.2.2 Whole-Peak Methods 150 5.2.3 Peak-Shape Methods 153 5.2.4 Peak-Position Methods 155 5.2.5 Peak-Fitting Methods 159 5.2.5.1 Principles 159 5.2.5.2 Peak Resolution 162 5.2.5.3 CGCD Using More-Than-One Heating Rate 163 5.2.5.4 Continuous Trap Distributions 166 5.2.6 Calculation of s169 5.2.7 Potential Distortions to TL Glow Curves 169 5.2.7.1 Thermal Contact 170 5.2.7.2 Thermal Quenching 171 5.2.7.3 Emission Spectra 171 5.2.7.4 Self-Absorption 175 5.2.8 Summary of Steps to Take using TL Curve Fitting 176 5.2.9 Isothermal Analysis 177 5.3 Analytical Methods for OSL 180 5.3.1 Curve-Shape Methods 180 5.3.1.1 Cw-osl 180 5.3.1.2 Lm-osl 181 5.3.2 Variable Stimulation Rate Methods: LM-OSL 181 5.3.3 Curve-Fitting Methods 184 5.3.3.1 The Curve Overlap Problem 184 5.3.3.2 Simultaneous Fitting of LM-OSL Peaks Generated by Varying the Stimulation Rate 186 5.3.4 How Can the Number of Traps Contributing to OSL Be Determined? 187 5.3.4.1 t max -t stop Analysis 187 5.3.4.2 Comparison with TL 188 5.3.5 Variation with Stimulation Wavelength 188 5.3.6 Trap Distributions 189 5.3.7 Emission Wavelength 192 5.3.8 Summary of Steps to Take using OSL Curve Fitting 193 5.3.9 OSL due to Optically Assisted Tunneling 193 5.3.10 Ve-osl 195 6 Dependence on Dose 197 6.1 TL, OSL, or RPL versus Dose 197 6.2 Dependence on Dose 197 6.2.1 OTOR Model 197 6.2.1.1 Dose-Response Relationships: Linear, Supralinear, Superlinear, and Sublinear 199 6.2.2 Interactive Models: Competition effects 203 6.2.2.1 Competition during Irradiation 203 6.2.2.2 Competition during Trap Emptying 204 6.2.3 Spatial Effects 208 6.2.4 Sensitivity and Sensitization 212 6.2.5 High Dose Effects 213 6.2.5.1 Loss of Sensitivity 213 6.2.5.2 TL and OSL Changes in Shape 215 6.2.6 Charged Particles, Tracks, and Track Interaction 216 6.2.6.1 Dose and Fluence Dependence: Low Fluence 218 6.2.6.2 High Fluence: Track Interaction 220 6.2.7 Rpl 225 6.2.7.1 Buildup during Irradiation: A Special Kind of Supralinearity 225 6.2.7.2 Buildup after Irradiation: Linear Response to Dose 227 Part II Experimental Examples: Luminescence Dosimetry Materials 229 7 Thermoluminescence 231 7.1 Introduction 231 7.2 Lithium Fluoride 232 7.2.1 LiF:Mg,Ti 232 7.2.1.1 Structure and Defects 232 7.2.1.2 TL Glow Curves 233 7.2.1.3 TL Emission Spectra 238 7.2.1.4 TL Glow-Curve Analysis 239 7.2.1.5 Changes to the Glow-Curve Shape with Dose and Ionization Density 241 7.2.1.6 Competition 248 7.2.1.7 Photon Dose-Response Characteristics 250 7.2.1.8 Charged-Particle Dose-Response Characteristics 252 7.2.2 LiF:MCP 254 7.2.2.1 Structure and Defects 254 7.2.2.2 TL Glow Curves 255 7.2.2.3 TL Emission Spectra 256 7.2.2.4 TL Glow-Curve Analysis 258 7.2.2.5 Changes to the Glow-Curve Shape with Dose and Ionization Density 259 7.2.2.6 Photon Dose-Response Characteristics 261 7.2.2.7 Charged-Particle Dose-Response Characteristics 262 7.2.3 Approximately Right; Precisely Wrong 263 8 Optically Stimulated Luminescence 267 8.1 Introduction 267 8.2 Aluminum Oxide 268 8.2.1 Al2O3 :C 268 8.2.1.1 Structure and Defects 268 8.2.1.2 OSL Curves 269 8.2.1.3 Emission and Excitation Spectra 270 8.2.1.4 Temperature Dependence 277 8.2.1.5 Photon Dose-Response Characteristics 277 8.2.1.6 Charged-Particle Dose-Response Characteristics 280 8.2.2 A Final Observation 285 9 Radiophotoluminescence 287 9.1 Introduction 287 9.2 Phosphate Glass 287 9.2.1 Ag-doped Phosphate Glass 287 9.2.1.1 Formulation, Growth, and RPL Centers 287 9.2.1.2 Emission and Excitation Spectra: RPL Decay Curves and Signal Measurement 290 9.2.1.3 Buildup Curves: Temperature Dependence; UV Reversal 294 9.2.1.4 Photon Dose-Response Characteristics 298 9.2.1.5 Charged-Particle Dose-Response Characteristics 302 9.2.2 Final Remarks Concerning RPL from Ag-doped Phosphate Glass 305 9.3 Fluorescent Nuclear Track Detectors 305 9.3.1 Al2O3 :C,Mg 305 9.3.1.1 Introduction 305 9.3.1.2 RPL in Al2O3 :C,Mg 305 9.3.1.3 FNTD Imaging of Charged-Particle Tracks 307 9.3.1.4 FNTD for Neutron Detection 310 9.3.2 LiF 312 9.3.2.1 RPL in LiF 312 9.3.2.2 Fntd 313 9.3.3 Alkali Phosphate Glass 315 9.3.3.1 Fntd 315 10 Some Examples of More Complex TL, OSL, and RPL Phenomena: The Aluminosilicates 317 10.1 Introduction 317 10.2 Feldspar 318 10.2.1 Structure and Defects 318 10.2.2 Energy Levels and Density of States 319 10.2.3 Emission Spectra 321 10.2.4 OSL Phenomena 321 10.2.4.1 Band Diagram 321 10.2.4.2 OSL Excitation Spectra 322 10.2.4.3 OSL Curve Description 324 10.2.5 TL Phenomena 330 10.2.5.1 Glow-Curve Description 330 10.2.5.2 TL Analysis 332 10.2.6 RPL Phenomena 335 10.2.6.1 RPL Emission and Excitation Spectra 335 10.2.6.2 RPL Temperature Dependence 336 10.2.7 What Can Be Concluded? 337 10.3 Aluminosilicate Glass 338 10.3.1 Structure and Composition 339 10.3.2 OSL Phenomena 340 10.3.2.1 OSL Curve Description 340 10.3.2.2 OSL Excitation Spectrum 342 10.3.2.3 OSL Fading 344 10.3.2.4 Potential Uses in Radiation Dosimetry 345 10.3.3 TL Phenomena 346 10.3.3.1 Glow-Curve Description 346 10.3.3.2 TL Emission Spectrum 349 10.3.3.3 TL Analysis 349 10.3.3.4 TL Fading 351 10.3.3.5 Potential Uses in Radiation Dosimetry 352 10.4 Final Remarks 352 11 Concluding Remarks: The Possibilities for Imperfection Engineering 355 11.1 The Importance of Defects 355 11.1.1 The Ideal Luminescence Dosimeter 355 11.1.2 How to Detect Defect Clustering and Tunneling 358 11.1.2.1 E t and s Analysis 358 11.1.2.2 TL and OSL Curve Shapes 358 11.1.2.3 Fading 359 11.1.2.4 Spectral Measurements 359 11.2 The Prospects for “Designer” TLDs, OSLDs, and RPLDs 360 References 361 Index 381

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Book SynopsisLearn to model your own problems for predicting the properties of polymer-based composites Mechanics of Particle- and Fiber-Reinforced Polymer Nanocomposites: Nanoscale to Continuum Simulations provides readers with a thorough and up-to-date overview of nano, micro, and continuum approaches for the multiscale modeling of polymer-based composites. Covering nanocomposite development, theoretical models, and common simulation methods, the text includes a variety of case studies and scripting tutorials that enable readers to apply and further develop the supplied simulations. The book describes the foundations of molecular dynamics and continuum mechanics methods, guides readers through the basic steps required for multiscale modeling of any material, and correlates the results between the experimental and theoretical work performed. Focused primarily on nanocomposites, the methods covered in the book are applicable to various other materials such as carbon nTable of ContentsPreface xiii Biography xvi 1 Introduction 1 1.1 Nanoparticle-Reinforced Composites 2 1.2 Nanoplatelet-Reinforced Composites 3 1.3 Nanofiber-Reinforced Composites 3 1.4 Carbon Nanotube-Reinforced Composites 4 1.5 Nanomaterials 5 1.5.1 Woven Fabric 8 1.5.2 Fibers 12 1.5.3 Types of Fibers 15 1.5.4 Boron Fiber 16 1.5.5 Carbon Fiber 17 1.5.5.1 Fabrication of C Fiber Using PAN 17 1.5.5.2 Fabrication of C Fiber Using Pitch 19 1.5.6 Glass Fiber 20 1.5.7 Aramid (Kevlar) Fiber 22 1.5.8 Matrices 24 1.5.8.1 Polymer Matrix Composite 24 1.5.8.2 Metal Matrix Composites 25 1.5.8.3 Ceramic Matrix Composites 25 1.6 Manufacturing Methods 26 1.6.1 Polymer Matrix Composites 26 1.6.1.1 Thermoset Matrix Composites 26 1.6.1.2 Thermoplastic Matrix Composites 36 1.6.2 Metal-Matrix Composites 38 1.6.2.1 Liquid-State Processes 38 1.6.2.2 Solid-State Processes 43 1.6.2.3 In Situ Processes 47 1.6.3 Ceramic Matrix Composites 47 1.6.3.1 Cold Pressing and Sintering 47 1.6.3.2 Hot Pressing 48 1.6.3.3 Reaction Bonding 49 1.6.3.4 Infiltration 50 1.6.3.5 Polymer Infiltration and Pyrolysis 51 References 54 2 Literature Review of Different Modeling Methods 55 2.1 Material Development 55 2.2 Nanostructured Materials 56 2.3 Methods of Modeling 58 2.3.1 Atomistic, Molecular Methods 59 2.3.2 Coarse Grain Methods 60 2.3.3 Continuum Methods 62 2.3.4 Effective Continuum Approach 63 2.4 Literature Review of Different Methods of Modeling 64 2.4.1 Micromechanics/FEM 64 2.4.2 Effective Continuum 72 2.4.3 Molecular Dynamics 73 2.5 Conclusion 76 References 77 3 Modeling of Nanocomposites 83 3.1 Notation 84 3.2 Average Properties 85 3.3 Theoretical Models 86 3.3.1 Cox Shear Lag Model 87 3.3.2 Eshelby’s Equivalent Inclusion 91 3.3.3 Dilute Eshelby’s Model 93 3.3.4 Mori–Tanaka Model 94 3.3.5 Chow Model 98 3.3.6 Modified Halpin–Tsai or Finegan model 99 3.3.7 Hashin–Shtrikman Model 104 3.3.8 Lielens Model 106 3.3.9 Self-Consistent Model 106 3.3.10 Finite Element Modeling (FEM) 108 3.3.10.1 Introduction 108 3.3.10.2 Representative Volume Elements (RVEs) 109 3.3.10.3 Modeling for E11 112 3.3.10.4 Modeling for E22 117 3.3.10.5 Modeling for G23 123 3.3.10.6 Modeling for G31 127 3.3.10.7 Theoritical Formulation 132 3.3.10.8 Comparison of Results 132 3.4 Fast Fourier Transform Numerical Homogenization Methods 143 3.4.1 FFT-based Homogenization Method 145 3.4.2 Implementation of FFT-based Homogenization Method 148 3.5 Conclusion 149 References 150 4 Prediction of Mechanical Properties 155 4.1 Storage Moduli 155 4.1.1 Longitudinal Storage Modulus (E′11) 155 4.1.1.1 Variation of E′11 with Vf 155 4.1.1.2 Variation of E′11 with l/d 157 4.1.2 Transverse Storage Modulus (E′22) 159 4.1.2.1 Variation of E′22 with Vf 159 4.1.2.2 Variation of E′22 with l/d 161 4.1.3 Transverse Shear Storage Modulus (G′23) 163 4.1.3.1 Variation of G′23 with Vf 163 4.1.3.2 Variation of G′23 with l/d 164 4.1.4 Longitudinal Shear Storage Modulus (G′12) 166 4.1.4.1 Variation of G′12 with Vf 166 4.1.4.2 Variation of G′12 with l/d 168 4.2 Loss Factors 170 4.2.1 Longitudinal Loss Factor (𝜂11) 171 4.2.1.1 Variation of 𝜂11 with Vf 171 4.2.1.2 Variation of 𝜂11 with l/d 172 4.2.2 Transverse Loss Factor (𝜂22) 174 4.2.2.1 Variation of 𝜂22 with Vf 174 4.2.2.2 Variation of 𝜂22 with l/d 175 4.2.3 Transverse Shear Loss Factor (𝜂23) 178 4.2.3.1 Variation of 𝜂23 with Vf 178 4.2.3.2 Variation of 𝜂23 with l/d 181 4.2.4 Longitudinal Shear Loss Factor (𝜂12) 183 4.2.4.1 Variation of 𝜂12 with Vf 183 4.2.4.2 Variation of 𝜂12 with l/d 184 4.3 Conclusions 187 Reference 189 5 Experimental Work 191 5.1 Materials 191 5.2 Principles of DMA – Forced Nonresonance Technique 192 5.2.1 Terms and Definitions 192 5.2.2 Choice of Sample Geometry 193 5.2.3 Geometry Choice Guidelines 195 5.3 Experimental Procedure for Dual Cantilever Mode 195 5.4 Theoretical Formulations/Modeling 197 5.5 Results and Discussion 198 5.6 Conclusions 202 References 203 6 Molecular Dynamics Simulation 205 6.1 Molecular Dynamics 205 6.2 Monte Carlo Simulation 206 6.3 Brownian Dynamics 207 6.4 Dissipative Particle Dynamics 207 6.5 Lattice Boltzmann Method 208 6.6 Basic Concepts 208 6.6.1 Force Field 208 6.6.2 Potentials 214 6.6.2.1 Tersoff Model 216 6.6.2.2 Brenner Model 216 6.6.2.3 Morse Potential 217 6.6.2.4 Lennard–Jones Potential 218 6.6.3 Ensemble 219 6.6.4 Thermostat 220 6.6.4.1 Andersen’s Method 221 6.6.4.2 Berendsen Thermostat 221 6.6.4.3 Nosé–Hoover Thermostat 222 6.6.5 Boundary Conditions 224 6.6.5.1 Periodic Boundary Condition 224 6.6.5.2 Lees–Edwards Boundary Condition 225 6.7 Molecular Dynamics Methodology 225 6.7.1 Initial Positions 228 6.7.1.1 Spherical Systems 228 6.7.1.2 Nonspherical Systems 230 6.7.2 Initial Velocities 233 6.7.2.1 Spherical Systems 233 6.7.2.2 Nonspherical Systems 234 6.8 Molecular Potential Energy Surface 235 References 237 7 Molecular Dynamics Simulation-Case Studies 239 7.1 Carbon Nanofiber–Reinforced Polymer Composites 239 7.1.1 Molecular Modeling of CNF and CNF/PP Composites 242 7.1.2 Modeling of CNFs 243 7.1.3 Modeling of CNF–PP Composites 243 7.1.4 Damping in CNF–PP Composites 247 7.1.5 Results and Discussion 248 7.1.5.1 Elastic Moduli 248 7.1.5.2 Damping 253 7.1.6 Conclusions 256 7.2 Silica Nanoparticle/Hydroxyapatite Fiber Reinforced bis-GMA/TEGDMA Composites 256 7.2.1 Molecular Dynamics Methodology 259 7.2.1.1 Molecular Models of Unfilled Polymers 259 7.2.1.2 Molecular Models of Filled Polymer Composites 259 7.2.1.3 MD Methodology 259 7.2.2 Results and Discussion 263 7.2.2.1 Chain Configuration 263 7.2.2.2 Effect of Hydrogen Bonding 263 7.2.2.3 Prediction of Mechanical Properties 267 7.2.2.4 Coefficient of Diffusion 269 7.2.3 Conclusion 272 References 274 8 Coupling of Scales-Continuum Mechanics and Molecular Dynamics 279 8.1 Introduction 279 8.2 Structural Mechanics Review 280 8.3 Carbon Nanotubes: Structural Mechanics Approach 282 8.4 Stiffness Parameters and Force Field Constants: Linkage 285 8.5 Young’s Modulus of Graphene and CNT 286 8.5.1 Modeling of Polymer Matrix 292 8.6 Modeling of CNT/Polymer Interface 292 8.7 Elastic Buckling of CNT/Polymer Composite 294 8.8 Conclusions 296 References 296 9 Conclusions and Future Scope 299 Index 301

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Book SynopsisSmart Nanotextiles Wearable and Technical Applications This groundbreaking book comprehensively reviews the utilization of smart nanotextiles in various application areas by referring to requirements specific to various application fields, sharing the findings of some of the latest research efforts and state-of-art smart nanotextiles technologies, as well as providing insights relating to challenges and opportunities facing current and future smart nanotextiles. This book covers the emerging and exciting field of nanotextiles and their many applications. Smart nanotextiles form a novel group of materials that are utilized/can be utilized in an array of application areas, such as biomedicine (health monitoring, controlled drug release; wound care, and regenerative medicine), communication, sports, fashion, energy harvesting, protection, filtration, civil and geotechnical engineering, transportation, and so on, including wearable and technical fields. WhereaTable of ContentsPreface xv Section 1: Introduction 1 1 Smart Nanotextiles Applications: A General Overview 3 Nazire Deniz Yilmaz 1.1 Introduction 4 1.2 Textiles 7 1.2.1 Brief History of Smart Nanotextiles 8 1.2.2 Terminology 10 1.2.3 Classification 10 1.3 Nanotechnology and Nanomaterials 12 1.3.1 Nanomaterials 12 1.3.2 Nanocomposites 15 1.4 Materials Selection 16 1.4.1 Stretchability 16 1.4.2 Permeability 17 1.4.3 Self-Healing 17 1.4.4 Biocompatibility 18 1.4.5 Conductivity 18 1.4.6 Scalability 19 1.4.7 Energy Autonomy 19 1.4.8 Cost Efficiency 19 1.5 Sensors 19 1.5.1 Strain Sensing 20 1.5.2 Tactile Sensing 21 1.5.3 Temperature Sensing 21 1.5.4 Electrochemical Sensing 21 1.5.5 Humidity Sensing 21 1.5.6 Photo Sensing 22 1.5.7 Gas Sensing 22 1.5.8 Multisensing 22 1.5.9 Disposable Sensors 23 1.6 Application Areas of Smart Nanotextiles 23 1.6.1 Medicine and Healthcare 24 1.6.1.1 Health Monitoring 25 1.6.1.2 Drug Delivery 32 1.6.1.3 Wound Care 35 1.6.2 Everyday Applications of Smart Nanotextiles 39 1.6.2.1 Communication 39 1.6.2.2 Sports 43 1.6.2.3 Fashion and Aesthetics 45 1.6.2.4 Energy Harvesting 47 1.6.3 Technical Applications of Smart Nanotextiles 53 1.6.3.1 Protection and Defense 53 1.6.3.2 Filtration Applications 55 1.6.3.3 Civil and Geotechnical Engineering Applications 58 1.6.3.4 Transportation Applications 62 1.7 Risks and Opportunities 64 1.8 Conclusion 69 References 70 Section 2: Smart Nanotextiles for Medicine and Healthcare 87 2 Smart Nanotextiles for Wearable Health Monitoring 89 Shanshan Yao, Shuang Wu and Yong Zhu 2.1 Introduction 90 2.2 (Bio)Physical Monitoring 102 2.2.1 Body Temperature 102 2.2.2 Biopotential Signals 106 2.2.3 Blood Pulse 108 2.2.4 Blood Pressure 110 2.2.5 Respiration Rate 112 2.3 (Bio)Chemical Monitoring 114 2.3.1 Biofluids 114 2.3.2 Breath and Body Odor 117 2.4 Multimodal Monitoring 119 2.4.1 Multimodal Monitoring of Physical Biomarkers 119 2.4.2 Multimodal Monitoring of Physical and Chemical Biomarkers 122 2.5 Conclusions and Future Remarks 123 Acknowledgments 124 References 124 3 Smart Nanotextiles for Controlled and Targeted Drug Release 135 Rauf Mahmudzade, Caroline Werther, Dilip Depan and Raj Pal Singh 3.1 Nanomaterials and Drug Delivery Systems 136 3.2 Graphene: Properties and Applications in Biomedicine 137 3.3 Toxicity Studies of Graphene-Based Nanomaterials 139 3.3.1 Pristine Graphene 140 3.3.2 Graphene Oxide 141 3.4 Graphene Quantum Dots: Properties and Potential in Theranostics 142 3.4.1 Biological Properties of Graphene Quantum Dots 144 3.4.2 Optical Properties of Graphene Quantum Dots 145 3.4.3 Therapeutic Applications of Graphene Quantum Dots 146 3.4.4 Imaging Applications of Graphene Quantum Dots 148 3.5 Conclusion and Final Remarks 150 Acknowledgments 151 References 151 4 Smart Nanotextiles for Wound Care and Regenerative Medicine 159 Sadiya Anjum, Rashid Ilmi and Imran Khan 4.1 Introduction 159 4.2 Nanotextiles in Healthcare Materials 162 4.2.1 Nanotextiles in Wound Dressing 162 4.2.1.1 Herbal Extract–Loaded Nanofibers 163 4.2.1.2 Natural Products 165 4.2.1.3 Antibiotics 167 4.2.1.4 Nanoparticles (NPs) 169 4.2.2 Suture Materials 170 4.2.3 Tissue Engineering and Regeneration 174 4.2.3.1 Skin Tissue Engineering 174 4.3 Conclusions and Future Perspectives 179 References 180 Section 3: Smart Nanotextiles for Everyday’s Life 189 5 Smart Nanotextiles for Communication 191 Isidoro Ibanez-Labiano, Syeda Fizzah Jilani, Ronald Rui Zhang, Elif Ozden-Yenigun and Akram Alomainy 5.1 Introduction 192 5.1.1 Nanocommunications 193 5.1.2 Smart Textiles Communications 195 5.2 Textile Wearable Devices 196 5.2.1 Nanoengineered Textile Antennas and Their Applications: Nanoparticles on Textiles 196 5.2.1.1 Characteristics of Metallic Inks and Fibers 197 5.2.1.2 Characteristics of Nonmetallic Carbon-Based Inks and Fibers 197 5.2.2 Integration Processes for Smart Nanotextiles (Metallic and Nonmetallic Materials) 198 5.2.3 Smart Textile Antennas 198 5.2.3.1 Graphene-Soft Antenna 198 5.2.3.2 Inkjet-Printed Millimeter Wave PET-Based Flexible Antenna 203 5.2.3.3 Tera-Hertz Wearable Antenna 209 5.3 Nanoscale Body-Centric Communications 211 5.3.1 Terahertz Wave Propagation for In Vivo Nanonetworks 212 5.3.1.1 Theoretical and Analytical Considerations 212 5.3.1.2 Molecular Absorption 213 5.3.1.3 Path Loss 214 5.3.2 Molecular Absorption Noise Model 216 5.3.2.1 Free Space Scenario 216 5.3.2.2 In Vivo Scenario 218 5.4 Challenges and Future Prospects 221 5.5 Conclusion 222 Acknowledgment 223 References 223 6 Smart Nanotextiles for Sports 229 Tim Smith, James Lee and Daniel A. James 6.1 Introduction 230 6.2 Trends 231 6.2.1 Wearable Technology 231 6.2.2 Convergence 232 6.2.3 Mass Market Driving Down Costs 232 6.2.4 Miniaturization 233 6.3 Textile Innovation 233 6.3.1 Passive 235 6.3.2 Active 235 6.3.3 Smart Technologies 236 6.4 Enabling Technologies 237 6.4.1 Microsystems 237 6.4.2 Power Systems 237 6.4.3 Where is the Market Now? 238 6.5 Discussion and Conclusions 244 References 245 7 Smart Nanotextiles for Fashion and Aesthetics 249 Mei Yu Yao, Jennifer Xiaopei Wu and li li 7.1 Introduction 249 7.2 Smart Textiles for Fashion and Aesthetics 250 7.3 Nanotechnology in Smart Textiles 252 7.3.1 Enhancing Durability and Functions of Textiles 252 7.3.2 Electrical Conductivity 253 7.4 Examples of Smart Nanotextiles on Mainstream Fashion 255 7.4.1 Hygiene and Protection 255 7.4.2 Connectivity 257 7.4.3 Sustainability 257 7.5 Challenges for Smart Textiles with Nanomaterials 258 7.6 Future Trends of Smart Nanotextiles 259 7.6.1 Wearable Energy Storage Devices and Regenerative Energy 259 7.6.2 Technology of Artificial Intelligence (AI) 259 7.6.3 3D Printing Technology 260 References 260 8 Smart Nanotextiles for Energy Generation 265 Jiaqing Xiong and Pooi See Lee 8.1 Introduction 266 8.2 Textiles Nanogenerators 267 8.2.1 Thermoelectric Fibers/Textiles 267 8.2.2 Piezoelectric Fibers/Textiles 268 8.2.3 Triboelectric Fibers/Textiles 269 8.3 Progress and Application of Textile Nanogenerators 270 8.3.1 Thermoelectric Generators 270 8.3.1.1 Thermoelectric Generator for Energy Harvesting 271 8.3.1.2 Thermoelectric Generator for Self-Powered Sensing 274 8.3.2 Piezoelectric Nanogenerators 275 8.3.2.1 Inorganic Material–Based Piezoelectric Fibers/Textiles 276 8.3.2.2 Polymer-Based Piezoelectric Fibers/ Textiles 278 8.3.2.3 Structure Modification for Piezoelectricity Enhancement 279 8.3.2.4 Active Component Modification for Piezoelectricity Enhancement 280 8.3.2.5 Applications and Challenges of Piezoelectric Fibers/Textiles 281 8.3.3 Triboelectric Nanogenerators 282 8.3.3.1 Fiber/Textile-Based Power Sources 283 8.3.3.2 Fiber/Textile-Based Self-Powered Wearable Systems 285 8.3.3.3 Applications and Challenges of Triboelectric Fibers/Textiles 288 8.4 Hybrid Devices for Energy Harvesting and Storage 292 8.5 Conclusions and Prospects 294 References 295 Section 4: Smart Nanotextiles for Industrial Applications 311 9 Smart Nanotextiles for Protection and Defense 313 Unsanhame Mawkhlieng and Abhijit Majumdar 9.1 Introduction 313 9.2 Protective Textiles 316 9.2.1 UV Protection 316 9.2.2 Protection Against Bacteria 320 9.2.2.1 Types of Antibacterial Materials 321 9.2.2.2 Inorganic Nanomaterials Used for Antibacterial Activity 322 9.2.3 Flame Protection 325 9.2.3.1 Inorganic Nanomaterials for Flame Retardancy 325 9.2.4 Extreme Cold Protection 327 9.2.5 Nuclear Biological and Chemical (NBC) Suits/Hazmat Suits 329 9.2.6 Ballistic Protection 330 9.3 Conclusion 332 References 333 10 Smart Nanotextiles for Filtration 341 Mohd Yusuf and Amit Madhu 10.1 Introduction 341 10.2 Process of Filtration and Properties of Filter Media 343 10.3 Operating Parameters of Filtration 348 10.4 Applications of Smart Nanotextiles in Filtration 350 10.4.1 Contaminants and Heavy Metal Ions Removal from Water Systems 350 10.4.2 Smart Air Filter 351 10.4.3 COVID-19 Scenario: Protective Face Masks 352 10.4.4 Oil Removal Applications 354 10.4.5 Conclusions and Future Outlook 355 References 355 11 Nanotextiles in Civil and Geotechnical Engineering 359 A. F. M. Fahad Halim, Nazia Nourin Moury and Mohammad Tajul Islam 11.1 Introduction 359 11.2 Geosynthetics 362 11.2.1 Properties of Geosynthetics 362 11.2.1.1 Physical Properties 363 11.2.1.2 Mechanical Properties 363 11.2.1.3 Hydraulic Properties 364 11.2.1.4 Durability Properties 364 11.2.1.5 Degradation 364 11.2.2 Types of Geosynthetics Used in Civil and Geotechnical Engineering 365 11.2.2.1 Green Geosynthetics 365 11.2.2.2 Composite Geosynthetics 366 11.2.2.3 Smart and Active Geosynthetics 367 11.3 Common Traditional Applications of Geosynthetics in Civil and Geotechnical Engineering 368 11.3.1 Managing Shoreline Changes as a Result of Rising Sea Levels 368 11.3.2 Reinforcement of Unpaved Roads 369 11.3.3 Geosynthetic-Reinforced Soils Above Voids 369 11.3.4 Development of Dune Sand 370 11.3.5 Geotextile-Reinforced Slope Subject to Drawdown 370 11.4 Nanomaterial Application to Geosynthetics for Civil and Geotechnical Engineering 371 11.4.1 Fiber Optical Nanosensors for Temperature/ Strain Sensing 374 11.4.2 Carbon Nanofibers Aggregate Sensors 376 11.4.3 Nanoporous Thermal Insulation (NTI) 376 11.4.4 Phase-Change Materials 378 11.4.5 Nanoclay Polymer Composites 379 11.4.6 Thermochromic Roof System 380 11.4.7 Smart Houses, Smart Roads, and Smart Cities 381 11.5 Conclusion 384 References 384 12 Smart Nanotextiles for Transportation 391 Cédric Cochrane and Francois Boussu 12.1 Introduction 392 12.2 Sensor Yarns for Composite Materials 395 12.2.1 Optical Fiber Sensors 395 12.2.2 Fibrous Sensors 396 12.2.3 Matrix of Sensors 400 12.3 Development and Application of Various Fibrous Sensor Yarns 401 12.3.1 Piezo-Resistive Sensors Coated on Fabric 402 12.3.2 Fibrous Sensors Made From Continuous Yarns 403 12.3.3 Design and Production of Sensor Yarns 403 12.3.3.1 Calibration of Sensor Yarns 404 12.3.3.2 Manufacturing of 3D Fabric With Sensor Yarns 406 12.3.3.3 Composite Manufacturing Process of 3D Fabrics With Embedded Sensor Yarns 406 12.3.3.4 Quasi-Static Characterization and Monitoring of Composite Material 408 12.3.4 Fibrous Sensors Made From Commingled Yarns 413 12.3.4.1 Design and Production of Sensor Yarns 413 12.3.4.2 Calibration of Sensor Yarn 416 12.3.4.3 Forming of 3D Fabrics With Embedded Sensor Yarns for Monitoring 418 12.4 Discussion 422 12.5 Conclusion, Perspectives and Suggestions of Future Works 425 References 426 Index 431

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Book SynopsisEver since the discovery of graphene, two-dimensional layered materials (2DLMs) have been the central tool of the materials research community. The reason behind their importance is their superlative and unique electronic, optical, physical, chemical and mechanical properties in layered form rather than in bulk form. The 2DLMs have been applied to electronics, catalysis, energy, environment, and biomedical applications. The following topics are discussed in the book's fifteen chapters:The research status of the 2D metal-organic frameworks and the different techniques used to synthesize them. 2D black phosphorus (BP) and its practical application in various fields. Reviews the synthesis methods of MXenes and provides a detailed discussion of their structural characterization and physical, electrochemical and optical properties, as well as applications in catalysis, energy storage, environmental management, biomedicine, and gas sensing. The carbon-based materials and their potentTable of ContentsPreface xv 1 2D Metal-Organic Frameworks 1Fengxian Cao, Jian Chen, Qixun Xia and Xinglai Zhang 1.1 Introduction 1 1.2 Synthesis Approaches 2 1.2.1 Selection of Synthetic Raw Materials 3 1.2.2 Solvent Volatility Method 4 1.2.3 Diffusion Method 4 1.2.3.1 Gas Phase Diffusion 4 1.2.3.2 Liquid Phase Diffusion 4 1.2.4 Sol-Gel Method 5 1.2.5 Hydrothermal/Solvothermal Synthesis Method 6 1.2.6 Stripping Method 6 1.2.7 Microwave Synthesis Method 8 1.2.8 Self-Assembly 9 1.2.9 Special Interface Synthesis Method 9 1.2.10 Surfactant-Assisted Synthesis Method 10 1.2.11 Ultrasonic Synthesis 10 1.3 Structures, Properties, and Applications 11 1.3.1 Structure and Properties of MOFs 11 1.3.2 Application in Biomedicine 12 1.3.3 Application in Gas Storage 12 1.3.4 Application in Sensors 13 1.3.5 Application in Chemical Separation 13 1.3.6 Application in Catalysis 14 1.3.7 Application in Gas Adsorption 14 1.4 Summary and Outlook 15 Acknowledgements 16 References 16 2 2D Black Phosphorus 21Chenguang Duan, Hui Qiao, Zongyut Huang and Xiang Qi 2.1 Introduction 22 2.2 The Research on Black Phosphorus 23 2.2.1 The Structure and Properties 23 2.2.1.1 The Structure of Black Phosphorus 25 2.2.1.2 The Properties of Black Phosphorus 25 2.2.2 Preparation Methods 26 2.2.2.1 Mechanical Exfoliation 28 2.2.2.2 Liquid-Phase Exfoliation 28 2.2.3 Antioxidant 30 2.2.3.1 Degradation Mechanism 30 2.2.3.2 Adding Protective Layer 31 2.2.3.3 Chemical Modification 31 2.2.3.4 Doping 33 2.3 Applications of Black Phosphorus 33 2.3.1 Electronic and Optoelectronic 34 2.3.1.1 Field-Effect Transistors 34 2.3.1.2 Photodetector 35 2.3.2 Energy Storage and Conversion 36 2.3.2.1 Catalysis 36 2.3.2.2 Batteries 37 2.3.2.3 Supercapacitor 38 2.3.3 Biomedical 39 2.4 Conclusion and Outlook 40 Acknowledgements 41 References 41 3 2D Metal Carbides 47Peiran Hou, Xinxin Fu, Qixun Xia and Zhengpeng Yang 3.1 Introduction 47 3.2 Synthesis Approaches 48 3.2.1 Ti3C2 Synthesis 48 3.2.2 V2C Synthesis 50 3.2.3 Ti2C Synthesis 50 3.2.4 Mo2C Synthesis 51 3.3 Structures, Properties, and Applications 52 3.3.1 Structures and Properties of 2D Metal Carbides 52 3.3.1.1 Structures and Properties of Ti3C2 52 3.3.1.2 Structural Properties of Ti2C 53 3.3.1.3 Structural Properties of Mo2C 53 3.3.1.4 Structural Properties of V2C 54 3.3.2 Carbide Materials in Energy Storage Applications 55 3.3.2.1 Ti3C2 56 3.3.2.2 Ti2C 57 3.3.2.3 V2C 58 3.3.2.4 Mo2C 58 3.3.3 Metal Carbide Materials in Catalysis Applications 60 3.3.3.1 Ti3C2 60 3.3.3.2 V2C 61 3.3.3.3 Mo2C 62 3.3.4 Metal Carbide Materials in Environmental Management Applications 63 3.3.4.1 Ti3C2 in Environmental Management Applications 63 3.3.4.2 Ti2C in Environmental Management Applications 64 3.3.4.3 V2C in Environmental Management Applications 64 3.3.4.4 Mo2C in Environmental Management Applications 65 3.3.5 Carbide Materials in Biomedicine Applications 66 3.3.5.1 Ti3C2 in Biomedicine Applications 66 3.3.5.2 Ti2C in Biomedicine Applications 66 3.3.5.3 V2C in Biomedicine Applications 68 3.3.5.4 Mo2C in Biomedicine Applications 68 3.3.6 Carbide Materials in Gas Sensing Applications 69 3.3.6.1 Ti3C2 in Gas Sensing Applications 69 3.3.6.2 Ti2C in Gas Sensing Applications 69 3.3.6.3 V2C in Gas Sensing Applications 70 3.3.6.4 Mo2C in Gas Sensing Applications 71 3.4 Summary and Outlook 72 Acknowledgements 72 References 73 4 2D Carbon Materials as Photocatalysts 79Amel Boudjemaa 4.1 Introduction 79 4.2 Carbon Nanostructured-Based Materials 80 4.2.1 Forms of Carbon 80 4.2.2 Synthesis of Carbon Nanostructured-Based Materials 80 4.3 Photo-Degradation of Organic Pollutants 81 4.3.1 Graphene, Graphene Oxide, Graphene Nitride (g-C3N4) 81 4.3.1.1 Graphene-Based Materials 82 4.3.1.2 Graphene Nitride (g-C3N4) 84 4.3.2 Carbon Dots (CDs) 87 4.3.3 Carbon Spheres (CSs) 87 4.4 Carbon-Based Materials for Hydrogen Production 88 4.5 Carbon-Based Materials for CO2 Reduction 90 References 90 5 Sensitivity Analysis of Surface Plasmon Resonance Biosensor Based on Heterostructure of 2D BlueP/MoS2 and MXene 103Sarika Pal, Narendra Pal, Y.K. Prajapati and J.P. Saini 5.1 Introduction 104 5.2 Proposed SPR Sensor, Design Considerations, and Modeling 107 5.2.1 SPR Sensor and Its Sensing Principle 107 5.2.2 Design Consideration 108 5.2.2.1 Layer 1: Prism for Light Coupling 108 5.2.2.2 Layer 2: Metal Layer 109 5.2.2.3 Layer 3: BlueP/MoS2 Layer 110 5.2.2.4 Layer 4: MXene (Ti3C2Tx) Layer as BRE for Biosensing 110 5.2.2.5 Layer 5: Sensing Medium (RI-1.33-1.335) 110 5.2.3 Proposed Sensor Modeling 110 5.3 Results Discussion 112 5.3.1 Role of Monolayer BlueP/MoS2 and MXene (Ti3C2Tx) and Its Comparison With Conventional SPR 112 5.3.2 Influence of Varying Heterostructure Layers for Proposed Design 114 5.3.3 Effect of Changing Prism Material and Metal on Performance of Proposed Design 115 5.4 Conclusion 125 References 125 6 2D Perovskite Materials and Their Device Applications 131B. Venkata Shiva Reddy, K. Srinivas, N. Suresh Kumar, S. Ramesh, K. Chandra Babu Naidu, Prasun Banerjee, Ramyakrishna Pothu and Rajender Boddula 6.1 Introduction 131 6.2 Structure 134 6.2.1 Crystal Structure 134 6.2.2 Electronic Structure of 2D Perovskites 134 6.2.3 Structure of Photovoltaic Cell 135 6.3 Discussion and Applications 136 6.4 Conclusion 139 References 139 7 Introduction and Significant Parameters for Layered Materials 141Umbreen Rasheed, Fayyaz Hussain, Muhammad Imran, R.M. Arif Khalil and Sungjun Kim 7.1 Graphene 143 7.2 Phosphorene 147 7.3 Silicene 148 7.4 ZnO 150 7.5 Transition Metal Dichalcogenides (TMDCs) 151 7.6 Germanene and Stanene 152 7.7 Heterostructures 153 References 156 8 Increment in Photocatalytic Activity of g-C3N4 Coupled Sulphides and Oxides for Environmental Remediation 159Pankaj Raizada, Abhinadan Kumar and Pardeep Singh 8.1 Introduction 160 8.2 GCN Coupled Metal Sulphide Heterojunctions for Environment Remediation 163 8.2.1 GCN and MoS2-Based Photocatalysts 163 8.2.2 GCN and CdS-Based Heterojunctions 168 8.2.3 Some Other GCN Coupled Metal Sulphide Photocatalysts 171 8.3 GCN Coupled Metal Oxide Heterojunctions for Environment Remediation 173 8.3.1 GCN and MoO3-Based Heterojunctions 177 8.3.2 GCN and Fe2O3-Based Heterojunctions 179 8.3.3 Some Other GCN Coupled Metal Oxide Photocatalysts 180 8.4 Conclusions and Outlook 181 References 181 9 2D Zeolites 193Moumita Sardar, Manisha Maharana, Madhumita Manna and Sujit Sen 9.1 Introduction 193 9.1.1 What is 2D Zeolite? 195 9.1.2 Advancement in Zeolites to 2D Zeolite 196 9.2 Synthetic Method 197 9.2.1 Bottom-Up Method 197 9.2.2 Top-Down Method 198 9.2.3 Support-Assisted Method 199 9.2.4 Post-Synthesis Modification of 2D Zeolites 200 9.3 Properties 200 9.4 Applications 203 9.4.1 Petro-Chemistry 203 9.4.2 Biomass Conversion 203 9.4.2.1 Pyrolysis of Solid Biomass 203 9.4.2.2 Condensation Reactions 204 9.4.2.3 Isomerization 204 9.4.2.4 Dehydration Reactions 204 9.4.3 Oxidation Reactions 205 9.4.4 Fine Chemical Synthesis 206 9.4.5 Organometallics 206 9.5 Conclusion 206 References 207 10 2D Hollow Nanomaterials 211S.S. Athira, V. Akhil, X. Joseph , J. Ashtami and P.V. Mohanan 10.1 Introduction 212 10.2 Structural Aspects of HNMs 213 10.3 Synthetic Approaches 214 10.3.1 Template-Based Strategies 215 10.3.1.1 Hard Templating 215 10.3.1.2 Soft Templating 217 10.3.2 Self-Templating Strategies 218 10.3.2.1 Surface Protected Etching 219 10.3.2.2 Ostwald Ripening 219 10.3.2.3 Kirkendall Effect 219 10.3.2.4 Galvanic Replacement 220 10.4 Medical Applications of HNMs 220 10.4.1 Imaging and Diagnosis Applications 221 10.4.2 Applications of Nanotube Arrays 222 10.4.2.1 Pharmacy and Medicine 224 10.4.2.2 Cancer Therapy 224 10.4.2.3 Immuno and Hyperthermia Therapy 226 10.4.2.4 Infection Therapy and Gene Therapy 226 10.4.3 Hollow Nanomaterials in Diagnostics and Therapeutics 227 10.4.4 Applications in Regenerative Medicine 227 10.4.5 Anti-Neurodegenerative Applications 228 10.4.6 Photothermal Therapy 229 10.4.7 Biosensors 230 10.5 Non-Medical Applications of HNMs 231 10.5.1 Catalytic Micro or Nanoreactors 231 10.5.2 Energy Storage 232 10.5.2.1 Lithium Ion Battery 232 10.5.2.2 Supercapacitor 232 10.5.3 Nanosensors 233 10.5.4 Wastewater Treatment 234 10.6 Toxicity of 2D HNMs 234 10.7 Future Challenges 237 10.8 Conclusion 239 Acknowledgement 240 References 240 11 2D Layered Double Hydroxides 249J. Ashtami, X. Joseph, V. Akhil , S.S. Athira and P.V. Mohanan 11.1 Introduction 250 11.2 Structural Aspects 251 11.3 Synthesis of LDHs 252 11.3.1 Co-Precipitation Method 253 11.3.2 Urea Hydrolysis 254 11.3.3 Ion-Exchange Method 254 11.3.4 Reconstruction Method 254 11.3.5 Hydrothermal Method 255 11.3.6 Sol-Gel Method 255 11.4 Nonmedical Applications of LDH 255 11.4.1 Adsorbent 255 11.4.2 Catalyst 257 11.4.3 Sensors 260 11.4.4 Electrode 261 11.4.5 Polymer Additive 261 11.4.6 Anion Scavenger 262 11.4.7 Flame Retardant 263 11.5 Biomedical Applications 263 11.5.1 Biosensors 263 11.5.2 Scaffolds 265 11.5.3 Anti-Microbial Agents 266 11.5.4 Drug Delivery 267 11.5.5 Imaging 269 11.5.6 Protein Purification 269 11.5.7 Gene Delivery 270 11.6 Toxicity 272 11.7 Conclusion 273 Acknowledgement 274 References 274 12 Experimental Techniques for Layered Materials 283Tariq Munir, Arslan Mahmood, Muhammad Imran, Muhammad Kashif, Amjad Sohail, Zeeshan Yaqoob, Aleena Manzoor and Fahad Shafiq 12.1 Introduction 284 12.2 Methods for Synthesis of Graphene Layered Materials 285 12.3 Selection of a Suitable Metallic Substrate 287 12.4 Graphene Synthesis by HFTCVD 287 12.5 Graphene Transfer 289 12.6 Characterization Techniques 291 12.6.1 X-Ray Diffraction Technique 291 12.6.2 Field Emission Scanning Electron Microscopy (FESEM) 292 12.6.3 Transmission Electron Microscopy (TEM) 293 12.6.4 Fourier Transform Infrared Radiation (FTIR) 294 12.6.5 UV-Visible Spectroscopy 295 12.6.6 Raman Spectroscopy 295 12.6.7 Low Energy Electron Microscopy (LEEM) 296 12.7 Potential Applications of Graphene and Derived Materials 297 12.8 Conclusion 298 Acknowledgement 298 References 299 13 Two-Dimensional Hexagonal Boron Nitride and Borophenes 303Atif Suhail and Indranil Lahiri 13.1 Two-Dimensional Hexagonal Boron Nitride (2D h-BN): An Introduction 304 13.2 Properties of 2D h-BN 305 13.2.1 Structural Properties 305 13.2.2 Electronic and Dielectric Properties 306 13.2.3 Optical Properties 307 13.3 Synthesis Methods of 2D h-BN 308 13.3.1 Mechanical Exfoliation 309 13.3.2 Liquid Exfoliation 310 13.3.3 Chemical Vapor Deposition (CVD) 310 13.3.3.1 Synthesis Parameters 312 13.3.3.2 Growth Mechanism 313 13.3.3.3 Transfer of 2D h-BN Onto Other Substrates 314 13.3.4 Physical Vapor Deposition Method (PVD) 315 13.3.5 Surface Segregation Method 316 13.4 Application of 2D h-BN 317 13.4.1 2D h-BN in Electronic Manufacturing 318 13.4.2 2D h-BN as a Filler in Polymer Composites 319 13.4.3 2D h-BN as a Protective Barrier 320 13.4.4 2D h-BN in Optoelectronics 321 13.5 Borophene 323 13.5.1 Theoretical Investigation and Experimental Synthesis 324 13.5.2 Properties and Application of Borophene 326 13.5.2.1 Electronic Properties of Borophene 326 13.5.2.2 Chemical Properties 326 13.5.3 Potential Applications of Borophene 328 References 328 14 Transition-Metal Dichalcogenides for Photoelectrochemical Hydrogen Evolution Reaction 337Rozan Mohamad Yunus, Mohd Nur Ikhmal Salehmin and Nurul Nabila Rosman 14.1 Introduction 337 14.2 TMDC-Based Photoactive Materials for HER 339 14.2.1 MoS2 339 14.2.2 MoSe2 341 14.2.3 WS2 341 14.2.4 CoSe2 342 14.2.5 FeS2 343 14.2.6 NiSe2 344 14.3 TMDCs Fabrication Methods 345 14.3.1 Hydrothermal 345 14.3.2 Chemical Vapor Deposition/Vapor Phase Growth Process 346 14.3.3 Metal-Organic Chemical Vapor Deposition (MOCVD) 347 14.3.4 Atomic Layer Deposition (ALD) 348 14.4 Current Photocatalytic Activity Performance 350 14.5 Summary and Perspective 351 References 352 15 State-of-the-Art and Perspective of Layered Materials 363Tariq Munir, Muhammad Kashif, Aamir Shahzad, Nadeem Nasir, Muhammad Imran, Nabeel Anjum and Arslan Mahmood 15.1 Introduction 363 15.2 State-of-the-Art and Future Perspective 364 15.2.1 Electronic Devices 365 15.2.2 Optoelectronic Devices 369 15.2.3 Energy Storage Devices 372 15.3 Conclusion 374 References 374 Index 379

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Book Synopsis2D Monoelements: Properties and Applications explores the challenges, research progress and future developments of the basic idea of two-dimensional monoelements, classifications, and application in field-effect transistors for sensing and biosensing. The thematic topics include investigations such as: Recent advances in phosphorene The diverse properties of two-dimensional antimonene, of graphene and its derivatives The molecular docking simulation study used to analyze the binding mechanisms of graphene oxide as a cancer drug carrier Metal-organic frameworks (MOFs)-derived carbon (graphene and carbon nanotubes) and MOF-carbon composite materials, with a special emphasis on the use of these nanostructures for energy storage devices (supercapacitors) Two-dimensional monoelements classification like graphene application in field-effect transistors for sensing and biosensing Graphene-based ternary materials as a sTable of ContentsPreface xiii 1 Phosphorene: A 2D New Derivative of Black Phosphorous 1Lalla Btissam Drissi, Siham Sadki and El Hassan Saidi 1.1 Introduction 1 1.2 Pristine 2D BP 3 1.2.1 Synthesis and Characterization 3 1.2.1.1 Top-Down Approaches 3 1.2.1.2 Bottom-Up Methods 4 1.2.1.3 Geometric Structure and Raman Spectroscopy 4 1.2.2 Physical Properties 5 1.2.2.1 Anisotropic Eectronic Behavior 5 1.2.2.2 Optical Properties 6 1.2.2.3 Elastic Parameters 8 1.2.3 Applications 9 1.2.3.1 Gas Sensors 9 1.2.3.2 Battery Applications 9 1.2.3.3 FETs 10 1.3 Phosphorene Oxides 10 1.3.1 Challenges: Degradation of Phosphorene 11 1.3.1.1 Light Exposure 11 1.3.1.2 Phosphorene vs Air 12 1.3.1.3 Functionalized Phosphorene 12 1.3.2 Half-Oxided Phosphorene 13 1.3.2.1 Electronic Structure 14 1.3.2.2 Optical Response 15 1.3.2.3 Strain Effect 16 1.3.3 Surface Oxidation on Phosphorene 18 1.3.3.1 Optoelectronic Features 18 1.3.3.2 Stress vs Strain 20 1.3.3.3 Thermal Conductivity 21 1.4 Conclusion 22 Acknowledgment 22 References 22 2 Antimonene: A Potential 2D Material 27Shuai Liu, Tianle Zhang and Shengxue Yang 2.1 Introduction 27 2.2 Fundamental Characteristics 29 2.2.1 Structure 29 2.2.2 Electronic Band Structure 30 2.3 Experimental Preparation 30 2.3.1 Mechanical Exfoliation 30 2.3.2 Liquid Phase Exfoliation 32 2.3.3 Epitaxial Growth 35 2.3.4 Other Methods 40 2.4 Applications of Antimonene 40 2.4.1 Nonlinear Optics 40 2.4.2 Optoelectronic Device 42 2.4.3 Electrocatalysis 44 2.4.4 Energy Storage 45 2.4.5 Biomedicine 47 2.4.6 Magneto-Optic Storage 50 2.5 Conclusion and Outlook 50 References 52 3 Synthesis and Properties of Graphene-Based Materials 57U. Naresh, N. Suresh Kumar, D. Baba Basha, Prasun Benerjee, K. Chandra Babu Naidu, R. Jeevan Kumar, Ramyakrishna Pothu and Rajender Boddula 3.1 Introduction 58 3.2 Applications 60 3.3 Structure 62 3.3.1 Graphene-Related Materials 63 3.3.2 Synthesis Techniques 64 3.3.3 Mechanical Exfoliation of Graphene Layers 64 3.3.4 Chemical Vapor Deposition of Graphene Layers 65 3.3.5 Hummer Method of Graphene 65 3.3.6 Plasma-Enhanced Chemical Vapor Deposition of Graphene Layers 65 3.4 Physical Properties 66 3.4.1 Thermal Stability 66 3.4.2 Electronic Properties 67 3.5 Conclusions 68 References 69 4 Theoretical Study on Graphene Oxide as a Cancer Drug Carrier 73Satya Narayan Sahu, Saraswati Soren, Shanta Chakrabarty and Rojalin Sahu 4.1 Introduction 74 4.2 Molecular Interaction of Biomolecules and Graphene Oxide 76 4.2.1 Molecular Interaction of DNA with Graphene Oxide 76 4.2.2 Molecular Interaction of Protein with Graphene Oxide 77 4.3 Computational Method 78 4.4 Results and Discussion 79 4.4.1 Binding Behavior Between Graphene Oxide With Cancer Drugs (5-Flourouracil, Ibuprofen, Camptothecine, and Doxorubicin) 79 4.5 Conclusion 83 References 83 5 High-Quality Carbon Nanotubes and Graphene Produced from MOFs and Their Supercapacitor Application 87Mandira Majumder, Ram B. Choudhary, Anukul K. Thakur, Rabah Boukherroub and Sabine Szunerits 5.1 Introduction 88 5.1.1 The Basics of Metal Organic Frameworks (MOFs) 91 5.2 Carbonization of MOFs 92 5.2.1 Conversion of MOFs Into Carbon Nanotubes (CNTs) 93 5.2.2 MOFs Derived Graphene Like Carbon and Graphene-Based Composites 94 5.2.3 MOFs Precursors for the Preparation of Porous Carbon Nanostructures Other Than Graphene and CNTs 95 5.3 Effect of MOF Pyrolysis Temperature on Porosity and Pore Size Distribution 96 5.4 MOF Derived Carbon as Supercapacitor Electrodes 98 5.5 Conclusions and Perspectives 107 Acknowledgement 108 References 109 6 Application of Two-Dimensional Monoelements–Based Material in Field-Effect Transistor for Sensing and Biosensing 119Tejaswini Sahoo, Jnana Ranjan Sahu, Jagannath Panda, Neeraj Kumari and Rojalin Sahu 6.1 Introduction 120 6.1.1 Classification of 2D Monoelement (Xenes) in the Periodic Table 121 6.1.2 Group III 121 6.1.2.1 Borophene 123 6.1.2.2 Gallenene 123 6.1.3 Group IV 126 6.1.3.1 Silicene 126 6.1.3.2 Germanene 126 6.1.3.3 Stanene 126 6.1.4 Group V 126 6.1.4.1 Phosphorene 126 6.1.4.2 Arsenene 127 6.1.4.3 Antimonene 127 6.1.4.4 Bismuthene 127 6.1.5 Group VI 127 6.1.5.1 Selenene 127 6.1.5.2 Tellurene 128 6.2 Field-Effect Transistor 128 6.2.1 Different Types of Recently Developed Field-Effect Transistors 129 6.2.1.1 Field-Effect Transistors Based on Silicon 129 6.2.1.2 Field-Effect Transistors Based on Carbon Nanotube 129 6.2.1.3 Organic Field-Effect Transistors 130 6.2.1.4 Field-Effect Transistors Based on Graphene 130 6.3 Application of 2D Monoelements in Field-Effect Transistor for Sensing and Biosensing 130 6.3.1 Biosensor 130 6.3.1.1 DNA Sensors 133 6.3.1.2 Protein Sensors 133 6.3.1.3 Glucose Sensor 134 6.3.1.4 Living Cell and Bacteria Sensors 134 6.3.2 Sensor 135 6.3.2.1 Gas Sensor 135 6.3.2.2 pH Sensor 136 6.3.2.3 Metal Ion and Other Chemical Sensors 137 6.4 Conclusions and Perspectives 138 References 139 7 Supercapacitor Electrodes Utilizing Graphene-Based Ternary Composite Materials 149B. Saravanakumar, K. K. Purushothaman, S.Vadivel, A. Sakthivel, N. Karthikeyan and P. A. Periasamy 7.1 Introduction 150 7.2 Charge Storage Mechanism of a Supercapacitor Device 151 7.2.1 Design of a Supercapacitor Electrode 154 7.3 Graphene and its Functionalized Forms 154 7.3.1 Graphene 154 7.3.2 Graphene Oxide 155 7.3.3 Reduced Graphene Oxide 155 7.4 Varieties of Graphene-Based Ternary Composite 155 7.4.1 Graphene-Conducting Polymer-Metal Oxide 156 7.4.1.1 Graphene-PEDOT-Metal Oxide 156 7.4.1.2 Graphene-PANI-Metal Oxide 157 7.4.1.3 Graphene-PPy-Metal Oxide 159 7.4.2 Graphene/Other Carbon/Conducting Polymer 159 7.4.3 Graphene/Other Carbon Material/Metal Oxide 160 7.4.4 Other Graphene-Based Ternary Materials 161 7.5 Conclusion and Future Perspectives 162 References 162 8 Graphene: An Insight Into Electrochemical Sensing Technology 169Anantharaman Shivakumar and Honnur Krishna 8.1 Introduction 170 8.2 Electronic Band Structure of Graphene 172 8.3 Electrochemical Influence of the Graphene Due to Doping Effect 174 8.4 Exfoliation of Graphite: Chemistry Behind Scientific Approach 176 8.5 Electrochemical Reduction of Oxidized Graphene 184 8.6 Spectroscopic Study of Graphene 187 8.7 Biotechnical Functionalization of Graphene 188 8.8 Graphene Technology in Sensors 190 8.8.1 Glucose Sensors 190 8.8.2 DNA and Aptamer Sensors 192 8.8.3 Pollutant Sensors 197 8.8.4 Gas Sensors 200 8.8.5 Pharmaceutical Sensors and Antioxidant Sensors 201 8.9 Conclusion 208 Acknowledgements 210 References 210 9 Germanene 235Mohd Imran Ahamed and Naushad Anwar 9.1 Introduction 236 9.2 Structural Arrangements 239 9.2.1 Elemental Structures 239 9.2.2 Decorated Structures 240 9.2.3 Composite Structures 243 9.3 Fundamental Properties of Germanene 243 9.3.1 Quantum Spin Hall (QSH) Effect 243 9.3.2 Mechanical Properties 245 9.3.3 Thermal Properties 246 9.3.4 Optical Properties 246 9.4 Applications of Germanene 248 9.4.1 Strain-Induced Self-Doping in Germanene 248 9.4.2 In Battery Applications 249 9.4.3 In Electronic Devices 250 9.4.4 Catalysis 250 9.4.5 Optoelectronic and Luminescence Applications 254 9.5 Conclusions 255 References 255 10 2D Graphene Nanostructures for Biomedical Applications 261Kiran Rana, Rinky Ghosh and Neha Kanwar Rawat 10.1 Introduction 261 10.1.1 Synthesis Routes of Graphene 263 10.1.2 Graphene and its Derivatives 263 10.2 Applications of Graphene in Biomedicine 265 10.2.1 Tissue Engineering 265 10.2.1.1 Cartilage Tissue Engineering 266 10.2.2 Bone Tissue Engineering 269 10.2.2.1 Methods of Fracture Repair 269 10.2.2.2 Graphene Used in Bone Tissue Engineering 269 10.2.3 Gene Delivery 271 10.2.4 Cancer Therapy 272 10.2.5 Genotoxicity 273 10.2.6 2D Application of Graphene in Biosensing 274 10.2.7 Prosthetic Implants 275 10.3 Conclusion 277 References 278 11 Graphene and Graphene-Integrated Materials for Energy Device Applications 285Santhosh, G. and Bhatt, Aarti S. 11.1 Introduction 285 11.1.1 Anode Materials for Electrodes 288 11.1.2 Cathode Materials for Electrodes 289 11.2 Graphene-Integrated Electrodes for Lithium-Ion Batteries (LIBs) 290 11.2.1 The Working of LIBs 291 11.2.2 Graphene-Integrated Cathodes 293 11.2.2.1 Graphene/LiFePO4 as Cathode 293 11.2.2.2 Graphene/LiMn2O4 as Cathode 294 11.2.2.3 Graphene-Layered Cathode Material 295 11.2.3 Graphene-Integrated Anodes 296 11.2.3.1 Graphene/Li4Ti5O12 as Anode 297 11.2.3.2 Graphene/Si or Ge as Anode 298 11.2.3.3 Graphene/Metal Oxides as Anodes 299 11.2.3.4 Graphene/Sulfides as Anodes 302 11.3 Graphene-Integrated Nanocomposites for Supercapacitors (SCs) 303 11.3.1 Working Mechanism of Supercapacitors 304 11.3.1.1 Electrochemical Double Layer Capacitors (EDLC) 304 11.3.1.2 Pseudo-Capacitors 304 11.3.1.3 Hybrid Supercapacitors 304 11.3.2 Graphene-Integrated Supercapacitors (GSCs) 305 11.3.2.1 Graphene/Organic Material Nanocomposites 306 11.3.2.2 Graphene/Conducting Polymer Nanocomposites 307 11.3.2.3 Graphene/Metal Oxide Nanocomposites 310 11.4 Conclusion 314 References 316 Index 329

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Book SynopsisDevoted to advances in the field of computer simulation of aerospace equipment, this study is the most up-to-date coverage of the state-of-the-art on coastal and passenger aircraft, drones, and other recent developments in this constantly changing field. This book is devoted to unique developments in the field of computer modeling in aerospace engineering. The book describes the original conceptual models of amphibious aircraft, ground-effect vehicles, hydrofoil vessels, and others, from theory to the full implementation in industrial applications. The developed models are presented with the design of passenger compartments and are actually ready for implementation in the aircraft industry. The originality of the concepts are based on biological prototypes, which are ergonomic, multifunctional and aesthetically pleasing. The aerodynamic layout of prospective convertible land and ship-based aircrafts of vertical and short takeoff-landing is presented, as well as the development ofTable of ContentsAbstract xiii Preface xv 1 Computer Simulation in Aircraft 1Iftikhar B. Abbasov 1.1 Simulation of Aircraft 1 1.2 Simulation of Rocket 3 1.3 Modeling of Streamlined Surfaces 5 1.4 Simulation of the Be-200 Amphibious Aircraft 6 1.5 Conceptual Model of Aircraft “Chiroptera” 9 1.6 Conceptual Design of “Lotos” Motorcar 14 References 19 2 Conceptual Modeling of Amphibian Aircrafts 23Iftikhar B. Abbasov and V’iacheslav V. Orekhov 2.1 From the History of World Civil Aviation 24 2.1.1 Introduction 24 2.1.2 Historical Stages of Hydroaviation Development by the Beriev Aircraft Company 25 2.2 Computational Modeling of Multipurpose Amphibious Aircraft Be-200 30 2.2.1 Introduction 30 2.2.2 Modeling Methods and Stages 31 2.2.3 Shading of 3D Model 35 2.2.4 Rendering of 3D Model 36 2.2.5 Conclusion 38 2.3 Computational Modeling of Passenger Amphibian Aircraft Be-200 Cabin Interior 38 2.3.1 Introduction 38 2.3.2 Variants of Cabin Layout 40 2.3.3 Aircraft Cabin Modeling 43 2.3.4 Shading of Aircraft Cabin Objects 45 2.3.5 Rendering of Aircraft Cabin 47 2.3.6 Conclusion 48 2.4 Computational Modeling of Amphibious Aircraft Be-103 50 2.4.1 Introduction 50 2.4.2 Modeling Methods and Stages 51 2.4.3 Shading of 3D-Model 56 2.4.4 Rendering of 3D-Model 58 2.4.5 Conclusion 60 2.5 Conceptual Model of “Lapwing” Amphibious Aircraft 60 2.5.1 Introduction 60 2.5.2 Concept Development 61 2.5.3 3D Modeling of Amphibious Aircraft “Lapwing” 68 2.5.4 Shading and Rendering of 3D Model of “Lapwing” Amphibious Aircraft 71 2.6 Computational Modeling of the Cabin Interior of the Conceptual Model of Amphibian Aircraft “Lapwing” 74 2.6.1 Introduction 74 2.6.2 The Concept of the Amphibian Aircraft “Lapwing” 75 2.6.3 Layout Concepts 77 2.6.4 Development of a Passenger Seat 78 2.6.5 Modeling of the Cabin Interior 81 2.6.6 Assignment of Materials and Rendering of the Scene 81 2.6.7 Usability and Comfort Cabin Interior 83 2.6.8 Conclusion 85 2.7 Conceptual Model and Interior Design “Water Strider” Ekranoplan 85 2.7.1 Introduction 85 2.7.2 Review of Ekranoplans 86 2.7.3 Review of Publications 92 2.7.4 Concept of an Ekranoplan of “Water Strider” 93 2.7.5 Configuration of the Concept of an Ekranoplan 96 2.7.6 Stages of Modeling 96 2.7.7 Shading and Rendering of Model 100 2.7.8 Development of an Interior and Passenger Chair 101 2.7.9 Creation of Materials and Rendering of an Interior 104 2.7.10 Conclusion 107 2.8 Design of Multifunctional Hydrofoil “Afalina” 108 2.8.1 Introduction 108 2.8.2 Research Overview 109 2.8.3 Development of the Concept 112 2.8.4 Ship Modeling 114 2.8.5 Shading and Rendering of the Model 115 2.8.6 Conclusion 119 2.9 Autonomous Mobile Robotic System “Sesarma” 119 2.9.1 Introduction 119 2.9.2 Review of Publications 119 2.9.3 Review of the Analogues 120 2.9.4 Robot Structure 121 2.9.5 Modeling Concept 123 2.9.6 Modeling Stages 123 2.9.7 Creation and Assignment of Materials 126 2.9.8 Lighting Installation and Rendering 128 2.9.9 Conclusion 129 References 129 3 Development of Schemes of Multirotor Convertiplanes with Cryogenic and Hybrid Powerplants 137Dmitriy S. Durov 3.1 Introduction 137 3.2 Hydro Convertiplane is the New Opportunity for Modern Aviation 138 3.3 Peculiarities of Control of the Vertical Takeoff and Landing Aircraft in the Transitional and Hovering Mode 143 3.4 Problems of Stability and Controllability of Hydro Convertiplane with Tandem-Mounted Rotors in Rotary Annular Channels 148 3.5 Cryogenic Turboelectric Aircrafts are a Good Solution for Short-Range and Takeoff Hybrid Airline Complexes 150 3.6 Conclusion 154 References 158 4 Conceptual Design of A Multifunctional Amphibious Plane 161V’iacheslav V. Orekhov 4.1 Introduction, Historical Stages 161 4.2 Concept 167 4.3 3D Modeling 170 4.4 Application of Materials, Rendering 171 4.5 Conclusion 176 References 176 5 Mathematical Model of Unmanned Aircraft with Elliptical Wing 179Sergey A. Sinutin, Alexander A. Gorbunov, and Yekaterina B. Gorbunova 5.1 Introduction 180 5.2 Research Objective 180 5.3 Research Technique 181 5.4 Hardware Implementation 181 5.5 The Program Research Part 183 5.6 Studies of the Behavior of an Unmanned Aircraft with an Elliptical Wing 184 5.7 Experimental Studies of the UA Behavior 187 5.8 Processing and Analysis of Data Obtained during Flight Tests 189 5.9 Formation of a Mathematical Model of UA with Elliptical Wing 193 5.10 Mathematical Model of UA in Analytical Form 193 5.11 Obtaining a Mathematical Model using the “Black Box” Method 195 5.12 Mathematical Model Based on Linear Regression 197 5.13 Mathematical Model Based on Multilayer Perceptron 200 5.14 PID Controller Setup 201 5.15 Flight Emulation for Primary Quality Control of the Regulator 203 5.16 Conclusion 205 References 208 6 Technology of Geometric Modeling of Dynamic Objects and Processes of Virtual Environment for Aviation-Space Simulators Construction 211Valeriy G. Lee 6.1 Introduction 211 6.2 Methods of Applied Geometry in Solving Problems of Simulation Modeling in SVR 216 6.2.1 Optimum Discretization of Curved Lines 217 6.2.2 Curve Integral Model 221 6.2.3 Methods for Assessing the Information Capacity of Discrete Curve Frames 222 6.2.4 Optimal Discretization Based on Integral Curve Model 224 6.3 Purposes and Objectives of the Extravehicular Activity of the RTS Cosmonaut Operator on the ISS in Open Space, Technology of Computer Simulation in the Virtual Reality Environment 229 6.3.1 Extravehicular Activity of the RTS Cosmonaut Operator 229 6.3.2 Technologies of Methodical and Hardware-Software Implementation of a Cosmonaut-Operator’s Simulator 232 6.3.3 Dynamic Virtual Model of the Manipulator 235 6.3.4 Software Technologies for the Formation of Dynamic Models of the Editor-Modeler 239 6.4 Experimental Studies of the Functional Completeness of TMS Graphics and Software 241 6.4.1 Information and Functional Power of the TMS Visualizer 241 6.4.2 An Example of a Simulator of a Typical Flight Mission at Solar Battery Installation 244 6.4.3 The Technology of Testing Emergency Situations 248 6.4.4 Experimental Search for a Safe Trajectory of ERA Movement 254 6.5 Conclusion 255 References 258 Index 261

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