Industrial chemistry and chemical engineering Books

Book SynopsisAiming to contribute to reliable and realistic predictions, this book focuses on sampling times from a few seconds to a few hours. Its objectives include: developing definitions of statistical terms; identifying areas where further information is required to define concentration variability statistics; formulating an operation model; and more.Table of ContentsPreface. Acknowledgments. 1. Background and Objectives. 2. Sampling and Averaging Time Definitions. 3. Effect of Averaging Time on Mean Calculations. 4. Concentration Fluctuation Modeling. 5. Probability Distributions. 6. Release Height and Source Size Effects on Fluctuation Intensity. 7. Source Density Effects on Fluctuations. 8. Buildings and Obstacles. 9. Threshold Crossing and peak Levels. 10. Framework for an Operational Model. Appendix A. Averaging and Sampling Time Effects on Plume Spread Velocity and Concentration Fluctuations. Appendix B. Peak Values and Threshold Crossing Probability. Appendix C. Eulerian and Lagrangian Turbulence Scales. References. Nomenclature. Index.

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Book SynopsisThis book focuses on common types of polymers belonging to the class of water soluble polymers. It covers a wide range of applications: food, cosmetic, medical, lithography and ink jet printing, agricultural, wastewater cleaning, and oilfield.Trade Review"The handbook provides a comprehensive reference for chemical engineers and offers advanced students a textbook for use in courses on chemically biased plastics technology and polymer science." (Int. Journal of Microstructure and Materials Properties, 2011) Table of ContentsPreface. 1. Poly(ethylene oxide). 1.1 Monomers. 1.2 Polymerization Fabrication. 1.3 Properties. 1.4 Special Additives. 1.5 Applications. 1.6 Supplier and Commercial Grades. 1.7 Environmental Impact and Recycling. 2. Poly(vinyl alcohol). 2.1 Monomers. 2.2 Polymerization Fabrication. 2.3 Properties. 2.4 Applications. 2.5 Suppliers and Commercial Grades. 2.6 Safety. 2.7 Environmental Impact and Recycling. 3. Polysaccharides. 3.1 Polymers. 3.2 Starch. 3.3 Chitosan. 3.4 Carboxymethyl cellulose. 3.5 Guar. 3.6 Carrageenan. 3.7 Suppliers and Commercial Grades. 4. Poly((meth)acrylic acid). 4.1 Monomers. 4.2 Polymerization and Fabrication. 4.3 Properties. 4.4 Applications. 4.5 Suppliers and Commercial Grades. 5. Poly(acrylamide). 5.1 Monomers. 5.2 Polymerization and Fabrication. 5.3 Properties. 5.4 Special Additives. 5.5 Applications. 5.6 Suppliers and Commercial Grades. 5.7 Safety. 5.8 Environmental Impact and Recycling. 6. Poly(vinylamine). 6.1 Monomers. 6.2 Polymerization and Fabrication. 6.3 Applications. 6.4 Suppliers and Commercial Grades. 6.5 Safety. 7. Poly(vinylpyridine). 7.1 Monomers. 7.2 Polymerization and Fabrication. 7.3 Properties. 7.4 Applications. 7.5 Suppliers and Commercial Grades. 7.6 Safety. 7.7 Environmental Impact and Recycling. 8. Poly(vinylimidazole). 8.1 Monomers. 8.2 Polymerization and Fabrication. 8.3 Properties. 8.4 Applications. 8.5 Suppliers and Commercial Grades. 8.6 Safety. 9. Poly(vinylpyrrolidone). 9.1 Monomers. 9.2 Polymerization and Fabrication. 9.3 Properties. 9.4 Special Additives. 9.5 Applications. 9.6 Suppliers and Commercial Grades. 9.7 Safety. 9.8 Environmental Impact and Recycling. 10. Other Cationic Polymers. 10.1 Manufacture. 10.2 Applications. 11. Other Anionic Polymers. 11.1 2-Acrylamido2-methyl-1-propane sulfonic acid. 11.2 Poly(sulfonicacid)s. 11.3 Sulfonated Asphalt. 11.4 Lignosulfonate. Index.

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Book SynopsisAn authoritative look at the application of chemical biology in drug discovery and development Based on the award-winning Wiley Encyclopedia of Chemical Biology published in 2008, this book explores the role of chemical biology in drug discovery and development. The first part of the book reviews key principles and techniques used in the design and evaluation of drug candidates. The second part elucidates biological mechanisms of certain diseases, illuminating approaches to investigate and target these diseases. Comprising carefully selected reprints from the Encyclopedia as well as new contributions from leading scholars in the field, this book provides researchers in academia and industry with important information to aid in the development of novel agents to treat disease. Self-contained articles cover a variety of essential topics, including: The design, development, and optimization of drug candidates The pharmacokTable of ContentsContributors xi PART I DRUG DISCOVERY AND DEVELOPMENT 1 1 The Role of Chemical Biology in Drug Discovery 3 Andrew J. Pope 2 Computational Approaches to Drug Discovery and Development 23 Honglin Li, Mingyue Zheng, Xiaomin Luo, Weiliang Zhu, and Hualiang Jiang 3 Design and Selection of Small Molecule Inhibitors 41 Jianwei Che, Yi Liu, and Nathanael S. Gray 4 Lead Optimization in Drug Discovery 65 Craig W. Lindsley, David Weaver, Thomas M. Bridges, and J. Phillip Kennedy 5 Pharmacokinetics of Drug Candidates 83 Ronald E. White 6 ADME Properties of Drugs 101 Li Di and Edward H. Kerns 7 Drug Transport in Living Systems 115 Yael Elbaz and Shimon Schuldiner 8 Blood-Brain Barrier: Considerations in Drug Development and Delivery 133 David S. Miller and Brian T. Hawkins 9 Pharmacokinetic Considerations: Methods and Systems of Controlled Drug Delivery 147 Zhong Zuo and Vincent H. L. Lee 10 Pharmaceuticals: Natural Products and Natural Product Models 165 Sheo B. Singh PART II CHEMICAL BIOLOGY TO UNDERSTAND AND TARGET DISEASE 203 11 The Role of Chemical Biology in Understanding and Treating Disease—Are Small Molecule “Correctors” the Way of the Future? 205 David Selwood 12 Anxiety Disorders 215 Miklos Toth 13 Chronic Obstructive Pulmonary Disease (COPD) 245 Peter J. Barnes 14 Depression 267 Glen B. Baker and Nicholas D. Mitchell 15 Osteoarthritis 293 Marjolaine Gosset, Jeremie Sellam, Claire Jacques, nd Francis Berenbaum 16 Human Immunodeficiency Virus (HIV) 331 Joseph P. Vacca 17 Allergy and Asthma 341 Garry M. Walsh 18 Schizophrenia 357 Ferenc Martenyi 19 Protein Misfolding and Disease 379 Johanna C. Scheinost, Grant E. Boldt, and Paul Wentworth 20 Protein Trafficking Diseases 401 Heidi M. Sampson and David Y. Thomas 21 Metabolic Diseases 419 Cynthia M. Arbeeny 22 Mitochondrial Medicine 445 Richard J. T. Rodenburg and Jan A. M. Smeitink 23 Lysosomal Disorders 461 Doug A. Brooks and Maria Fuller Index 483

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Book SynopsisAntioxidant Polymers is an exhaustive overview of the recent developments in the field of polymeric materials showing antioxidant properties. This research area has grown rapidly in the last decade because antioxidant polymers have wide industry applications ranging from materials science to biomedical, pharmaceuticals and cosmetics.Table of ContentsPreface List of contributors 1. Antioxidants: Introduction 1 Chunhuan He, Yingming Pan, Xiaowen Ji and Hengshan Wang 1.1 The Meaning of Antioxidant 1 1.2 The Category of Antioxidants and Introduction of often Used Antioxidants 2 1.3 Antioxidant Evaluation Methods 8 1.4 Antioxidant and its Mechanisms 13 1.5 Adverse Effects of Antioxidants 15 References 16 2. Natural Polyphenol and Flavonoid Polymers 23 Kelly C. Heim 2.1 Introduction 23 2.2 Structural Classification of Polyphenols 24 2.3 Polyphenol Biosynthesis and Function in Plants 34 2.4 Tannins in Human Nutrition 36 2.5 Antioxidant Activity of Tannins 41 2.6 Protective Effects of Proanthocyanidins in Human Health 45 2.7 Conclusion 46 Acknowledgements 46 References 47 3. Synthesis and Applications of Polymeric Flavonoids 55 Hiroshi Uyama and Young-Jin Kim 3.1 Introduction 55 3.2 Polycondensates of Catechin with Aldehydes 57 3.3 Enzymatically Polymerized Flavonoids 69 3.4 Biopolymer-. avonoid Conjugates 76 3.5 Conclusion 84 References 84 4. Antioxidant Polymers: Metal Chelating Agents 87 Hiba M. Zalloum and Mohammad S. Mubarak 4.1 Introduction 87 4.2 Chitin and Chitosan 91 4.3 Alginates 96 4.4 Chelation Studies 97 4.4.1 Chitosan Derivatives as Chelating Agents 101 4.5 Conclusions 106 References 107 5. Antioxidant Polymers by Chitosan Modi. cation 115 Jarmila Vinšová and Eva Vavr.íková 5.1 Introduction 115 5.2 Chitosan Characteristics 117 5.3 Reactive Oxygen Species and Chitosan as Antioxidant 117 5.4 Structure Modi. cations 120 5.5 Conclusion 129 References 129 6. Cellulose and Dextran Antioxidant Polymers for Biomedical Applications 133 Sonia Trombino, Roberta Cassano and Teresa Ferrarelli 6.1 Introduction 133 6.2 Antioxidant Polymers Cellulose-based 134 6.3 Antioxidant Polymers Dextran-based 142 References 149 7. Antioxidant Polymers by Free Radical Grafting on Natural Polymers 153 Manuela Curcio, Ortensia Ilaria Parisi, Francesco Puoci, Ilaria Altimari, Umile Gianfranco Spizzirri and Nevio Picci 7.1 Introduction 153 7.2 Grafting of Antioxidant Molecules on Natural Polymers 156 7.3 Proteins-based Antioxidant Polymers 157 7.4 Polysaccharides-based Antioxidant Polymers 164 7.5 Conclusions 175 Acknowledgements 176 References 176 8. Natural Polymers with Antioxidant Properties: Poly-/oligosaccharides of Marine Origin 179 Guangling Jiao, Guangli Yu, Xiaoliang Zhao, Junzeng Zhang and H. Stephen Ewart 8.1 Introduction to Polysaccharides from Marine Sources 8.2 Antioxidant Activities of Marine Polysaccharides and their Derivatives 183 8.3 Applications of Marine Antioxidant Polysaccharides and their Derivatives 191 8.4 Structure-antioxidant Relationships of Marine Poly-/oligosaccharides 193 8.5 Conclusions 195 Acknowledgements 195 References 195 9. Antioxidant Peptides from Marine Origin: Sources, Properties and Potential Applications 203 Begoña Giménez, M. Elvira López-Caballero, M. Pilar Montero and M. Carmen Gómez-Guillén 9.1 Introduction 204 9.2 Whole Fish Hydrolysates 207 9.3 Marine Invertebrate Hydrolysates 223 9.4 Fish Frames Hydrolysates 227 9.5 Viscera Hydrolysates 228 9.6 Muscle Hydrolysates 232 9.7 Collagen and Gelatin Hydrolysates 240 9.8 Seaweeds Hydrolysates 243 9.9 Potential Applications 245 9.10 Conclusions 249 Acknowledgements 250 References 250 10. Synthetic Antioxidant Polymers: Enzyme Mimics 259 Cheng Wang, Gang-lin Yan and Gui-min Luo 10.1 Introduction 260 10.2 Organo-selenium/tellurium Compound Mimics 261 10.3 Metal Complex Mimics 281 10.4 Selenoprotein Mimics 295 10.5 Supramolecular Nanoenzyme Mimics 312 10.6 Conclusion 325 References 325 11. Synthetic Polymers with Antioxidant Properties 333 Ashveen V. Nand and Paul A. Kilmartin 11.1 Introduction 334 11.2 Intrinsically Conducting Polymers 335 11.3 Intrinsically Conducting Polymers with Antioxidant Properties 336 11.4 Synthesis of Antioxidant Intrinsically Conducting Polymers 337 11.5 Polymer Morphologies 340 11.6 Mechanism of Radical Scavenging 344 11.7 Assessment of Free Radical Scavenging Capacity 346 11.8 Factors Affecting the Radical Scavenging Activity 348 11.9 Polymer Blends and Practical Applications 350 References 351 12. Synthesis of Antioxidant Monomers Based on Sterically Hindered Phenols, a-Tocopherols, Phosphites and Hindered Amine Light Stabilizers (HALS) and their Copolymerization with Ethylene, Propylene or Styrene 355 Carl-Eric Wilén 12.1 Introduction 356 12.2 Synthesis of Antioxidant Monomers to Enhance Physical Persistence and Performance of Stabilizers 361 12.3 Phenolic Antioxidant Monomers and their Copolymerization with Coordination Catalysts 369 12.4 Copolymerization of Antioxidant Monomers with Ethylene, Propylene, Styrene and Carbon Monoxide Using Single Site Catalysts 372 12.5 Conclusions 379 Acknowledgements 380 References 380 13. Novel Polymeric Antioxidants for Materials 385 Ashish Dhawan, Vijayendra Kumar, Virinder S. Parmarand Ashok L. Cholli 13.1 Industrial Antioxidants 386 13.2 Antioxidants Used in Plastics (Polymer) Industry 386 13.3 Antioxidants Used in Lubricant Industry 389 13.4 Antioxidants Used in Elastomer (Rubber) Industry 390 13.5 Antioxidants Used in Fuel Industry 392 13.6 Antioxidants Used in Food Industry 393 13.7 Limitations of Conventional Antioxidants 395 13.8 Trends towards High Molecular Weight Antioxidants 396 13.9 Motivation, Design and Methodology for Synthesis of Novel Polymeric Antioxidant Motivation 407 13.10 Biocatalytic Synthesis of Polymeric Antioxidants 409 13.11 General Procedure for Enzymatic Polymerization 410 13.12 Conclusions 421 Acknowledgement 422 References422 14. Biopolymeric Colloidal Particles Loaded with Polyphenolic Antioxidants 427 A.R. Patel and K.P. Velikov 14.1 Introduction 427 14.2 Polyphenols: Antioxidant Properties and Health Benefits 428 14.3 Polyphenols: Formulation and Delivery Challenges 429 14.4 Polyphenols Loaded Biopolymeric Colloidal Particles 431 14.5 Conclusion 454 References 455 15. Antioxidant Polymers for Tuning Biomaterial Biocompatibility: From Drug Delivery to Tissue Engineering 459 David Cochran and Thomas D. Dziubla 15.1 Introduction 459 15.2 Oxidative Stress in Relation to Biocompatibility 460 15.3 Antioxidant Polymers in Drug Delivery 467 15.4 Antioxidant Polymers in Anti-cancer Therapies 470 15.5 Antioxidant Polymers in Wound Healing and Tissue Engineering 472 15.6 Conclusions and Perspectives 476 References 479 Index 485

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Book SynopsisThis publication provides an excellent one-stop resource for understanding the most important current issues in the research and advances in sintering science and technology.Table of ContentsPreface vii POWDER SYNTHESIS AND SINTERING Deposition of Platinum Nanoparticles onto Copper Foils by Electrophoresis: A Study of the Sintering Dynamics at the Platinum-Copper Interface 3 Deborah C. Blaine, Alexander llchev, Leslie Petrik, Patrick Ndungu, and Alexander Nechaev Pressureless Sintering and Piezoelectric Properties of Mechanochemically Synthesized K0 5Na0 5Nb03 Powder Compacts 17 Jung-Yeul Yun, Si-Young Choi, Min-Soo Kim, and Suk-Joong L. Kang Synthesis of Polycrystalline Sr2Fe1+xMo1_x06 Samples Produced by Solid-State Reaction 25 Reginaldo Mondragon, Ricardo Morales, Jose Lemus-Ruiz, and Oracio Navarro INTERFACIAL REACTION AND SINTERING Effects of Chemicophysical Properties of Carbon on Bloating Characteristics of Artificial Lightweight Aggregates using Coal Ash 35 Shin-hyu Kang, Ki-gang Lee, Yoo-taek Kim, and Seung-gu Kang Sintering of Silicon, Effect of the Sample Size on Silica Reduction Kinetics and Densification 43 J.M. Lebrun, J.M. Missiaen, and C. Pascal MICROSTRUCTURAL EVOLUTION AND PHYSICAL PROPERTIES Cermets Based on New Submicron Ti (C,N) Powder: Microstructural Development During Sintering and Mechanical Properties 57 A. Demoly, C. Veitsch, W. Lengauer, and K. Rabitsch Grain Growth of ß-Si3N4 using Y203 and Al203 as Sintering Aids 71 Leonel Ceja-Cärdenas, Jose Lemus-Ruiz, Sebastian Diaz de la Torre, Egberto Bedolla-Becerril Suppression of Sintering Defects in Metal/Ceramic Graded Layers by using Inhomogeneous Powder Mixtures 79 K. Shinagawa and Y. Sakane Co-Sintering of an Anode-Supported SOFC Based on Scandia Stabilized Zirconia Electrolyte 91 T. Reynier, D. Bouvard, C.P. Carry, and R. Laucournet Bulk Doping Influence on Grain Size and Response of Conductometric Sn02-Based Gas Sensors: A Short Survey 101 G. Korotcenkov and B.K. Cho Effect of Glass Additives on the Densification and Mechanical Properties of Hydroxyapaptite Ceramics 115 Jiangfeng Song, Yong Liu, Ying Zhang, and Zhi Lu UNCONVENTIONAL SINTERING PROCESSES Field Assisted Sintering of Nanometric Ceramic Materials 13 U. Anselmi-Tamburini, F. Maglia, and I. Tredici 3 Fabrication of Copper-Graphite Composites by Spark Plasma Sintering and Its Characterization 151 Bunyod Allabergenov, Oybek Tursunkulov, Soo Jeong Jo, Amir Abidov, Christian Gomez, Sung Bum Park, and Sungjin Kim Densification and Microstructure Changes of Ceramic Powder Blends during Microwave Sintering 163 Audrey Guyon, Jean-Marc Chaix, Claude Paul Carry, and Didier Bouvard Densification of U02 Via Two Step Sintering 173 J. Vidal, M. Zemek, and P. Blanchart Effect of Two-Step Sintering on Optical Transmittance and Mechanical Strength of Polycrystalline Alumina Ceramics 185 Hyung Soo Kim, Young Do Kim, and Sang Woo Kim Author Index 193

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Book SynopsisThis publication provides an excellent one-stop resource for understanding the most important current issues in the research and advances in inorganic phosphate materials.Table of ContentsPreface ix The Phosphates of the World and the World of Phosphates 1 Gilles Le Flem Structural Complexity and Dimensional Flexibility of Gallium Dialkylphosphonates 15 Yue Zhao, Barry J. Davis Jr., Cynthia S. Day, and Abdessadek Lachgar Preparation of P-N Compounds and Their Application to Fireproofing Substance 27 Makoto Watanabe Physical and Chemical Properties of Apatite Electrets for Biomedical and Energy Applications 39 Naohiro Horiuchi and Kimihiro Yamashita Crystal Structure of Layered Triphosphate MnH2P3O10-2H2O 45 L.S. Ivashkevich, A. F. Selevich, and A. S. Lyakhov The Crystal Structure of VNH4HP3O10 51 L.S. Ivashkevich, E.A. Abramovich, A.F. Selevich, and A.S. Lyakhov Chemical Synthesis and Characterization of Functionalized Hydroxyapatite (CAHAP)-(2-Carboxylethylphosphonic Acid (2-CEPA) 57 Hassen Agougui, Abdallah Aissa, and Mongi Debbabi Ionic Conductivity and Thermal Structure Stability of a-A Na3[PMo9031(H20)3]-13H20 71 Eri Ishikawa, Yuji Hayashi, Kenichi Imaeda, Yasushi Miyata, Makoto Sakurai, and Makoto Watanabe Cesium Containing ß-Tridymite Type Phosphates Ceramics: Synthesis, Structure and Thermal Behavior 83 V. I. Pet'kov, I. V. Korchemkin, E. A. Asabina, A. R. Zaripov, V. N. Chuvil'deev, V. S. Kurazhkovskaya, and.E. Yu. Borovikova Solid State Properties of Alkali-Metal Salts of 4-Electron Reduced 12-Molybdophosphiric Acid 93 Kenichi Imaeda, Shingo Sada, and Eri Ishikawa Evaluation of Lithium Manganese Iron Phosphate Thermal Stability 101 Dee Strand, Bruce Gerhart, Brian Landes, Brandon Kern, Andrew Pasztor, Brian Nickless, and Amber Wallace 7Li and 31P Nuclear Magnetic Resonance Studies of Single Crystal LiMP04 (M = Co, Fe) 117 P. E. Stallworth, R. Samueli, P. Sideris, D. Vaknin, and S. G. Greenbaum Mesoporous Iron Aluminophosphate: An Efficient Catalyst for One Pot Synthesis of Amides by Ester-Amide Exchange Reaction 127 A. V. Vijayasankar, H. Kathyayini, Harikrishna Tumma, and N. Nagaraju Synthesis and Catalytic Activity of Aluminum—Rare Earth Phosphates 141 Hiroaki Onoda and Masayuki Fujita Preparation of Various Highly Concentrated Phosphate Solutions by C02 Gas Blowing 153 Nami Nakamori, Nobuyuki Nishimiya, Takeshi Toyama, and Brahim Elouadi Effect of Anion on the Catalytic Activity of Cobalt Aluminophosphate in the Synthesis of N, N-Biphenyl Urea Derivatives 159 M. Rekha and N. Nagaraju Phosphosilicate Glasses Based on Moroccan Natural Phosphate 169 D. Dhiba, A. Kossir, N. Semlal, and A. Nadiri Preparation and Properties of Amorphous Cu/Zn/AI Mixed Phosphates 175 A. Hamza and N. Nagaraju Novel Recovery Process of Phosphate from Sewage Sludge Ash by Carbon Dioxide Blowing 187 Takeshi Toyama, Nami Nakamori, and Nobuyuki Nishimiya Phosphate Geopolymers for Nuclear Waste Immobilization and Storage, and other Structural Materials Applications 195 Arun S. Wagh Flexibility and Acid Solubility of Porous Hydroxyapatite-Alginate Composite-Effect of Calcium Deficiency and Cross-Linking Ion 203 Soichiro Tsukuda, Tomohiro Umeda, Seiichiro Koda, and Kiyoshi Itatani Author Index 215

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Book SynopsisThe most up-to-date, comprehensive volume on cathodic protection available The causes and results of corrosion in industrial settings are some of the most important and difficult problems that engineers and scientists face on a daily basis. Coming up with solutions, or not, is often the difference between success and failure, and can have severe economic and environmental consequences. This timely volume covers the state of the art in corrosion chemistry today, for use in industrial applications or as a textbook. Cathodic Protection: Covers the theoretical aspects of cathodic protection and the science of the process Provides practical, workable solutions to the everyday problems that engineers working in the field have with corrosion Is applicable in many different industries, literally anywhere there might be corrosion As a companion to his first book, Corrosion Chemistry, published by Wiley-ScrTable of ContentsAcknowledgments xv Preface xvii 1. Corrosion of Materials 1 2. Factors Influencing Corrosion 18 3. Corrosion Mechanisms 25 4. Corrosion Types 35 5. Thermodynamics of Corrosion 75 6. Corrosion Prevention and Protection 97 7. Cost of Corrosion 127 8. Cathodic Protection 131 9. Sacrificial Anode or Galvanic Cathodic Protection Systems 157 10. Impressed Current Cathodic Protection Systems 179 11. Corrosion and Corrosion Prevention of Concrete Structures 201 12. Cathodic Protection of Reinforced Concrete Steels 223 13. Corrosion in Petroleum Industry 231 14. Corrosion in Pipeline Systems 247 15. Cathodic Protection of Pipeline Systems 255 16. Corrosion and Cathodic Protection of Crude oil or Petroleum Storage Tanks 269 17. Corrosion and Cathodic Protection of Metallic Structures in Seawater 279 18. Cathodic Protection of the Potable water Tanks 295 19. Corrosion and Corrosion Prevention in Boliers 297 20. Corrosion and Corrosion Prevention in Geothermal Systems 305 References 309 Index 327

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Book SynopsisThis book will focus on lignocellulosic fibres as a raw material for several applications. It will start with wood chemistry and morphology. Then, some fibre isolation processes will be given, before moving to composites, panel and paper manufacturing, characterization and aging.Table of ContentsPreface xxi Part 1: Wood and Fibres: Raw Materials 1 Introduction and State-of-the-Art 3 Mohamed Naceur Belgacem and Antonio Pizzi 2 Wood and Wood Fiber Characteristics: Moisture, Biological, Thermal and Weathering 7 Roger M. Rowel 2.1 Introduction 7 2.2 Moisture 8 2.3 Biological 20 2.4 Thermal 30 2.5 Fire Retardants 36 2.6 Weathering 41 References 45 3 Chemical Composition and Properties of Wood 49 Tatjana Stevanovic 3.1 Introduction 49 3.2 Cellulose 50 3.3 Hemicelluloses of Wood 68 3.4 Lignin(s) 80 3.5 Wood Extractives 96 References 103 4 Recycled Fibers 107 Nathalie Marlin and Bruno Carre 4.1 The Context and the Key Data 107 4.2 Recovered Paper and Board Grades 110 4.3 Unit Operations for Paper Recycling Processes 113 4.4 Recycling and Deinking Lines 119 4.5 Deinked Pulp Quality and Controls 122 4.6 The Limits of Paper Recycling 129 Acknowledgement 129 References 130 5 Recovered Papers Deinking by Froth Flotation 133 Davide Beneventi, Jeremy Allix, Patrice Nortier and Elisa Zeno 5.1 Introduction 133 5.2 Mass Transfer Mechanisms 135 5.3 Control of Process Performance by Chemical Additives 143 5.4 Flotation Deinking Process Modeling 149 References 152 6 High-Yield Pulps: An Interesting Concept for Producing Lignocellulosic Fibers 157 Michel Petit-Conil, Michael Lecourt and Valrie Meyer 6.1 Introduction 157 6.2 History of Mechanical Pulping 158 6.3 Principles of Mechanical Pulping Processes and Quality of Pulps 161 6.4 Quality of Mechanical Pulping Processes 171 6.5 Industrial Production of Mechanical Pulps 176 6.6 Bleaching of Mechanical Pulps 181 6.7 New Technologies under Development 185 6.8 Conclusion 201 References 201 7 Kraft Pulping 207 Dominique Lachenal 7.1 Introduction 207 7.2 Chemical Reagents 208 7.3 Mechanism of Delignification 209 7.4 Degradation of Carbohydrates during Kraft Pulping 213 7.5 Composition of Kraft Pulps 216 7.6 Improvement of the Kraft Process 217 7.7 Recovery of Cooking Reagents 220 7.8 Conclusion 222 References 222 8 Sulphite Pulping 225 Dmitry V. Evtuguin 8.1 Introduction 225 8.2 Brief History of Pulping Processes 227 8.3 Sulphite Pulping Chemicals 228 8.4 General Aspects of Sulphite Pulping 230 8.5 Reactions of Sulphite Pulping 234 References 243 Part 2: Wood and Fibres: Composites and Panels 9 Synthetic Adhesives for Wood Fibers and Composites: Chemistry and Technology 247 A. Pizzi 9.1 Introduction 247 9.2 Urea-Formaldehyde (UF) Adhesives 248 9.3 Melamine-Formaldehyde (MF) and Melamine-Urea-Formaldehyde (MUF) Adhesives 252 9.4 Phenolic Resins 255 9.5 Resorcinol Adhesives 259 9.6 Thermosetting Adhesives Based on Natural Resources 262 9.7 Isocyanate and Polyurethane Wood Adhesives 263 9.8 Chemistry of Isocyanate Wood Adhesives 263 9.9 Technology of Isocyanate Adhesives 264 9.10 Conditions of Application of Isocyanate Adhesives for Wood 269 9.11 Emulsion Polymer Isocyanates (EPI) 270 9.12 Polyvinyl Acetate (PVAc), EVAs and Acrylics 271 9.13 Hot Melts 272 References 273 10 Natural Adhesives, Binders and Matrices for Wood and Fiber Composites: Chemistry and Technology 277 A. Pizzi 10.1 Introduction 277 10.2 Tannin Adhesives 278 10.3 Lignin Adhesives 282 10.4 Mixed Tannin-Lignin Adhesives and Resins 285 10.5 Protein Adhesives 286 10.6 Carbohydrate Adhesives 287 10.7 Unsaturated Oil Adhesives 287 10.8 Wood Welding without Adhesives 289 10.9 Alternative Systems to Weld Wood 299 References 301 11 Chemically-Based Modern Wood Composites 305 Gerd Wegener and Elisabeth Windeisen 11.1 Introduction 305 11.2 Conventional Concepts and Products 305 11.3 New Concepts and Products 306 11.4 Outlook 310 References 310 12 Chemical Modification of Solid Wood 313 Philippe Gerardin 12.1 Introduction 313 12.2 Chemical Modifications Involving the Use of Chemicals 314 12.3 Chemical Modifications Using Heat Treatments 317 12.4 Conclusions 320 References 321 13 Modification of Natural Fibers Using Physical Technologies and Their Applications for Composites 323 Stephane Molina 13.1 Introduction 323 13.2 Wave and Radiation Technologies for Cellulosic Fiber Surface Modification 325 13.3 Physicochemical Technologies for Surface Modification of Cellulosic Fibers 334 13.4 Mechanical and Thermomechanical Technologies for Surface Modification of Cellulosic Fibers 335 13.5 Conclusions 340 References 340 14 Wood and Fiber-Based Composites: Surface Properties and Adhesion 345 Douglas Gardner, Gloria Oporto, and William Tze 14.1 Introduction: Practical Significance of Surface Properties and Adhesion 345 14.2 Adhesion Theories and Mechanisms 346 14.3 Interfacial Phenomena in Wood and Fiber Adhesion 347 14.4 Adhesion Interactions as a Function of Length Scale 349 14.5 Wood Bonding Considerations 350 14.6 Wood and Fiber Surface Properties 352 14.7 Wood Surface Modification 354 14.8 Analytical Techniques to Measure Wood and Fiber Surface Properties 359 References 378 15 Wood and Fiber Panels Technology 385 A.Pizzi 15.1 Introduction 385 15.2 Wood as a Substrate 385 15.3 Wood Plasticization 386 15.4 Types of Wood Panels 387 15.5 Influence of the Adhesive in Wood Panel Bonding 388 15.6 Influence of Wood in Wood Panel Production 389 15.7 Production Condition Parameters in Wood Panel Gluing 391 15.8 Correlation between Pressing Parameters and Physical Properties 398 References 402 Part 3: Wood and Fibres: Paper 16 Rheology: From Simple Fluids to Complex Suspensions 407 Raj P. Chhabra 16.1 Introduction 407 16.2 Classification of Fluid Behavior 409 16.3 Time-independent Fluid Behavior 412 16.4 Time-dependent Behavior 419 16.5 Viscoelastic Behavior 421 16.6 Small Amplitude Oscillatory Shear Motion 423 16.7 Elongational Flow 424 16.8 Rheology of Suspensions 427 16.9 Origins of Non-Newtonian Behavior 432 16.10 Implications in Engineering Applications 435 16.11 Concluding Summary 436 Acknowledgement 436 Nomenclature 436 References 437 17 Papermaking and Wet-End Chemistry 439 Eder Siqueira, Evelyne Mauret, Raphael Passas and Mohamed Naceur Belgacem 17.1 Introduction 439 17.2 Wet-end Chemicals, Fillers and Pigments: General Considerations 440 17.3 Functional Additives 444 17.4 Processing Aids 455 References 460 18 Paper Winding 463 David R. Roisutn 18.1 Introduction 463 18.2 Winder Types Found in a Paper Mill 464 18.3 Winder Classes and Types 464 18.4 Effect of Winder Classes and Types on Wound Roll Tightness 466 18.5 Roll Structure Theory and Control Curves 466 18.6 Tightness and Roll Quality Measurement 467 18.7 Winding Theory Stresses inside the Roll 469 18.8 Winding Defects 470 18.9 The Reel 471 18.10 Two-Drum Winders 472 18.11 Duplex Winders 473 18.12 Other Operations near the Rewinder 474 18.13 Automation and Productivity 474 18.14 Profile and Moisture 477 18.15 Paper Mills'Customers 478 18.16 Learning More about Winding 479 Abbreviations used in this section 479 References 479 19 Surface Treatments of Paper 481 Mohamed Naceur Belgacem and Julien Bras 19.1 Surface Sizing of Paper 481 19.2 Paper Coating 481 19.3 Specialty Papers by Coating 486 19.4 Coating Machines 489 References 491 20 Calendering of Papers and Boards: Processes and Basic Mechanisms 493 Didier Chaussy and David Guerin 20.1 Introduction 493 20.2 Calendering Processes 494 20.3 Applying Pressure in a Nip 505 20.4 Heat Transfer in the Nip 511 20.4.1 Heat Transfer Balance 511 20.5 Effect of Calendering on Paper Structure and Surface Properties 518 20.6 Conclusions and Trends in Calendering 525 References 526 21 Color and Color Reversion of Cellulosic and Lignocellulosic Fibers 531 Alain Castellan and Stephane Grelier 21.1 Introduction 531 21.2 Lignin-Free Cellulosic Fibers (Chemical Pulps) 532 21.3 Lignin-rich Cellulosic Fibers (High-yield Pulps) 539 21.4 Conclusion 549 References 549 Part 4 Wood and Fibres: Properties 22 Fire Behavior of Timber and Lignocellulose 555 Pedro Reszka and Jose L. Torero 22.1 Introduction 555 22.2 Wood in Structures 557 22.3 Basic Definition of Fire Growth 560 22.4 Degradation 561 22.5 Experimental Studies on Wood Behavior in Fire 567 22.6 Modeling Wood Behavior in Fire 570 22.7 Flammability Assessment Methods 571 22.8 The Role of Fire Retardants 22.9 Summary 577 References 578 23 Testing and Evaluation of Fire-retardant-treated Wood Products 583 Robert H. White 23.1 Introduction 583 23.2 Conditioning of Specimens 584 23.4 Regulatory Test Methods 587 23.5 Product Specific Regulatory Test Methods 588 23.6 Other Fire Test Methods 589 23.7 Tests for Smoke Obscuration 589 23.8 Other Properties of Fire-retardant-treated Wood 589 23.9 Specifications for Fire-retardant-treated Wood Products 590 23.10 Tests for Commonly Used Fire-retardant Chemicals 590 23.11 Concluding Remarks 591 References 591 24 Modern Timber Houses 595 Andreas Miiller, Hans-Peter Kolb and Maurice Brunner 24.1 Introduction 595 24.2 Tradition and Development of the Swiss Timber House 595 24.3 Timber House Systems 597 24.4 Heat Insulation and Protection against Moisture 600 24.5 Sound Protection 602 24.6 Fire Protection 604 24.7 Multistory Timber Buildings 606 24.8 Conclusions 609 References 610 25 Paper Characterization and Testing 611 Jean-Francis Block 25.1 Introduction and General Considerations 611 25.2 Composition and Structure 612 25.3 Mechanical Properties 616 25.4 Optical Properties 622 Suggested Literature 627 References 627 26 Dimensional Stabilization of Wood and Wood Composites 629 Michael Boonstra 26.1 Introduction 629 26.2 Thermal Modification 633 26.3 Chemical Modification 640 26.4 Wood Polymer Composites (WPC) 648 26.5 Other Applications 651 References 652 Index 657

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Book SynopsisThis comprehensive book will provide both fundamental and applied aspects of adhesion pertaining to microelectronics in a single and easily accessible source.Table of ContentsPreface xiii Acknowledgements xvi Part 1: Adhesion: Fundamentals and Measurement 1 Study of Molecular Bonding or Adhesion by Inelastic Electron Tunneling Spectroscopy, with Special Reference to Microelectronics 3 Robert R. Mallik 1.1 Introduction 3 1.2 Principles of IETS 6 1.3 Application of IETS in Microelectronics 13 1.4 Prospects 24 1.5 Summary 26 References 27 2 Adhesion Measurement of Thin Films and Coatings: Relevance to Microelectronics 33 Wei-Sheng Lei and Ajay Kumar 2.1 Introduction 33 2.2 Mechanical Methods 36 2.3 Laser Based Techniques 51 2.4 Summary and Remarks 56 References 59 Part 2: Ways to Promote/Enhance Adhesion 3 Tailoring of Interface/Interphase to Promote Metal-Polymer Adhesion 67 Jörg Friedrich 3.1 Introduction 67 3.2 New Concepts for Ideal Design of Metal-Polymer Interfaces with Covalently Bonded Flexible Spacer Molecules 87 3.3 Situation at Al Oxide/Hydroxide Surfaces Using Aluminium as Substrate 92 3.4. Adhesion Promotion by Non-specific Functionalization of Polyolefin Surfaces 94 3.5 Methods for Producing Monosort Functional Groups at Polyolefin Surfaces 103 3.6 Reactions and Bond Formation at the Interface 110 3.7 Grafting of Spacer Molecules at Polyolefin Surfaces 112 3.8 Summary and Conclusions 121 Acknowledgement 123 References 123 4 Atmospheric and Vacuum Plasma Treatments of Polymer Surfaces for Enhanced Adhesion in Microelectronics Packaging 137 Hang Yu, Yiyuan Zhang, Anita Wong, Igor M. De Rosa, Han S. Chueh, Misha Grigoriev, Thomas S. Williams, Tommy Hsu, and Robert F. Hicks 4.1 Introduction 137 4.2 Plasma Fundamentals 139 4.3 Survey of Vacuum Plasma Treatment of Polymers 146 4.4 Survey of Atmospheric Pressure Plasma Treatment of Polymers 151 4.5 Atmospheric Pressure Plasma Activation of Polymer Materials Relevant to Microelectronics 153 4.6 Vacuum Versus Atmospheric Plasmas for Use in Semiconductor Packaging 165 References 166 5 Isotropic Conductive Adhesive Interconnect Technology in Electronics Packaging Applications 173 James E. Morris and Liang Wang 5.1 Introduction 173 5.2 ICA Technology 174 5.3 Technology Reviews 176 5.4 Electrical Properties 176 5.5 Mechanical Properties 180 5.6 Thermal Properties 181 5.7 Metallic Filler 181 5.8 Polymer Materials 184 5.9 Reliability 186 5.10 Dispensation 188 5.11 Environmental Properties 189 5.12 Other Results 189 5.13 Summary 190 5.14 Prospects 190 References 191 Part 3: Reliability and Failure Mechanisms 6 Role of Adhesion Phenomenon in the Reliability of Electronic Packaging 213 Puligandla Viswanadham 6.1 Introduction 214 6.2 Hierarchy of Electronic Packaging. 216 6.3 Substrates, Carriers, and Laminates 217 6.4 Flexible Laminates 236 6.5 First Level Packaging /Semiconductor Packaging 237 6.6 Second Level Packaging 247 6.7 Reliability Enhancements 256 6.8 Thermal Management 260 6.9 Summary 261 Acknowledgements 262 References 252 Suggested Reading 262 References 262 7 Delamination and Reliability Issues in Packaged Devices 267 Wei-Sheng Lei and Ajay Kumar 7.1 Introduction 267 7.2 Basic Aspects of Delamination Failure 269 7.3 Evaluation of Delamination Initiation in Electronic Packages 280 7.4 Evaluation of Delamination Propagation in Electronic Packages 290 7.5 Summary 304 References 305 8 Investigation of the Mechanisms of Adhesion and Failure in Microelectronic Packages 313 Tanweer Ahsan and Andrew Schoenberg 8.1 Introduction 313 8.2 Thermal Methods of Characterizatio 314 8.3 Stresses in Encapsulated Devices 320 8.4 More on Adhesion of Molding Compounds - Surface Chemical and Morphological Aspects 332 8.5 Summary 337 References 338

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Book SynopsisThe past decade has seen a significant increase of research aimed at discovering new drugs for treating cancer, and the increasing number of new antineoplastic drugs approved by regulatory agencies reflects this. Until now, details on the synthesis of these newer agents have been scattered in various journals and in US and European patents. This timely volume deals with the organic chemistry involved in the synthesis of the agents found within antineoplastic drugs, including descriptions of the synthetic schemes for the preparation of over 200 compounds that have been granted non-proprietary names. Compounds are collected in chapters based on the mechanism of action rather than on their chemical structures. Each individual chapter is preceded by a brief description of that mechanism and includes detailed flow charts of the preparation of those compounds accompanied by discussions of the organic chemistry involved in each step. The first half of this volume is dedicated to the synthesesTable of ContentsPreface ix Introduction xi 1 Alkylating Agents 1 1.1 bis-Chloroethyl Amines 1 1.2 Several Other Chloroethyl Agents 5 1.3 Platinum-Based Antineoplastic Agents 6 1.4 Miscellaneous Alkylating Agents 8 2 Antimetabolites 13 2.1 Introduction 13 2.2 Folate Antagonists 14 2.3 Pyrimidines and Purines 21 3 Hormone Blocking Anticancer Drugs 31 3.1 Introduction 31 3.2 Estrogen Antagonists 32 3.3 Androgen Antagonists 44 4 Topoisomerase Inhibitors 55 4.1 Introduction 55 4.2 Anthracyclines 56 4.3 Anthraquinones and Anthrapyrazoles 59 4.4 Camptothecins 65 4.5 Miscellaneous Topoisomerase Inhibitors 74 5 Mitotic Inhibitors 81 5.1 Introduction 81 5.2 Taxanes 82 5.3 Wholly Synthetic Compounds 86 6 Matrix Metalloproteinase Inhibitors 97 6.1 Introduction 97 6.2 Hydroxamates 98 7 Histone Deacetylase Inhibitors 109 7.1 Introduction 109 7.2 Hydroxamates 110 7.3 Phenylenediamines 113 8 Enzyme Inhibitor, Part I, Tyrosine Kinases 117 8.1 Introduction 117 8.2 Epidermal Growth Factor Inhibitors 118 8.3 VEGF 124 8.4 SRC Nonreceptor Tyrosine Kinase 134 8.5 PDGF 138 8.6 EGF 141 8.7 Other TKI 143 8.8 Janus Kinase Inhibitors 154 9 Enzyme Inhibitors: Part II Additional Targets 161 9.1 Serine–Threonine Kinase Inhibitors 161 9.2 Additional Enzyme Inhibitors 166 10 Miscellaneous Antineoplastic Agents 187 10.1 Acyclic 187 10.2 Monocyclic 188 10.3 Two Linked Rings 190 10.4 Rings on a Chain 191 10.5 Fused Rings 195 Appendix A 203 Combinatorial Chemistry 203 Index of Heterocyclic Sytheses 205 Subject Index 207

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Book SynopsisProvides a tutorial on the computational tools that use mathematical optimization concepts and representations for the curation, analysis and redesign of metabolic networks Organizes, for the first time, the fundamentals of mathematical optimization in the context of metabolic network analysisReviews the fundamentals of different classes of optimization problems including LP, MILP, MLP and MINLPExplains the most efficient ways of formulating a biological problem using mathematical optimizationReviews a variety of relevant problems in metabolic network curation, analysis and redesign with an emphasis on details of optimization formulationsProvides a detailed treatment of bilevel optimization techniques for computational strain design and other relevant problemsTable of ContentsPreface xiii 1 Mathematical Optimization Fundamentals 1 1.1 Mathematical Optimization and Modeling 1 1.2 Basic Concepts and Definitions 7 1.2.1 Neighborhood of a Point 7 1.2.2 Interior of a Set 7 1.2.3 Open Set 8 1.2.4 Closure of a Set 8 1.2.5 Closed Set 8 1.2.6 Bounded Set 8 1.2.7 Compact Set 8 1.2.8 Continuous Functions 9 1.2.9 Global and Local Minima 9 1.2.10 Existence of an Optimal Solution 9 1.3 Convex Analysis 10 1.3.1 Convex Sets and Their Properties 10 1.3.2 Convex Functions and Their Properties 13 1.3.3 Convex Optimization Problems 19 1.3.4 Generalization of Convex Functions 20 Exercises 20 References 22 2 LP and Duality Theory 23 2.1 Canonical and Standard Forms of an LP Problem 23 2.1.1 Canonical Form 24 2.1.2 Standard Form 24 2.2 Geometric Interpretation of an LP Problem 26 2.3 Basic Feasible Solutions 28 2.4 Simplex Method 30 2.5 Duality in Linear Programming 35 2.5.1 Formulation of the Dual Problem 35 2.5.2 Primal‐Dual Relations 38 2.5.3 The Karush‐Kuhn‐Tucker (KKT) Optimality Conditions 39 2.5.4 Economic Interpretation of the Dual Variables 40 2.6 Nonlinear Optimization Problems that can be Transformed into LP Problems 45 2.6.1 Absolute Values in the Objective Function 45 2.6.2 Minmax Optimization Problems with Linear Constraints 46 2.6.3 Linear Fractional Programming 47 Exercises 49 References 50 3 Flux Balance Analysis and LP Problems 53 3.1 Mathematical Modeling of Metabolism 54 3.1.1 Kinetic Modeling of Metabolism 54 3.1.2 Stoichiometric-Based Modeling of Metabolism 54 3.2 Genome‐Scale Stoichiometric Models of Metabolism 55 3.2.1 Gene–Protein–Reaction Associations 55 3.2.2 The Biomass Reaction 56 3.2.3 Metabolite Compartments 57 3.2.4 Scope and Applications 57 3.3 Flux Balance Analysis (FBA) 57 3.3.1 Cellular Inputs, Outputs and Metabolic Sinks 58 3.3.2 Component Balances 59 3.3.3 Thermodynamic and Capacity Constraints 60 3.3.4 Objective Function 61 3.3.5 FBA Optimization Formulation 62 3.4 Simulating Gene Knockouts 67 3.5 Maximum Theoretical Yield 68 3.5.1 Maximum Theoretical Yield of Product Formation 68 3.5.2 Biomass vs. Product Trade‐Off 69 3.6 Flux Variability Analysis (Fva) 71 3.7 Flux Coupling Analysis 73 Exercises 77 References 78 4 Modeling with Binary Variables and MILP Fundamentals 81 4.1 Modeling with Binary Variables 83 4.1.1 Continuous Variable On/Off Switching 83 4.1.2 Condition‐Dependent Variable Switching 83 4.1.3 Condition‐Dependent Constraint Switching 84 4.1.4 Modeling AND Relations 84 4.1.5 Modeling OR Relations 86 4.1.6 Exact Linearization of the Product of a Continuous and a Binary Variable 86 4.1.7 Modeling Piecewise Linear Functions 87 4.2 Solving Milp Problems 89 4.2.1 Branch‐and‐Bound Procedure for Solving MILP Problems 90 4.2.2 Finding Alternative Optimal Integer Solutions 97 4.3 Efficient Formulation Strategies for Milp Problems 97 4.3.1 Using the Fewest Possible Binary Variables 97 4.3.2 Fix All Binary Variables that do not Affect the Optimal Solution 98 4.3.3 Group All Coupled Binary Variables 98 4.3.4 Segregate Binary Variables in Constraints Rather than in the Objective Function 98 4.3.5 Use Tight Bounds for All Continuous Variables 99 4.3.6 Introduce LP Relaxation Tightening Constraints 99 4.4 Identifying Minimal Reaction Sets Supporting Growth 102 Exercises 104 References 106 5 T hermodynamic Analysis of Metabolic Networks 107 5.1 Thermodynamic Assessment of Reaction Directionality 107 5.2 Eliminating Thermodynamically Infeasible Cycles (TICs) 109 5.2.1 Cycles in Cellular Metabolism 109 5.2.2 Thermodynamically Infeasible Cycles 110 5.2.3 Identifying Reactions Participating in TICs 111 5.2.4 Thermodynamics‐Based Metabolic Flux Analysis 111 5.2.5 Elimination of the TICs by Applying the Loop Law 113 5.2.6 Elimination of the TICs by Modifying the Metabolic Model 115 Exercises 116 References 117 6 Resolving Network Gaps and Growth Prediction Inconsistencies in Metabolic Networks 119 6.1 Finding and Filling Network Gaps in Metabolic Models 119 6.1.1 Categorization of Gaps in a Metabolic Model 119 6.1.2 Gap Finding 120 6.1.3 Gap Filling 123 6.2 Resolving Growth Prediction Inconsistencies 126 6.2.1 Quality Metrics for Quantifying the Accuracy of Metabolic Models 127 6.2.2 Automated Reconciliation of Growth Prediction Inconsistencies Using GrowMatch 127 6.2.3 Resolution of Higher‐Order Gene Deletion Inconsistencies 130 6.3 Verification of Model Correction Strategies 132 Exercise 133 References 133 7 Identification of Connected Paths to Target Metabolites 137 7.1 Using Milp to Identify Shortest Paths in Metabolic Graphs 137 7.2 Using Milp to Identify Non‐Native Reactions for the Production of a Target Metabolite 142 7.3 Designing Overall Stoichiometric Conversions 144 7.3.1 Determining the Stoichiometry of Overall Conversion 144 7.3.2 Identifying Reactions Steps Conforming to the Identified Overall Stoichiometry 146 Exercises 151 References 151 8 Computational Strain Design 155 8.1 Early Computational Treatment of Strain Design 156 8.2 Optknock 158 8.2.1 Solution Procedure for OptKnock 159 8.2.2 Improving the Computational Efficiency of OptKnock 164 8.2.3 Connecting Reaction Eliminations with Gene Knockouts 165 8.2.4 Impact of Knockouts on the Biomass vs. Product Trade‐Off 165 8.3 Optknock Modifications 167 8.3.1 RobustKnock 167 8.3.2 Tilting the Objective Function 168 8.4 Other Strain Design Algorithms 168 Exercises 170 References 171 9 N LP Fundamentals 173 9.1 Unconstrained Nonlinear Optimization 173 9.1.1 Optimality Conditions for Unconstrained Optimization Problems 174 9.1.2 An Overview of the Solution Methods for Unconstrained Optimization Problems 176 9.1.3 Steepest Descent (Cauchy or Gradient) Method 176 9.1.4 Newton’s Method 177 9.1.5 Quasi‐Newton Methods 178 9.1.6 Conjugate Gradients (CG) Methods 179 9.2 Constrained Nonlinear Optimization 180 9.2.1 Equality‐Constrained Nonlinear Problems 180 9.2.2 Nonlinear Problems with Equality and Inequality Constraints 186 9.2.3 Karush–Kuhn–Tucker Optimality Conditions 187 9.2.4 Sequential (Successive) Quadratic Programming 189 9.2.5 Generalized Reduced Gradient 192 9.3 Lagrangian Duality Theory 195 9.3.1 Relationships between the Primal and Dual Problems 196 Exercises 196 References 197 10 N LP Applications in Metabolic Networks 199 10.1 Minimization of the Metabolic Adjustment 199 10.2 Incorporation of Kinetic Expressions in Stoichiometric Models 203 10.3 Metabolic Flux Analysis (Mfa) 206 10.3.1 Definition of the Relevant Parameters and Variables 208 10.3.2 Isotopomer Mass Balance 214 10.3.3 Optimization Formulation for MFA 215 Exercises 218 References 220 11 Minlp Fundamentals and Applications 223 11.1 An Overview of the Minlp Solution Procedures 224 11.2 Generalized Benders Decomposition 224 11.2.1 The Primal Problem 225 11.2.2 The Master Problem 226 11.2.3 Steps of the GBD Algorithm 229 11.3 Outer Approximation 230 11.3.1 The Primal Problem 231 11.3.2 The Master Problem 231 11.3.3 Steps of the OA Algorithm 235 11.4 Outer Approximation With Equality Relaxation 236 11.4.1 The Master Problem 237 11.5 Kinetic Optknock 238 11.5.1 k‐OptKnock Formulation 239 11.5.2 Solution Procedure for k‐OptKnock 240 Exercises 242 References 243 Appendix A 245 Index 257

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Book SynopsisWritten by one of the most well-respected teams of scientists in the area of pipelines, this revolutionary approach offers the engineer working in the energy industry the theory, analysis, and practical applications for applying new materials and modeling to the design and effective use of flexible pipes. Recent changes in the codes for building pipelines has led to a boom in the production of new materials that can be used in flexible pipes. With the use of polymers, steel, and other new materials and variations on existing materials, the construction and, therefore, the installation and operation of flexible pipes is changing and being improved upon all over the world. The authors of this work have written numerous books and papers on these subjects and are some of the most influential authors on flexible pipes in the world, contributing much of the literature on this subject to the industry. This new volume is a presentation of some of the most cutting-edge technological advancesTable of ContentsPreface xxi About the Authors xxiii Part I Design and Analysis 1 Flexible Pipes and Limit-States Design 3 1.1 I ntroduction 3 1.2 Applications of Flexible Pipe 3 1.2.1 Metal-Based Flexible Pipes 5 1.2.2 Composite-Based Flexible Pipes 7 1.2.3 D esign Codes and Specifications 10 1.3 Comparison between Flexible Pipes and Rigid Pipes 12 1.3.1 Unbonded Flexible Riser vs. Rigid Steel Riser 12 1.3.2 Flexible Jumper vs. Rigid Steel Jumper 12 1.3.3 Flexible Composite Pipe vs. Rigid Pipe 13 1.3.3.1 Material Costs 14 1.3.3.2 I nstallation Costs 14 1.3.3.3 Operational Costs 15 1.3.3.4 Comparison Example 15 1.4 Failure Mode and Design Criteria 15 1.4.1 Unbonded Flexible Pipe 15 1.4.1.1 Failure Modes 15 1.4.1.2 D esign Criteria 17 1.4.2 Flexible Composite Pipe 20 1.4.2.1 Failure Modes 20 1.4.2.2 D esign Criteria 20 1.5 L imit State Design 24 1.5.1 L imit States 24 1.5.2 Reliability-Based Methods 25 References 26 2 Materials and Aging 29 2.1 I ntroduction 29 2.1.1 Unbonded Flexible Pipes 30 2.1.2 Flexible Composite Pipes 34 vi Contents 2.2 Metallic Material 35 2.2.1 Stainless Steel 35 2.2.2 Carbon Steel 36 2.3 Polymer Material 36 2.3.1 Annulus 36 2.3.2 Chemical Resistance 39 2.3.3 Permeation and Permeation Control Systems 41 2.3.3.1 Theory of Gas Permeation 41 2.3.3.2 Permeation Calculation 42 2.3.4 Anti H2S Layer 44 2.4 Aging 45 2.4.1 N onmetallic Material 46 2.4.2 Metallic Material 48 References 49 3 Ancillary Equipment and End Fitting Design 51 3.1 I ntroduction 51 3.1.1 D esign Criteria 51 3.2 Bend Stiffeners and Bellmouths 53 3.2.1 I ntroduction 53 3.2.2 D esign Criteria and Failure Modes 55 3.2.3 D esign Considerations 56 3.2.4 Bellmouths 57 3.3 Bend Restrictor 58 3.4 Buoyancy Modules 59 3.5 Cathodic Protection 60 3.6 Annulus Venting System 61 3.7 E nd Fittings 63 3.7.1 Unbonded Flexible Pipes 64 3.7.1.1 D esign Criteria 64 3.7.1.2 Metallic Materials 66 3.7.1.3 E nd Fittings by Different Manufacturers 66 3.7.2 Flexible Composite Pipes 68 3.7.2.1 D esign Criteria 70 3.7.2.2 Materials 70 3.7.2.3 E nd Fitting Types 71 3.7.2.4 I nstallation 72 References 74 4 Reliability-Based Design Factors 75 4.1 Introduction 75 4.2 Failure Probability 76 4.2.1 L imit State and Failure Mode 76 4.2.2 Failure Probability 76 4.3 Safety Factor Based on Reliability 77 4.3.1 Uncertainties of Resistance and Load Effect 78 4.3.2 L RFD Formulation 79 4.3.3 D esign Process 79 Contents vii 4.4 D esign Example 82 4.4.1 L imit State Function 83 4.4.1.1 Resistance Model for Inner Pressure Load 83 4.4.1.2 L imit State Function 83 4.4.2 Probability Model of Resistance 83 4.4.2.1 Probability Distribution of Resistance Parameters 83 4.4.2.2 Probability Model of Resistance 84 4.4.3 Probability Model of Load Effect 85 4.4.4 Target Reliability 85 4.4.5 Safety Factor Design Results 85 References 87 Part II Unbonded Flexible Pipes 5 Unbonded Flexible Pipe Design 91 5.1 I ntroduction 91 5.2 Applications of Flexible Pipe 92 5.2.1 Flexible Risers 92 5.2.2 Flexible Flowlines 94 5.2.3 L oading and Offloading Hoses 94 5.2.4 Jumper Lines 96 5.2.5 D rilling Risers 97 5.3 Flexible Pipe System and Components 97 5.3.1 I nterlocked Steel Carcass 98 5.3.2 I nternal Polymer Sheath 99 5.3.3 Armor Layers 99 5.3.3.1 Pressure Armor 99 5.3.3.2 Tensile Armor 100 5.3.3.3 Composite Armor 100 5.3.4 E xternal Polymer Sheath 102 5.3.5 Other Layers and Configurations 102 5.3.6 Main Ancillaries 103 5.3.6.1 E nd Fittings 103 5.3.6.2 Bend Stiffener and Bellmouths 104 5.3.6.3 Bend Restrictor 105 5.3.6.4 Buoyancy Modules 106 5.3.6.5 Annulus Venting System 106 References 106 6 Design and Analyses of Unbonded Flexible Pipe 109 6.1 I ntroduction 109 6.2 Flexible Pipe Guidelines 110 6.2.1 API Specification 17K 110 6.2.2 API Specification 17J 111 6.2.2.1 Safety Against Collapse 112 6.2.2.2 D esign Criteria 112 6.2.3 API RP 17B 112 viii Contents 6.3 Material and Mechanical Properties 113 6.3.1 Properties of Sealing Components 114 6.3.1.1 Polymer 114 6.3.1.2 Steel 114 6.3.1.3 Fibres 115 6.3.2 Properties of Armor Components 115 6.3.2.1 Submerged Weight 116 6.3.2.2 Bending Stiffness and Curvature Radius 116 6.3.2.3 Axial Stiffness and Tension Capacity 116 6.3.2.4 Torque Stiffness and Torque Capacity 117 6.4 Analytical Solutions in Flexible Pipe Design 117 6.4.1 Overview 117 6.4.2 Analytical Modeling of Flexible Pipes 117 6.4.3 Analytical Method of Unbonded Flexible Pipes 118 6.4.4 Axis-Symmetric Behavior 120 6.4.4.1 Kinematic Restraint 120 6.4.4.2 Governing Equations 121 6.4.5 Bending Behavior 122 6.5 FE Analysis of Unbonded Flexible Pipe 123 6.5.1 Static Analysis 123 6.5.2 Fatigue Analysis 124 References 126 7 Unbonded Flexible Pipe Under Internal Pressure 129 7.1 I ntroduction 129 7.2 Analytical Solution 130 7.2.1 Polymeric Layer 131 7.2.2 Helically Wound Steel Layer 132 7.2.3 Assembly of Layers 134 7.3 FE Analysis 134 7.4 Results and Discussion 137 7.4.1 General 137 7.4.2 Axial Tension and End Displacement 138 7.4.3 Hoop Stress 138 7.4.4 Axial Stress 141 7.4.4.1 Axial Stress of Model A and Model B 141 7.4.4.2 Axial Stresses of Model C and Model D_141 7.4.5 Comparison of Mises Stress 144 7.5 Conclusions 145 References 146 8 Unbonded Flexible Pipe Under External Pressure 149 8.1 I ntroduction 149 8.2 Finite Element Analysis 151 8.2.1 Simplification 152 8.2.2 Modeling Description 152 8.2.3 Models with Different Stiffness Ratios 153 8.2.4 Models with Different D/t Ratios 154 Contents ix 8.3 FEM Results and Discussion 155 8.3.1 Prediction of Confined External Pressure 155 8.3.1.1 Same D/t Ratio with Different Stiffness Ratios 155 8.3.1.2 D ifferent D/t Ratios with Different Stiffness Ratios 157 8.3.2 Confined Post-Buckling Behavior 158 8.4 Analytical Solution 158 8.5 Test Study 161 8.5.1 Material Characteristics 162 8.5.2 Confined Collapse Tests 163 8.5.3 Test Results 165 8.6 Comparison of Three Methods 167 8.7 Conclusions 168 References 169 9 Unbonded Flexible Pipe Under Tension 171 9.1 I ntroduction 171 9.2 Tension Load 172 9.2.1 Helical Layer 172 9.2.2 Tube Layer 175 9.2.3 Principle of Virtual Work 175 9.3 Results and Discussion 177 9.4 Parametric Study 180 9.4.1 L ay Angle 181 9.4.2 D iameter-to-Thickness 183 9.5 Conclusions 184 References 185 10 Unbonded Flexible Pipe Under Bending 187 10.1 I ntroduction 187 10.2 Helical Layer within No-Slip Range 188 10.2.1 Geometry of Helical Layer 188 10.2.2 Bending Stiffness of Helical Layer 191 10.3 Helical Layer within Slip Range 192 10.3.1 Critical Curvature 192 10.3.2 Axial Force in Helical Wire within Slip Range 194 10.3.3 Axial Force in Helical Wire within No-Slip Range 194 10.3.4 Bending Stiffness of Helical Layer 196 References 197 11 Unbonded Flexible Pipe Under Tension and Internal Pressure 199 11.1 I ntroduction 199 11.2 Analytical Solution 200 11.3 FE Analysis 200 11.3.1 Case 1: Tension Only 201 11.3.2 Case 2: Internal Pressure Only 202 11.3.3 Case 3: Combined Tension and Internal Pressure 202 x Contents 11.4 Results and Discussion 202 11.5 Conclusions 208 References 208 12 Cross-Sectional Design and Case Study for Unbonded Flexible Pipes 211 12.1 I ntroduction 211 12.2 Cross-Sectional Design 212 12.2.1 General Design Requirements 212 12.2.2 Manufacturing Configuration and Material Qualification 213 12.2.2.1 Carcass 213 12.2.2.2 Pressure Sheath 213 12.2.2.3 Pressure Armor 213 12.2.2.4 Tensile Armor 214 12.2.2.5 Tape 214 12.2.2.6 Shield 214 12.3 Case Study 214 12.3.1 D esign Procedure 214 12.3.2 D esign Requirement 214 12.3.3 D esign Method 215 12.3.3.1 Strength Design for Axisymmetric Loads 215 12.3.3.2 Collapse Resistance Design 216 12.3.4 D esign Results 216 12.3.5 L oad Analysis 217 12.3.6 FE Analysis 218 12.4 Conclusions 219 References 220 13 Fatigue Analysis of Unbonded Flexible Pipe 223 13.1 I ntroduction 223 13.2 Theoretical Approach 224 13.2.1 Assumptions 224 13.2.2 E nvironment Conditions 224 13.2.3 Transposition of Forces and Bending Moments 225 13.2.4 Fatigue Design Criteria 225 13.2.4.1 S-N Curves 225 13.2.4.2 Miner’s rule 225 13.3 Case Study 226 13.3.1 I ntroduction 226 13.3.2 Base Case 227 13.4 Conclusions 230 References 230 Contents xi Part III Steel Reinforced Flexible Pipes 14 Steel Reinforced Flexible Pipe Under Internal Pressure 235 14.1 I ntroduction 235 14.2 Applications 235 14.2.1 Offshore 236 14.2.2 Onshore 236 14.2.3 Rehabilitation 237 14.3 D esign and Manufacturing 237 14.3.1 D esign Codes 237 14.3.2 Manufacturing 237 14.3.2.1 I ntroduction 237 14.3.2.2 I nner and Outer Layers 238 14.3.2.3 Steel Strip Reinforcement Layers 238 14.3.2.4 E nd Fitting 238 14.4 Analytical Solution 240 14.4.1 Mechanical Properties 240 14.4.2 Assumptions 242 14.4.3 Stress Analysis 242 14.4.3.1 L ayer Properties 244 14.4.3.2 Stress-Strain Relations of HDPE Layers 246 14.4.3.3 Stress-Strain Relations of Steel Strip Layers 247 14.4.4 Boundary Condition 248 14.4.4.1 Stress Boundary Condition 248 14.4.4.2 I nterface Condition 248 14.4.4.3 E quilibrium Equation of Axial Force 248 14.4.4.4 Torsion Balance Equation 248 14.5 FE Analysis 249 14.6 Results and Discussion 249 14.6.1 Stress Analysis on Layer 2 249 14.6.2 Stress Analysis Between Layers 252 14.7 Conclusions 253 References 254 15 Steel Reinforced Flexible Pipe Under External Pressure 255 15.1 I ntroduction 255 15.2 E xperimental Tests 256 15.2.1 Material Characteristics 256 15.2.2 Collapse Experiment 256 15.2.3 E xperimental Results 258 15.3 FE Analysis 258 15.4 Simplified Estimation for Collapse Pressure 262 15.5 Parametric Study 264 15.6 Conclusions 266 References 267 xii Contents 16 Steel Reinforced Flexible Pipe Under Pure Tension 269 16.1 I ntroduction 269 16.2 E xperimental Tests 270 16.2.1 Test Processes 270 16.2.2 Test Results and Discussions 270 16.3 FE Analysis 273 16.3.1 E lements and Interactions 273 16.3.2 L oad and Boundary Conditions 274 16.3.3 Material Properties 274 16.4 Comparison and Discussions 275 16.4.1 Comparison between Test and FE Analysis 275 16.4.2 Mechanical Response of PE Layers 276 16.4.3 Mechanical Response of Steel Strips 279 16.5 Conclusions 281 References 282 17 Steel Reinforced Flexible Pipe Under Bending 283 17.1 I ntroduction 283 17.2 FE Analysis 284 17.2.1 Model and Material Properties 284 17.2.2 L oads and Boundary Conditions 285 17.2.3 Analysis Results 285 17.3 Mechanical Behaviors and Discussions 287 17.3.1 I nner PE Layer 287 17.3.2 Outer PE Layer 289 17.3.3 Steel Strip Layers 290 17.4 Conclusions 291 References 291 18 Steel Reinforced Flexible Pipe Under Combined Internal Pressure and Tension 293 18.1 I ntroduction 293 18.2 Analytical Solution 293 18.2.1 Strain Analysis 293 18.2.2 Stress Analysis 294 18.2.3 Boundary Conditions 297 18.3 I nner HDPE layer 297 18.3.1 Reinforcement Layers 298 18.3.2 Outer HDPE Layer 298 18.3.3 E quilibrium Equation 299 18.3.4 Solution Chart 299 18.4 Finite Element Analysis 300 18.4.1 I ntroduction 300 18.4.2 Material Properties 300 18.4.3 FE Model 301 18.4.4 Boundary Conditions 304 Contents xiii 18.5 Results and Discussion 304 18.5.1 Comparison of Methods 304 18.5.2 L oad Steps 305 18.5.3 Axial Tension Followed by Internal Pressure 306 18.5.3.1 Stress Response 306 18.5.3.2 Failure Behavior 306 18.5.4 I nternal Pressure Followed by Axial Tension 307 18.6 Conclusions 309 References 310 19 Steel Reinforced Flexible Pipe Under Combined Internal Pressure and Bending 311 19.1 I ntroduction 311 19.2 Analytical Solution 312 19.3 FE Analysis 316 19.3.1 Finite Element Model 316 19.3.2 Boundary Conditions 316 19.3.3 Analysis Results 317 19.4 Summary 319 References 321 20 Steel Reinforced Flexible Pipe Under Combined Bending and External Pressure 323 20.1 I ntroduction 323 20.2 E xperimental Tests 324 20.2.1 Test Procedure 324 20.2.2 Test Results and Discussions 325 20.3 FE Analysis 326 20.3.1 Finite Element Modeling 327 20.3.2 Comparison of Test and Analysis Results 327 20.4 Analysis Results and Discussions 329 20.5 Conclusions 330 References 331 21 Cross-Sectional Design and Case Study for Steel Reinforced Flexible Pipe 333 21.1 I ntroduction 333 21.2 Mechanical Behaviors 334 21.3 Cross-Sectional Design 335 21.3.1 D esign Requirement 335 21.3.2 Strength Capacity 336 21.4 Case Study 338 21.4.1 General 338 21.4.2 D esign Analysis 339 21.4.2.1 Preliminary Analysis 339 21.4.2.2 FE Analysis 339 21.5 Conclusions 340 References 340 22 Damage Assessment for Steel Reinforced Flexible Pipe 343 22.1 I ntroduction 343 22.2 D amage Analysis of Outer Layer 344 22.2.1 General 344 22.2.2 FE Analysis 344 22.2.3 Material Parameters 345 22.2.4 Modeling of Damage Analysis 346 22.2.5 Analysis Results 347 22.3 I nfluence of Different Intervals 351 22.4 E ffects of Insufficient Strength in Steel Strip 352 References 354 Part IV Bonded Flexible Pipes 23 Bonded Flexible Rubber Pipes 357 23.1 I ntroduction 357 23.1.1 Constructions of Bonded Flexible Pipe 358 23.1.2 Types of Bonded Flexible Pipe 359 23.2 D esign and Applications 360 23.2.1 I ntroduction 360 23.2.2 D esign Criteria 361 23.2.3 Hose Design Activities 361 23.2.4 Bonded Flexible Hose Design 363 23.2.5 E nd Fittings 365 23.2.6 Materials 366 23.2.7 Applications 369 23.3 Failure Modes 371 23.3.1 E arly Failures 372 23.3.2 Random Failures 373 23.3.3 Wear-Down Failures 373 23.3.4 E xamples of Hose Failures 373 23.4 I ntegrity Management 374 23.4.1 Risk Analysis 374 23.4.2 Risk Evaluation Process 374 23.4.3 Actions Following Risk Assessment 375 References 376 24 Nonmetallic Bonded Flexible Pipe Under Internal Pressure 377 24.1 I ntroduction 377 24.1.1 N omenclature 378 24.2 E xperimental Tests 379 24.2.1 Material Properties 379 24.2.2 Burst Tests 380 24.3 Analytical Solution 381 24.3.1 I ntroduction 381 24.3.2 Assumptions 381 xiv Contents Contents xv 24.3.3 Coordinate Systems 382 24.3.4 I nner Layer and Outer Layer 383 24.3.5 Reinforced Layers 385 24.3.6 Boundary Conditions 387 24.3.7 Failure Criterion 388 24.3.8 Burst Pressure Calculation 388 24.4 Finite Element Analysis 389 24.5 Results and Comparison 391 References 392 25 Nonmetallic Bonded Flexible Pipe Under External Pressure 393 25.1 I ntroduction 393 25.2 Analytical Solution of Collapse 394 25.2.1 Kinematics 394 25.2.2 Materials of Each Layer 395 25.2.2.1 PE_395 25.2.2.2 Reinforced Layer 395 25.2.2.3 The Material Plasticity 396 25.2.3 Principle of Virtual Work 397 25.2.4 Amendment of Radius and Wall Thickness 398 25.2.5 Analytical Method 399 25.3 FE Analysis 400 25.3.1 I ntroduction 400 25.3.2 FE Modeling 401 25.4 E xample of Collapse Analysis 401 25.4.1 I ntroduction 401 25.4.2 I nput Data 401 25.4.3 Pressure-Ovality Curves 402 25.5 Sensitivity Analysis 403 25.5.1 E ffect of Initial Imperfections 404 25.5.2 E ffect of Shear Deformation 404 25.5.3 E ffect of Pre-Buckling Deformation 405 References 406 26 Nonmetallic Bonded Flexible Pipe Under Bending 407 26.1 I ntroduction 407 26.2 Analytical Solution 409 26.2.1 Assumptions 409 26.2.2 Kinematics 409 26.2.3 Models of Material 410 26.2.3.1 Mechanical Behaviors of HDPE_410 26.2.3.2 Mechanical Behaviors of Fiber Reinforced Layer 412 26.2.4 Constitutive Model for RTP 415 26.2.5 Principle of Virtual Work 415 26.3 FE Analysis 416 26.4 E xperiment Test 418 xvi Contents 26.5 Results and Discussion 419 26.6 Parametric Studies 421 26.6.1 Wall-Thickness 421 26.6.2 D iameter of Pipe 422 26.6.3 D /t Ratio 422 26.6.4 I nitial Ovality 423 26.7 Conclusions 424 References 424 Appendix 426 27 Nonmetallic Bonded Flexible Pipe Under Combined Tension and Internal Pressure 429 27.1 I ntroduction 429 27.2 N onlinear Analytical Solution 431 27.2.1 Fundamental Assumptions 431 27.2.2 Simplification of Reinforcement Layers 432 27.2.3 Kinematics of a Single Wire 433 27.2.4 D eformation of Cross Section 434 27.2.5 E quilibrium Equation 440 27.2.6 Constitutive Model 442 27.2.7 Solution Method 442 27.3 Finite Element Model 442 27.3.1 Model Design and Meshing 443 27.3.2 Materials 444 27.3.3 Constraints 444 27.3.4 Boundary Conditions and Loadings 445 27.4 Results and Discussion 445 27.4.1 Tension-Extension Relation 445 27.4.2 Stress in Kevlar Wires 446 27.4.3 Radial Deformation 446 27.4.4 D iscussion 446 27.5 Parametric Study 448 27.5.1 I nternal Pressure 449 27.5.2 L ay Angle 450 27.5.3 D /t Ratio 450 27.5.4 Amount of Kevlar Wires 451 27.6 Conclusions 452 References 453 28 Nonmetallic Bonded Flexible Pipe Under Combined External Pressure and Bending 455 28.1 General 455 28.2 I ntroduction 455 28.3 Analytical Solution 457 28.3.1 Kinematics 457 28.3.2 Material Simplification 458 28.3.3 Constitutive Model 462 Contents xvii 28.3.4 Principle of Virtual Work 462 28.3.5 Amendment of Radius and Wall Thickness 463 28.3.6 Solution Method 463 28.4 Finite Element Model 464 28.5 Results and Discussions 465 28.5.1 Collapse of RTP Under External Pressure 465 28.5.2 Collapse of RTP Under Pure Bending 468 28.5.3 Collapse of RTP Under Combined Bending and External Pressure 471 28.6 Conclusions 473 References 474 29 Fibre Glass Reinforced Flexible Pipes Under Internal Pressure 475 29.1 I ntroduction 475 29.2 Analytical Solution 476 29.2.1 Assumptions 476 29.2.2 Stress Analysis 476 29.2.3 Boundary Conditions 479 29.3 Finite Element Analysis 480 29.4 Results and Discussions 481 29.5 Winding Angle 483 29.6 Conclusions 484 References 485 30 Fibre Glass Reinforced Flexible Pipe Under External Pressure 487 30.1 I ntroduction 487 30.2 FE Analysis 488 30.2.1 I ntroduction 488 30.2.2 Geometrical Parameters and Material Properties 489 30.2.3 FE Modeling 490 30.3 Results and Discussions 491 30.3.1 I ntroduction 491 30.3.2 I nitial Imperfection 491 30.3.2.1 I nitial Ovality 491 30.3.2.2 I nitial Wall Eccentricity 492 30.3.3 Geometrical Configurations 494 30.3.3.1 D iameter Over Thickness Ratio D1/t1 of Outer PE Layer 494 30.3.3.2 N umber of Reinforced Layers 495 30.3.3.3 D iameter Over Thickness Ratio D2/t2 of Inner Layer 496 30.3.4 Material 496 30.5 Conclusions 497 References 498 xviii Contents 31 Steel Wire Bonded Flexible Pipe Under Internal Pressure 499 31.1 I ntroduction 499 31.2 Analytical Solution 501 31.2.1 General 501 31.2.2 Stress and Strain Analysis 501 31.2.3 Simplification of Reinforced Layers 503 31.3 Finite Element Analysis 504 31.3.1 General 504 31.3.2 ABAQUS Modeling 504 31.4 Analysis Results 506 31.4.1 Comparison of Strains 506 31.4.2 E ffect of Winding Angle 507 31.5 E xperimental Test 508 31.5.1 General 508 31.5.2 Test Results 508 31.6 E ngineering Burst Pressure Formula 509 References 510 32 Steel Wire Bonded Flexible Pipe Under External Pressure 513 32.1 I ntroduction 513 32.2 Analytical solution 514 32.2.1 Fundamental Assumptions 514 32.2.2 N onlinear Ring Theory 514 32.2.3 Constitutive Relation of Material 516 32.2.4 Principle of Virtual Work Equation 518 32.3 N umerical Simulations 520 32.4 E xperimental Test 523 32.5 Conclusions 525 References 525 33 Steel Wire Bonded Flexible Pipe Under Bending and Internal Pressure 527 33.1 I ntroduction 527 33.2 Analytical Solution 528 33.2.1 Principle of Virtual Work 529 33.2.2 Burst Pressure of PSP in Axial Direction 531 33.2.3 Burst Pressure of PSP in Circumferential Direction 531 33.2.4 Constitutive Model for Materials 532 33.3 N umerical Simulations 535 33.4 Pure Bending Experimental Test 535 33.4.1 Test 535 33.4.2 Results and Discussion 537 33.5 Combined Internal Pressure and Bending Experimental Test 538 33.5.1 Test Facilities 539 33.5.2 Test Procedure 539 33.5.3 Test Results 540 33.6 Comparison of Results 540 33.7 Conclusions 541 References 542 Contents xix 34 Cross-Sectional Design and Case Study for Steel Wire Bonded Flexible Pipe 543 34.1 I ntroduction 543 34.2 Cross-Sectional Design 544 34.2.1 D esign Procedure 544 34.2.2 D esign Parameters 544 34.2.3 Properties and Capacities 546 34.3 Case Study 550 34.4 V alidation by FE Model 551 34.5 Conclusions 555 References 555 35 Damage Assessment for Steel Wire Bonded Flexible Pipes 557 35.1 I ntroduction 557 35.2 Analytical Method 558 35.2.1 Basic Assumptions 558 35.2.2 Stress-Strain Relationship 558 35.3 Finite Element Analysis 564 35.4 Comparison between Analytical Method and FEM 565 35.4.1 E ffect of Steel Wire Winding Angle 567 35.4.2 E ffects of Steel Wire Diameter 568 35.4.3 E ffects of Missing Steel Wire 568 35.4.4 E ffect of Damaged Inner and Outer PE Layers 569 35.4.5 E ffects of Layer Interfacial Peeling 569 35.5 Summary 572 References 573 36 Third-Party Damage for Steel Wire Bonded Flexible Pipe 575 36.1 I ntroduction 575 36.2 Pipeline, Soil and Tamper Parameters 576 36.3 Finite Element Model 577 36.4 L oading and Boundary Conditions 578 36.5 Analysis Results 578 36.5.1 D ynamic Response 579 36.5.2 Tamping Velocity 581 36.5.3 Buried Depth 581 36.6 Summary 583 References 583 Index 585

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Book Synopsis Covers all major modifications, including phosphorylation, glycosylation, acetylation, ubiquitination, sulfonation and and glycation Discussion of the chemistry behind each modification, along with key methods and references Contributions from some of the leading researchers in the field A valuable reference source for all laboratories undertaking proteomics, mass spectrometry and post-translational modification research Table of ContentsList of Contributors xi Preface xv 1 Introduction 1Rebecca Pferdehirt, Florian Gnad and Jennie R. Lill 1.1 Post-translational Modification of Proteins 1 1.2 Global versus Targeted Analysis Strategies 3 1.3 Mass Spectrometric Analysis Methods for the Detection of PTMs 5 1.3.1 Data-Dependent and Data-Independent Analyses 6 1.3.2 Targeted Analyses 7 1.3.3 Multiple Reaction Monitoring 8 1.3.4 Multiple Reaction Monitoring Initiated Detection and Sequencing 9 1.4 The Importance of Bioinformatics 9 Acknowledgements 11 References 11 2 Identification and Analysis of Protein Phosphorylation by Mass Spectrometry 17Dean E. McNulty, Timothy W. Sikorski and Roland S. Annan 2.1 Introduction to Protein Phosphorylation 17 2.2 Analysis of Protein Phosphorylation by Mass Spectrometry 25 2.3 Global Analysis of Protein Phosphorylation by Mass Spectrometry 39 2.4 Sample Preparation and Enrichment Strategies for Phosphoprotein Analysis by Mass Spectrometry 46 2.5 Multidimensional Separations for Deep Coverage of the Phosphoproteome 54 2.6 Computational and Bioinformatics Tools for Phosphoproteomics 57 2.7 Concluding Remarks 65 References 66 3 Analysis of Protein Glycosylation by Mass Spectrometry 89David J. Harvey 3.1 Introduction 89 3.2 General Structures of Carbohydrates 89 3.2.1 Protein-Linked Glycans 90 3.3 Isolation and Purification of Glycoproteins 94 3.3.1 Lectin Affinity Chromatography 95 3.3.2 Boronate-Based Compounds 95 3.3.3 Hydrazide Enrichment 96 3.3.4 Titanium Dioxide Enrichment of Sialylated Glycoproteins 96 3.4 Mass Spectrometry of Intact Glycoproteins 96 3.5 Site Analysis 96 3.6 Glycan Release 98 3.6.1 Use of Hydrazine 99 3.6.2 Use of Reductive β-Elimination 99 3.6.3 Use of Enzymes 100 3.7 Analysis of Released Glycans 102 3.7.1 Cleanup of Glycan Samples 102 3.7.2 Derivatization 102 3.7.2.1 Derivatization at the Reducing Terminus 102 3.7.2.2 Derivatization of Hydroxyl Groups: Permethylation 104 3.7.2.3 Derivatization of Sialic Acids 106 3.7.3 Exoglycosidase Digestions 106 3.7.4 HPLC and ESI 107 3.8 Mass Spectrometry of Glycans 107 3.8.1 Aspects of Ionization for Mass Spectrometry Specific to the Analysis of Glycans 107 3.8.1.1 Electron Impact (EI) 107 3.8.1.2 Fast Atom Bombardment (FAB) 108 3.8.1.3 Matrix-Assisted Laser Desorption/Ionization (MALDI) 108 3.8.1.4 Electrospray Ionization (ESI) 113 3.8.2 Glycan Composition by Mass Spectrometry 114 3.8.3 Fragmentation 114 3.8.3.1 Nomenclature of Fragment Ions 116 3.8.3.2 In-Source Decay (ISD) Ions 116 3.8.3.3 Postsource Decay (PSD) Ions 117 3.8.3.4 Collision-Induced Dissociation (CID) 117 3.8.3.5 Electron Transfer Dissociation (ETD) 118 3.8.3.6 Infrared Multiphoton Dissociation (IRMPD) 118 3.8.3.7 MSn 118 3.8.3.8 Fragmentation Modes of Different Ion Types 119 3.8.4 Ion Mobility 126 3.8.5 Quantitative Measurements 128 3.9 Computer Interpretation of MS Data 128 3.10 Total Glycomics Methods 130 3.11 Conclusions 131 Abbreviations 131 References 133 4 Protein Acetylation and Methylation 161Caroline Evans 4.1 Overview of Protein Acetylation and Methylation 161 4.1.1 Protein Acetylation 161 4.1.2 Protein Methylation 162 4.1.3 Functional Aspects 163 4.1.4 Mass Spectrometry Analysis 163 4.2 Mass Spectrometry Behavior of Modified Peptides 164 4.2.1 MS Fragmentation Modes 164 4.2.2 Acetylation- and Methylation-Specific Diagnostic Ions in MS Analysis 165 4.2.3 Application of MS Methodologies for the Analysis of PTM Status 168 4.2.4 Quantification Strategies 169 4.2.4.1 Single Reaction Monitoring/Multiple Reaction Monitoring 170 4.2.4.2 Parallel Reaction Monitoring 171 4.2.4.3 Data-Independent Acquisition MS 172 4.2.4.4 Ion Mobility MS 173 4.2.5 Use of Stable Isotope–Labeled Precursors 174 4.2.5.1 Dynamics of Acetylation and Methylation 174 4.2.5.2 Stoichiometry of Acetylation and Methylation 175 4.3 Global Analysis 176 4.3.1 Top-Down Proteomics 176 4.3.2 Middle Down 177 4.4 Enrichment 178 4.4.1 Immunoaffinity Enrichment 178 4.4.2 Reader Domain-Based Capture 179 4.4.2.1 Kac-Specific Capture Reagents 179 4.4.2.2 Methyl-Specific Capture Reagents 180 4.4.3 Biotin Switch-Based Capture 180 4.4.4 Enrichment of N-Terminally Acetylated Peptides 181 4.5 Bioinformatics 181 4.5.1 Assigning Acetylation and Methylation Status 182 4.5.2 PTM Repositories and Data Mining Tools 183 4.5.3 Computational Prediction Tools for Acetylation and Methylation Sites 183 4.5.4 Information for Design of Follow-Up Experiments 185 4.6 Summary 185 References 185 5 Tyrosine Nitration 197Xianquan Zhan, Ying Long and Dominic M. Desiderio 5.1 Overview of Tyrosine Nitration 197 5.2 MS Behavior of Nitrated Peptides 199 5.3 Global Analysis of Tyrosine Nitration 208 5.4 Enrichment Strategies 214 5.5 Concluding Remarks 221 Acknowledgements 222 Abbreviations 222 References 223 6 Mass Spectrometry Methods for the Analysis of Isopeptides Generated from Mammalian Protein Ubiquitination and SUMOylation 235Navin Chicooree and Duncan L. Smith 6.1 Overview of Ub and SUMO 235 6.1.1 Biological Overview of Ubiquitin-Like Proteins 235 6.1.2 Biological Overview of Ub and SUMO 236 6.1.3 Biological Functions of Ub and SUMO 236 6.2 Mass Spectrometry Behavior of Isopeptides 237 6.2.1 Terminology of a Ub/Ubl isopeptide 237 6.2.2 Mass Spectrometry Analysis of SUMO-Isopeptides Derived from Proteolytic Digestion 238 6.2.3 Analysis of SUMO-Isopeptides with Typical Full-Length Tryptic Iso-chains 238 6.2.4 Analysis of SUMO-Isopeptides with Atypical Tryptic Iso-chains and Shorter Iso-chains Derived from Alternative Digestion Strategies 244 6.2.4.1 SUMO-Isopeptides with Atypical Iso-chains Generated from Tryptic Digestion 244 6.2.4.2 Dual Proteolytic Enzyme Digestion with Trypsin and Chymotrypsin 247 6.2.4.3 Proteolytic Enzyme and Chemical Digestion with Trypsin and Acid 248 6.2.5 MS Analysis of Modified Ub- and SUMO-Isopeptides under CID Conditions 250 6.2.6 SPITC Modification 251 6.2.7 Dimethyl Modification 252 6.2.8 m-TRAQ Modification 256 6.3 Enrichment and Global Analysis of Isopeptides 259 6.3.1 Overview of Enrichment Approaches 259 6.3.2 K-GG Antibody 260 6.3.3 COFRADIC 262 6.3.4 SUMOylation Enrichment 263 6.4 Concluding Remarks and Recommendations 265 References 267 7 The Deimination of Arginine to Citrulline 275Andrew J. Creese and Helen J. Cooper 7.1 Overview of Arginine to Citrulline Conversion: Biological Importance 275 7.2 Mass Spectrometry-Based Proteomics 279 7.3 Liquid Chromatography and Mass Spectrometry Behavior of Citrullinated Peptides 283 7.4 Global Analysis of Citrullination 288 7.5 Enrichment Strategies 291 7.6 Bioinformatics 296 7.7 Concluding Remarks 297 Acknowledgements 297 References 297 8 Glycation of Proteins 307Naila Rabbani and Paul J. Thornalley 8.1 Overview of Protein Glycation 307 8.2 Mass Spectrometry Behavior of Glycated Peptides 315 8.3 Global Analysis of Glycation 318 8.4 Enrichment Strategies 319 8.5 Bioinformatics 320 8.6 Concluding Remarks 323 Acknowledgements 324 References 324 9 Biological Significance and Analysis of Tyrosine Sulfation 333Éva Klement, Éva Hunyadi-Gulyás and Katalin F. Medzihradszky 9.1 Overview of Protein Sulfation 333 9.2 Mass Spectrometry Behavior of Sulfated Peptides 334 9.3 Enrichment Strategies and Global Analysis of Sulfation 340 9.4 Sulfation Site Predictions 342 9.5 Summary 343 Acknowledgements 344 References 344 10 The Application of Mass Spectrometry for the Characterization of Monoclonal Antibody-Based Therapeutics 351Rosie Upton, Kamila J. Pacholarz, David Firth, Sian Estdale and Perdita E. Barran 10.1 Introduction 351 10.1.1 Antibody Structure 352 10.1.2 N-Linked Glycosylation 354 10.1.3 Antibody-Drug Conjugates 355 10.1.4 Biosimilars 356 10.2 Mass Spectrometry Solutions to Characterizing Monoclonal Antibodies 358 10.2.1 Hyphenated Mass Spectrometry (X-MS) Techniques to Study Glycosylation Profiles 359 10.2.2 Hydrogen/Deuterium Exchange Mass Spectrometry (HDX-MS) to Characterize Monoclonal Antibody Structure 361 10.2.3 Native Mass Spectrometry and the Use of IM-MS to Probe Monoclonal Antibody Structure 365 10.3 Advanced Applications 369 10.3.1 Quantifying Glycosylation 369 10.3.2 Antibody-Drug Conjugates 370 10.3.3 Biosimilar Characterization 372 10.4 Concluding Remarks 374 References 374 Index 387

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Book SynopsisThe book clearly explains the concepts of the drilling engineering and presents the existing knowledge ranging from the history of drilling technology to well completion. This textbook takes on the difficult issue of sustainability in drilling engineering and tries to present the engineering terminologies in a clear manner so that the new hire, as well as the veteran driller, will be able to understand the drilling concepts with minimum effort.Table of ContentsPreface xiii Acknowledgements xv Summary xvii 1 Introduction 1 1.1 Introduction 1 1.2 Introduction to Drilling Engineering 1 1.3 Importance of Drilling Engineering 2 1.4 Application of Drilling Engineering 2 1.5 Multiple Choice Questions 3 1.6 Summary 9 1.7 MCQs (Self-Practices) 9 2 Drilling Methods 15 2.1 Introduction 15 2.2 Different Mathematical Formulas and Examples 15 2.2.1 Power System 15 2.2.2 Hoisting System 24 2.2.3 Circulation System 39 2.3 Multiple Choice Questions 48 2.4 Summary 54 2.5 Exercise and MCQs for Practice 55 2.5.1 Exercises (Solutions are in Appendix A) 55 2.5.2 Exercises (Self-Practices) 57 2.5.3 MCQs (Self-Practices) 59 2.6 Nomenclature 64 3 Drilling Fluids 65 3.1 Introduction 65 3.2 Different Mathematical Formulas and Examples 65 3.2.1 Solid Control 65 3.2.2 Mud Density 70 3.2.3 Mud Viscosity 71 3.2.3.1 Measurement of Mud Viscosity 74 3.2.4 pH Determination 79 3.2.5 Determination of Liquid and Solids Content 80 3.2.6 New Drilling Mud Calculations 81 3.2.7 Design of Mud Weight 83 3.3 Multiple Choice Questions 92 3.4 Summary 97 3.5 Exercise and MCQs for Practice 98 3.5.1 Exercises (Solutions are in Appendix A) 98 3.5.2 Exercises (Self-Practices) 99 3.5.3 MCQs (Self-Practices) 101 3.6 Nomenclature 106 4 Drilling Hydraulics 109 4.1 Introduction 109 4.2 Different Mathematical Formulas and Examples 109 4.2.1 Newtonian Fluid 109 4.2.2 Non-Newtonian Fluid 111 4.2.3 Turbulent Flow 122 4.2.4 Transitional Flow 124 4.2.5 Hydrostatic Pressure Calculation 126 4.2.6 Fluid Flow through Pipes 132 4.2.7 Fluid Flow through Drill Bits 135 4.2.8 Pressure Loss Calculation of the Rig System 137 4.3 Multiple Choice Questions 147 4.4 Summary 152 4.5 Exercise and MCQs for Practice 153 4.5.1 Exercises (Solutions are in Appendix A) 153 4.5.2 Exercises (Self-Practices) 155 4.5.3 MCQs (Self-Practices) 157 4.6 Nomenclature 162 5 Well Control and Monitoring Program 165 5.1 Introduction 165 5.2 Different Mathematical Formulas and Examples 165 5.2.1 Control of Influx and Kill Mud 165 5.2.2 Type of Influx and Gradient Calculation 169 5.2.3 Kill Mud Weight Calculation 170 5.2.4 Kick Analysis 175 5.2.5 Shut-in Surface Pressure 194 5.3 Multiple Choice Questions 199 5.4 Summary 204 5.5 Exercise and MCQs for Practice 205 5.5.1 Exercises (Solutions are in Appendix A) 205 5.5.2 Exercises (Self-Practices) 206 5.5.3 MCQs (Self-Practices) 208 5.6 Nomenclature 213 6 Formation Pore and Fractures Pressure Estimation 215 6.1 Introduction 215 6.2 Different Mathematical Formulas and Examples 215 6.2.1 Underground Stresses 215 6.2.2 Formation Pressure 216 6.2.3 Pore Pressure Estimation 234 6.2.4 Methods for Estimating Fracture Pressure 247 6.3 Multiple Choice Questions 259 6.4 Summary 265 6.5 Exercise and MCQs for Practice 265 6.5.1 Exercises (Solutions are in Appendix A) 265 6.5.2 Exercises (Self-Practices) 267 6.5.3 MCQs (Self-Practices) 269 6.6 Nomenclature 274 7 Basics of Drillstring Design 277 7.1 Introduction 277 7.2 Different Mathematical Formulas and Examples 278 7.2.1 Drillstring Design 278 7.2.2 Bit Design 308 7.2.3 Drilling Optimization Techniques 309 7.2.4 Rate of Penetration Modeling 315 7.3 Multiple Choice Questions 323 7.4 Summary 328 7.5 Exercise and MCQs for Practice 328 7.5.1 Exercises (Solutions are in Appendix A) 328 7.5.2 Exercise (Self-Practices) 329 7.5.3 MCQs (Self-Practices) 331 7.6 Nomenclature 336 8 Casing Design 339 8.1 Introduction 339 8.2 Different Mathematical Formulas and Examples 339 8.2.1 Casing Design Process 339 8.2.2 Calculation of Magnitude of Design Properties 345 8.3 Multiple Choice Questions 370 8.4 Summary 375 8.5 Exercise and MCQs for Practice 375 8.5.1 Exercises (Solutions are in Appendix A) 375 8.5.2 Exercise (Self Practices) 377 8.5.3 MCQs (Self-Practices) 378 8.6 Nomenclature 383 9 Cementing 385 9.1 Introduction 385 9.2 Different Mathematical Formulas and Examples 385 9.2.1 Cement Properties 385 9.2.2 Cement Volume Calculation 393 9.3 Multiple Choice Questions 410 9.4 Summary 415 9.5 Exercise and MCQs for Practice 416 9.5.1 Exercises (Solutions are in Appendix A) 416 9.5.2 Exercise (Self-Practices) 418 9.5.3 MCQs (Self-Practices) 419 9.6 Nomenclature 423 10 Horizontal and Directional Drilling 425 10.1 Introduction 425 10.2 Different Mathematical Formulas and Examples 425 10.2.1 Horizontal Departure 425 10.2.2 Buckling Models in Coiled Tubing 430 10.2.3 Directional Patterns 434 10.2.4 Principles of Surveying 439 10.2.5 Survey Calculations and Plotting Results 444 10.3 Multiple Choice Questions 461 10.4 Summary 466 10.5 Exercise and MCQs for Practice 467 10.5.1 Exercises (Solutions are in Appendix A) 467 10.5.2 Exercise 469 10.5.3 MCQs (Self-Practices) 471 10.6 Nomenclature 475 11 Well Drilling Costs Analysis 477 11.1 Introduction 477 11.2 Different Mathematical Formulas and Examples 477 11.2.1 Authorization for Expenditure 477 11.2.2 Drilling Cost Estimation 481 11.2.3 Well Drilling Time Estimation 486 11.2.4 Future Value Estimation 496 11.2.5 Price Elasticity 499 11.3 Multiple Choice Questions 516 11.4 Summary 519 11.5 Exercise and MCQs for Practice 520 11.5.1 Exercises (Solutions are in Appendix A) 520 11.5.2 Exercise 522 11.5.3 MCQs (Self Practices) 527 11.6 Nomenclature 529 12 Well Completion 531 12.1 Introduction 531 12.2 Multiple Choice Questions 532 12.3 Summary 538 13 Additional Workout Examples 539 13.1 Introduction 539 13.2 Drilling Fluids 539 13.2 Drilling Hydraulics 544 13.3 Well Control 549 13.4 Pore and Fracture Pressure Estimation 554 13.5 Drillstring Design 556 13.6 Casing Design 561 13.7 Cementing 563 13.8 Horizontal and Directional Drilling 565 13.9 Cost Analysis 569 Appendix A: (Solutions of Exercises) 573 Chapter 2: Drilling Methods 573 Chapter 3: Drilling Fluid 593 Chapter 4: Drilling Hydraulics 605 Chapter 5: Well Control and Monitoring Program 624 Chapter 6: Formation Pore and Fractures Pressure Estimation 636 Chapter 7: Basics of Drillstring Design 646 Chapter 8: Casing Design 655 Chapter 9: Cementing 665 Chapter 10: Horizontal and Directional Drilling 676 Chapter 11: Well Drilling Costs Analysis 689 Appendix B: (MCQs Solutions) 701 Chapter 1: Drilling Methods 701 Chapter 2: Drilling Methods 701 Chapter 3: Drilling Fluid 701 Chapter 4: Drilling Hydraulics 702 Chapter 5: Well Control and Monitoring Program 702 Chapter 6: Formation Pore and Fractures Pressure Estimation 702 Chapter 7: Basics of Drillstring Design 702 Chapter 8: Casing Design 702 Chapter 9: Cementing 703 Chapter 10: Horizontal and Directional Drilling 703 Chapter 11: Well Drilling Cost Analysis 703

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Book SynopsisThis comprehensive volume brings together an extensive collection of systematic computer-aided tools and methods developed in recent years for CO2 capture applications, and presents a structured and organized account of works from internationally acknowledged scientists and engineers, through: Modeling of materials and processes based on chemical and physical principlesDesign of materials and processes based on systematic optimization methodsUtilization of advanced control and integration methods in process and plant-wide operations The tools and methods described are illustrated through case studies on materials such as solvents, adsorbents, and membranes, and on processes such as absorption / desorption, pressure and vacuum swing adsorption, membranes, oxycombustion, solid looping, etc. Process Systems and Materials for CO2 Capture: Modelling, Design, Control and Integration should become the essential introductory resource for researchers and industrial practitioners in the fieldTable of ContentsAbout the Editors xvii List of Contributors xix Preface xxvii Section 1 Modelling and Design of Materials 1 1 The Development of a Molecular Systems Engineering Approach to the Design of Carbon–capture Solvents 3Edward Graham, Smitha Gopinath, Esther Forte, George Jackson, Amparo Galindo, and Claire S. Adjiman 1.1 Introduction 3 1.2 Predictive Thermodynamic Models for the Integrated Molecular and Process Design of Physical Absorption Processes 6 1.3 Describing Chemical Equilibria with SAFT 16 1.4 Integrated Computer–aided Molecular and Process Design using SAFT 24 1.5 Conclusions 29 List of Abbreviations 30 Acknowledgments 31 References 31 2 Methods and Modelling for Post-combustion CO2 Capture 43Philip Fosbøl, Nicolas von Solms, Arne Gladis, Kaj Thomsen, and Georgios M. Kontogeorgis 2.1 Introduction to Post]combustion CO2 Capture: The Role of Solvents and Some Engineering Challenges 43 2.2 Extended UNIQUAC: A Successful Thermodynamic Model for CCS Applications 49 2.3 CO2 Capture using Alkanolamines: Thermodynamics and Design 60 2.4 CO2 Capture using Ammonia: Thermodynamics and Design 61 2.5 New Solvents: Enzymes, Hydrates, Phase Change Solvents 62 2.6 Pilot Plant Studies: Measurements and Modelling 69 2.7 Conclusions and Future Perspectives 69 List of Abbreviations 74 Acknowledgements 74 References 74 3 Molecular Simulation Methods for CO2 Capture and Gas Separation with Emphasis on Ionic Liquids 79Niki Vergadou, Eleni Androulaki, and Ioannis G. Economou 3.1 Introduction 79 3.2 Molecular Simulation Methods for Property Calculations 83 3.3 Force Fields 85 3.4 Results and Discussion: The Case of the IOLICAP Project 87 3.5 Future Outlook 101 List of Abbreviations 102 Acknowledgments 103 References 103 4 Thermodynamics of Aqueous Methyldiethanolamine/Piperazine for CO2 Capture 113Peter T. Frailie, Jorge M. Plaza, and Gary T. Rochelle 4.1 Introduction 113 4.2 Model Description 114 4.3 Sequential Regression Methodology 115 4.4 Model Regression 115 4.5 Conclusions 134 List of Abbreviations 134 Acknowledgements 134 References 135 5 Kinetics of Aqueous Methyldiethanolamine/Piperazine for CO2 Capture 137Peter T. Frailie and Gary T. Rochelle 5.1 Introduction 137 5.2 Methodology 138 5.3 Results 143 5.4 Conclusions 150 List of Abbreviations 151 Acknowledgements 151 References 151 6 Uncertainties in Modelling the Environmental Impact of Solvent Loss through Degradation for Amine Screening Purposes in Post]combustion CO2 Capture 153Sara Badr, Stavros Papadokonstantakis, Robert Bennett, Graeme Puxty, and Konrad Hungerbuehler 6.1 Introduction 153 6.2 Oxidative Degradation 156 6.3 Environmental Impacts of Solvent Production 165 6.4 Conclusions and Outlook 167 List of Abbreviations 168 References 169 7 Computer]aided Molecular Design of CO2 Capture Solvents and Mixtures 173Athanasios I. Papadopoulos, Theodoros Zarogiannis, and Panos Seferlis 7.1 Introduction 173 7.2 Overview of Associated Literature 176 7.3 Optimization-based Design and Selection Approach 178 7.4 Implementation 183 7.5 Results and Discussion 187 7.6 Conclusions 196 List of Abbreviations 196 Acknowledgements 197 References 197 8 Ionic Liquid Design for Biomass-based Tri-generation System with Carbon Capture 203Fah Keen Chong, Viknesh Andiappan, Fadwa T. Eljack, Dominic C. Y. Foo, Nishanth G. Chemmangattuvalappil, and Denny K. S. Ng 8.1 Introduction 203 8.2 Formulations to Design Ionic Liquid for BECCS 205 8.3 An Illustrative Example 212 8.4 Conclusions 221 List of Abbreviations 222 References 225 Section 2 From Materials to Process Modelling, Design and Intensification 229 9 Multi-scale Process Systems Engineering for Carbon Capture, Utilization, and Storage: A Review 231M. M. Faruque Hasan 9.1 Introduction 231 9.2 Multi-scale Approaches for CCUS Design and Optimization 233 9.3 Hierarchical Approaches 234 9.4 Simultaneous Approaches 237 9.5 Enabling Methods, Challenges, and Research Opportunities 242 List of Abbreviations 243 References 244 10 Membrane System Design for CO2 Capture: From Molecular Modeling to Process Simulation 249Xuezhong He, Daniel R. Nieto, Arne Lindbråthen, and May-Britt Hägg 10.1 Introduction 249 10.2 Membranes for Gas Separation 250 10.3 Molecular Modeling of Gas Separation in Membranes 255 10.4 Process Simulation of Membranes for CO2 Capture 260 10.5 Future Perspectives 273 List of Abbreviations 274 Acknowledgments 276 References 276 11 Post-combustion CO2 Capture by Chemical Gas–Liquid Absorption: Solvent Selection, Process Modelling, Energy Integration and Design Methods 283Thibaut Neveux, Yann Le Moullec, and Éric Favre 11.1 Introduction 283 11.2 Solvent Influence 284 11.3 Process Modelling 286 11.4 Process Integration 291 11.5 Design Method 300 11.6 Conclusion 306 List of Abbreviations 308 References 308 12 Innovative Computational Tools and Models for the Design, Optimization and Control of Carbon Capture Processes 311David C. Miller, Deb Agarwal, Debangsu Bhattacharyya, Joshua Boverhof , Yang Chen, John Eslick, Jim Leek, Jinliang Ma, Priyadarshi Mahapatra, Brenda Ng, Nikolaos V. Sahinidis, Charles Tong, and Stephen E. Zitney 12.1 Overview 311 12.2 Advanced Computational Frameworks 313 12.3 Case Study: Solid Sorbent Carbon Capture System 326 12.4 Summary 335 Acknowledgment 338 List of Abbreviations 338 References 339 13 Modelling and Optimization of Pressure Swing Adsorption (PSA) Processes for Post]combustion CO2 Capture from Flue Gas 343George N. Nikolaidis, Eustathios S. Kikkinides, and Michael C. Georgiadis 13.1 Introduction 343 13.2 Mathematical Model Formulation 346 13.3 PSA/VSA Simulation Case Studies 352 13.4 PSA/VSA Optimization Case Study 359 13.5 Conclusions 362 List of Abbreviations 365 Acknowledgements 366 References 367 14 Joule Thomson Effect in a Two-dimensional Multi]component Radial Crossflow Hollow Fiber Membrane Applied for CO2 Capture in Natural Gas Sweetening 371Serene Sow Mun Lock, Kok Keong Lau, Azmi Mohd Shariff, and Yin Fong Yeong 14.1 Introduction 371 14.2 Methodology 373 14.3 Results and Discussion 384 14.4 Conclusion 393 List of Abbreviations 394 Acknowledgments 394 References 394 15 The Challenge of Reducing the Size of an Absorber Using a Rotating Packed Bed 399Ming]Tsz Chen, David Shan Hill Wong, and Chung Sung Tan 15.1 Motivation for Size Reduction 399 15.2 Rotating Packed Bed Technology 401 15.3 Experimental Work on CO2 Capture Using a Rotating Packed Bed 405 15.4 Modeling of CO2 Capture using a Rotating Packed Bed 409 15.5 Design of Rotating Packed Bed Absorbers and Real Work Comparison to Regular Packed Absorbers 410 15.6 Conclusions 417 List of Abbreviations 417 References 418 Section 3 Process Operation and Control 425 16 Plantwide Design and Operation of CO2 Capture Using Chemical Absorption 427David Shan Hill Wong and Shi]Shang Jang 16.1 Introduction 427 16.2 The Basic Process 428 16.3 Solvent Selection 429 16.4 Energy Consumption Targets 429 16.5 Steady-state Process Modeling 431 16.6 Conceptual Process Integration 432 16.7 Column Internals 432 16.8 Dynamic Modeling 433 16.9 Plantwide Control 434 16.10 Flexible Operation 434 16.11 Water and Amine Management 435 16.12 SOx Treatment 436 16.13 Monitoring 436 16.14 Conclusions 437 List of Abbreviations 437 References 437 17 Multi-period Design of Carbon Capture Systems for Flexible Operation 447Nial Mac Dowell and Nilay Shah 17.1 Introduction 447 17.2 Evaluation of Flexible Operation 451 17.3 Scenario Comparison 457 17.4 Conclusions 459 List of Abbreviations 460 Acknowledgements 460 References 461 18 Improved Design and Operation of Post-combustion CO2 Capture Processes with Process Modelling 463Adekola Lawal, Javier Rodriguez, Alfredo Ramos, Gerardo Sanchis, Mario Calado, Nouri Samsatli, Eni Oko, and Meihong Wang 18.1 Introduction 463 18.2 The gCCS Whole-chain System Modelling Environment 464 18.3 Typical Process Design Considerations in a Simulation Study 467 18.4 Safety Considerations: Anticipating Hazards 477 18.5 Process Operating Considerations 479 18.6 Conclusions 497 List of Abbreviations 498 References 498 19 Advanced Control Strategies for IGCC Plants with Membrane Reactors for CO2 Capture 501Fernando V. Lima, Xin He, Rishi Amrit, and Prodromos Daoutidis 19.1 Introduction 501 19.2 Modelling Approach 503 19.3 Design and Simulation Conditions 507 19.4 Model Predictive Control Strategies 508 19.5 Closed-loop Simulation Results 512 19.6 Conclusions 518 List of Abbreviations 518 Acknowledgements 519 References 519 20 An Integration Framework for CO2 Capture Processes 523M. Hossein Sahraei and Luis A. Ricardez-Sandoval 20.1 Introduction 523 20.2 Automation Framework and Syntax 525 20.3 CO2 Capture Plant Model 528 20.4 Case Studies 530 20.5 Conclusions 540 List of Abbreviations 541 References 541 21 Operability Analysis in Solvent-based Post-combustion CO2 Capture Plants 545Theodoros Damartzis, Athanasios I. Papadopoulos, and Panos Seferlis 21.1 Introduction 545 21.2 Framework for the Analysis of Operability 548 21.3 Framework Implementation 552 21.4 Results and Discussion 556 21.5 Conclusions 566 List of Abbreviations 567 Acknowledgments 567 References 567 Section 4 Integrated Technologies 571 22 Process Systems Engineering for Optimal Design and Operation of Oxycombustion 573Alexander Mitsos 22.1 Introduction 573 22.2 Pressurized Oxycombustion of Coal 575 22.3 Membrane-based Processes 578 22.4 Conclusions and Future Work 585 List of Abbreviations 585 Acknowledgments 585 References 586 23 Energy Integration of Processes for Solid Looping CO2 Capture Systems 589Pilar Lisbona, Yolanda Lara, Ana Martínez, and Luis M. Romeo 23.1 Introduction 589 23.2 Internal Integration for Energy Savings 592 23.3 External Integration for Energy Use 597 23.4 Process Symbiosis 601 23.5 Final Remarks 605 List of Abbreviations 605 References 605 24 Process Simulation of a Dual-stage Selexol Process for Pre-combustion Carbon Capture at an Integrated Gasification Combined Cycle Power Plant 609Hyungwoong Ahn 24.1 Introduction 609 24.2 Configuration of an Absorption Process for Pre-combustion Carbon Capture 610 24.3 Solubility Model 616 24.4 Conventional Dual-stage Selexol Process 619 24.5 Unintegrated Solvent Cycle Design 624 24.6 95% Carbon Capture Efficiency 625 24.7 Conclusions 626 List of Abbreviations 627 References 627 25 Optimized Lignite-fired Power Plants with Post-combustion CO2 Capture 629Emmanouil K. Kakaras, Antonios K. Koumanakos, and Aggelos F. Doukelis 25.1 Introduction 629 25.2 Reducing the Energy Efficiency Penalty 630 25.3 Optimized Plants with Amine Scrubbing: Greenfield Case 631 25.4 Oxyfuel and Amine Scrubbing Hybrid CO2 Capture 635 25.5 Conclusions 645 List of Abbreviations 645 References 645 Index 649

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Book SynopsisSi containing polymers have been instrumental in the development of membrane gas separation practices since the early 1970s. Their function is to provide a selective barrier for different molecular species, where selection takes place either on the basis of size or on the basis of physical interactions or both. Combines membrane science, organosilicon chemistry, polymer science, materials science, and physical chemistry Only book to consider polymerization chemistry and synthesis of Si-containing polymers (both glassy and rubbery), and their role as membrane materials Membrane operations present environmental benefits such as reduced waste, and recovered/recycled valuable raw materials that are currently lost to fuel or to flares Table of ContentsContributors xi Preface xv 1 Permeability of Polymers 1Yuri Yampolskii 1.1 Introduction 1 1.2 Detailed mechanism of sorption and transport 3 1.2.1 Transition-state model 3 1.2.2 Free volume model 4 1.2.3 Sorption isotherms 5 1.3 Concentration dependence of permeability and diffusion coefficients 6 1.4 Effects of properties of gases and polymers on permeation parameters 10 Acknowledgement 13 References 13 2 Organosiloxanes (Silicones), Polyorganosiloxane Block Copolymers: Synthesis, Properties, and Gas Permeation Membranes Based on Them 17Igor Raygorodsky, Victor Kopylov, and Alexander Kovyazin 2.1 Introduction 17 2.2 Synthesis and transformations of organosiloxanes 17 2.2.1 Polyorganosiloxanes with aminoalkyl groups at silicon 19 2.2.2 Organosilicon alcohols and phenols 21 2.3 Synthesis of polyorganosiloxane block copolymers 23 2.3.1 Polyester(ether)–polyorganosiloxane block copolymers 24 2.3.2 Synthesis of polyurethane–, polyurea–, polyamide–, polyimide– organosiloxane POBCs 25 2.4 Properties of polyorganosiloxane block copolymers 29 2.4.1 Phase state of polyblock organosiloxane copolymers 29 2.5 Morphology of POBCs and its effects on their diffusion properties 30 2.5.1 Types of heterogeneous structure 30 2.6 Some representatives of POBC as membrane materials and their properties 32 2.6.1 Polycarbonate–polysiloxanes 32 2.6.2 Polyurethane(urea)–polysiloxanes 39 2.6.3 Polyimide(amide)–polysiloxanes 42 2.7 Conclusions 45 References 46 3 Polysilalkylenes 53Nikolay V. Ushakov, Stepan Guselnikov, and Eugene Finkelshtein Acknowledgement 65 References 65 4 Polyvinylorganosilanes: The Materials for Membrane Gas Separation 69Nikolay V. Ushakov 4.1 Introduction: Historical background 69 4.2 Syntheses and polymerization of vinyltriorganosilanes 71 4.2.1 Syntheses of vinyltriorganosilanes 71 4.2.2 Vinyltriorganosilane (VTOS) polymerization 73 4.3 Physico-chemical and membrane properties of polymeric PVTOS materials 88 4.4 Concluding remarks 94 Acknowledgement 95 References 95 5 Substituted Polyacetylenes 107Toshikazu Sakaguchi, Yanming Hu, and Toshio Masuda 5.1 Introduction 107 5.2 Poly(1-trimethylsilyl-1-propyne) (PTMSP) and related polymers 110 5.2.1 Synthesis and general properties 110 5.2.2 Permeation of gases and liquids 112 5.2.3 Aging effect and cross-linking 114 5.2.4 Free volume 115 5.2.5 Nanocomposites and hybrids 116 5.3 Poly[1-phenyl-2-(p-trimethylsilylphenyl)acetylene] and related polymers 117 5.3.1 Polymer synthesis 118 5.3.2 Gas separation 121 5.4 Desilylated polyacetylenes 124 5.4.1 Desilylation of poly[1(p-trimethylsilylphenyl)-2-phenylacetylene] 124 5.4.2 PDPAs from precursor polymers with various silyl groups 125 5.4.3 Soluble poly(diphenylacetylene)s obtained by desilylation 127 5.4.4 Poly(diarylacetylene)s 128 5.5 Polar-group-containing polyacetylenes 130 5.5.1 Hydroxy group 130 5.5.2 Sulfonated and nitrated poly(diphenylacetylene)s 132 5.5.3 Other polar groups 134 5.6 Concluding remarks 135 References 136 6 Polynorbornenes 143Eugene Finkelshtein, Maria Gringolts, Maksim Bermeshev, Pavel Chapala, and Yulia Rogan 6.1 Introduction 143 6.2 Monomer synthesis 144 6.2.1 Synthesis of silicon-substituted norbornenes and norbornadienes 145 6.2.2 Synthesis of Si-containing exo-tricyclo[4.2.1.02,5]non-7-enes 152 6.3 Metathesis polynorbornenes 163 6.4 Addition polymerization 183 6.4.1 Addition polynorbornenes and polynorbornenes with alkyl side groups 184 6.4.2 Silicon and germanium-substituted polynorbornenes 187 6.4.3 Composites with addition silicon-containing polytricyclononenes 205 6.5 Conclusions 209 Acknowledgement 210 References 210 7 Polycondensation Materials Containing Bulky Side Groups: Synthesis and Transport Properties 223Susanta Banerjee and Debaditya Bera 7.1 Introduction 223 7.2 Synthesis of the polymers 224 7.2.1 Polyimides 224 7.2.2 Poly(arylene ether)s (PAEs) 227 7.2.3 Aromatic polyamides (PAs) 228 7.3 Effect of different bulky groups on polymer gas transport properties 229 7.3.1 Gas transport properties of the polyimides containing different bulky groups 229 7.3.2 Gas transport properties of polyamides containing different bulky groups 241 7.3.3 Gas transport properties of poly(arylene ether)s containing different bulky groups 248 7.3.4 Concluding remarks 263 References 265 8 Gas and Vapor Transport Properties of Si-Containing and Related Polymers 271Yuri Yampolskii 8.1 Introduction 271 8.2 Rubbery Si-containing polymers 272 8.2.1 Polysiloxanes 272 8.2.2 Siloxane-containing copolymers (block copolymers, random copolymers and graft copolymers) 274 8.2.3 Polysilmethylenes 277 8.3 Glassy Si-containing polymers 278 8.3.1 Polymers with Si–O–Si bonds in side chains 278 8.3.2 Poly(vinyltrimethyl silane) and related vinylic polymers 282 8.3.3 Metathesis norbornene polymers 285 8.3.4 Additive norbornene polymers 286 8.3.5 Polyacetylenes 290 8.3.6 Other glassy Si-containing polymers 293 8.4 Free volume in Si-containing polymers 294 8.5 Concluding remarks 296 Acknowledgement 298 References 298 9 Modeling of Si-Containing Polymers 307Joel R. Fried, Timothy Dubbs, and Morteza Azizi 9.1 Introduction 307 9.2 Main-chain silicon-containing polymers 309 9.2.1 Polysiloxanes 309 9.2.2 Polysilanes and silalkylene polymers 314 9.3 Side-chain silicon-containing polymers 316 9.3.1 Poly(vinyltrimethylsilane) 316 9.3.2 Poly[1-(trimethylsilyl)-1-propyne] 317 9.4 Conclusions 324 Appendices 325 9.A Molecular flexibility 325 9.B Simulation of diffusivity 325 9.B.1 Einstein relationship 325 9.B.2 VACF method 325 9.C Simulation of solubility: Widom method 325 9.D Molecular mechanics force fields 326 9.D.1 DREIDING 326 9.D.2 Polymer-consistent force field (pcff ) 326 9.D.3 GROMOS 326 9.D.4 COMPASS 326 References 327 10 Pervaporation and Evapomeation with Si-Containing Polymers 335Tadashi Uragami 10.1 Introduction 335 10.2 Structural design of Si-containing polymer membranes 335 10.2.1 Chemical design of Si-containing polymer membrane materials 336 10.2.2 Physical construction of Si-containing polymer membranes 336 10.3 Pervaporation 337 10.3.1 Principle of pervaporation 337 10.3.2 Fundamentals of pervaporation 338 10.3.3 Solution–diffusion model in pervaporation 339 10.4 Evapomeation 340 10.4.1 Principle of evapomeation 340 10.4.2 Principle of temperature-difference controlled evapomeation 341 10.5 Technology of pervaporation with Si-containing polymer membranes 342 10.5.1 Alcohol permselective membranes 342 10.5.2 Hydrocarbon permselective membranes 353 10.5.3 Organic permselective membranes 360 10.5.4 Membranes for separation of organic–organic mixtures 361 10.5.5 Membranes for optical resolution 362 10.6 Technology of evapomeation with Si-containing polymer membranes 363 10.6.1 Permeation and separation by evapomeation 363 10.6.2 Concentration of ethanol by temperature-difference controlled evapomeation 364 10.7 Conclusions 365 References 365 11 Si-Containing Polymers in Membrane Gas Separation 373Adele Brunetti, Leonardo Melone, Enrico Drioli, and Giuseppe Barbieri Executive summary 373 11.1 Introduction 373 11.2 Si-containing polymer membranes used in gas separation 375 11.2.1 Silicon rubber membrane materials 375 11.2.2 Polyacetylene membrane materials 376 11.2.3 Polynorbornene membrane materials 378 11.2.4 Other Si-containing membrane materials 378 11.3 Separations 379 11.4 Membrane modules 381 11.5 Competing technologies for separation of gases 384 11.6 Applications 385 11.6.1 Air separation 385 11.6.2 Hydrogen separation 386 11.6.3 Hydrocarbon separation 390 11.6.4 VOC separation 392 References 393 Index 399

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Book SynopsisThis volume contains 40 papers from the following 10 Materials Science and Technology (MS&T''14) symposia: Rustum Roy Memorial Symposium: Processing and Performance of Materials Using Microwaves, Electric and Magnetic Fields, Ultrasound, Lasers, and Mechanical Work Advances in Dielectric Materials and Electronic Devices Innovative Processing and Synthesis of Ceramics, Glasses and Composites Advances in Ceramic Matrix Composites Sintering and Related Powder Processing Science and Technology Advanced Materials for Harsh Environments Thermal Protection Materials and Systems Advanced Solution Based Processing for Ceramic Materials Controlled Synthesis, Processing, and Applications of Structure and Functional Nanomaterials Surface Protection for Enhanced Materials Performance Table of ContentsPreface xi PROCESSING AND PERFORMANCE OF MATERIALS USING MICROWAVES, ELECTRIC AND MAGNETIC FIELDS Single-Mode Microwave Sintering of Er:Al2O3 3Robert Pavlacka, Claire Brennan, Victoria Blair, Raymond Brennan, Constantine Fountzoulas, Jiping Cheng, and Dinesh Agrawal A Study of High Temperature Refractory Insulation for Use in Ceramic and Microwave Metal Heating 13Edward B. Ripley and J. Cook Advancing Composites in Automotive by Electromagnetic Processing 21Lambert Feher Synthesis of Copper Spinels by Microwave Irradiation 33Jun Fukushima, Hirotsugu Takizawa, and Yamato Hayashi Analysis and Design of Multi-Tip Open-Ended Coaxial Probe for Very High Temperature Dielectric Measurements 43E. Ripley, J. Cook, M. Awida, K. Williams, B. Warren, and A. Fathy Magnetic Processing of Lead Free Solder Systems 51Edward Ripley, Russell Hallman, and Ashley C. Stowe Microwave Ultra-Rapid Sintering of Oxide Ceramics 57K. I. Rybakov, Yu. V. Bykov, A. G. Eremeev, S. V. Egorov, V. V. Kholoptsev, A. A. Sorokin, V. E. Semenov Thermal and Non-Thermal Phenomena in Microwave Processing 67N. Yoshikawa DIELECTRIC MATERIALS AND ELECTRONIC DEVICES Low Temperatures Dielectric Anomaly in BiFeO3–Based Multiferroic Ceramics 79J. D. S. Guerra, Madhuparna Pal, G. S. Dias, I. A. Santos, R. Guo, and A. S. Bhalla Quantification of Primary and Secondary Contribution on Magnetoelectric Effect of NiFe2O4/Pb(Zr0.52Ti0.48)O3/NiFe2O4 Tri-Layered Composite 87S. Betal, L. F. Cótica, C. T. Morrow, S. Priya, A. Bhalla, and R. Guo Dielectric and Electrical Properties of Undoped and Fe-Doped Yttrium Copper Titanate 95Sunita Sharma, M. M. Singh, and K. D. Mandal Analysis of Birefringence Behavior in the Determination of the Characteristics Temperatures of Transparent Ferroelectric Relaxor Ceramic Systems 107F. P. Milton, E. R. Botero, F. A. Londoño, J. A. Eiras, and D. Garcia Magnetic Sensors Based on Tuned Varistors of Ilmenite-Hematite, IHC45, Oxide Semiconductor 115R. K. Pandey, William A. Stapleton, and Ivan Sutanto Structural, Microstructural and Dielectric Properties of Tri-Layered Aurivillius-Type Structure Bi4Ti3O12 Ferroelectric Ceramics 131I. C. Reis, A. C. Silva, R. Guo, A. S. Bhalla, and J. D. S. Guerra Dielectric Properties and Applications of Nanocrystalline Diamond Thin Films 137N. Govindaraju and R. N. Singh Mounting of Multi-Pin Bare Chips with Ball Pins on a Flexible Polyimide Board 151N. Korobova, Yu Dolgovykh, A. Pogalov, G. Blinov, and S. Timoshenkov ADVANCES IN COMPOSITES Numerical Studies of Infiltration Dynamics of Liquid-Copper and Titanium/Solid-Carbon System 159Khurram Iqbal Reactive Melt Infiltration of Boron Containing Fiber Reinforced Preforms Forming a ZrB2 Matrix 169Marius Kütemeyer, Darren Shandler, Dietmar Koch, and Martin Friess STRUCTURAL CLAY Analysis of Morphologic and Thermic Behavior of Minerals from the Municipality of Campos Dos Goytacazes 183A. R. G. Azevedo, J. Alexandre, G. C.Xavier, S. N. Monteiro, F. M. Margem, N. G. Azeredo, and A. L. C. Paes Characterization of the Clay Used in Manufacturing Structural Clay Brick 191N. G. Azeredo, J. Alexandre, A. R. G. Azevedo, G. C. Xavier, and S. N. Monteiro INNOVATIVE PROCESSING Densification of SHS Obtained Ti2AlC Active Precursor Powder by Hot Pressing Method 205L Chlubny, J. Lis, and M. M. Bucko Numerical Studies of Wetting and Interfacial Phenomena in Liquid-Copper Alloy/Solid-Carbon and Titanium Carbide Systems 213Khurram Iqbal Properties of Porous Silicon Carbide Ceramics Prepared by Soft Templating Approach 221Thibaud Nardin, Benoît Gouze, Julien Cambedouzou, Daniel Meyer, and Olivier Diat Low-Temperature Synthesis Method of Aluminum Nitride Powder 229Kyyoul Yun, Yuya Takahashi, and Shunji Yanase THERMAL PROTECTION MATERIALS AND SYSTEMS Stiffness Response of Oxide Scales on Nickel Based ODS Alloys Exposed To Thermal Cyclic Oxidation 237Belachew N. Amare, Bruce S.-J. Kang, and Mary Anne Alvin HYDRA, A New Hybrid Thermal Protection System for LEO and Moon Mission Re-Entry Vehicles 251Wolfgang P. P. Fischer, J. Barcena, S. Florez, and B. Perez Maturation of AIRBUS D&S Thermal Protection Systems Portfolio 265Wolfgang P. P. Fischer Fabrication and Characterization of C/C-SiC Material Made with Pitch-Based Carbon Fibers 277Thomas Reimer, Ivaylo Petkov, Dietmar Koch, Martin Frieß, and Christoph Dellin MATERIALS FOR HARSH ENVIRONMENTS Electrochemical Behavior of Ti(C,N)-Ni3Al Cermets 297M. B. Holmes, G. J. Kipouros, Z. N. Farhat, and K. P. Plucknett Extending the Lifetime of Mixer Paddles Used in the Production of a Low-Level Radioactive Cementitious Waste Form 309Marissa M. Reigel and Mark D. Fowley ADVANCED SOLUTION AND COLLOIDAL PROCESSING FOR CERAMICS Synthesis, Characterization of FexZr1-xO2 Solid Solution Nanoparticles and Bulk Powders Prepared Using a Sol-Gel Technique 323Guillermo Herrera-Pérez, Antonio Doménech-Carbó, Noemí Montoya, and Javier Alarcón Ferrite Nanoparticles: From Synthesis to New Advanced Materials 335Darja Lisjak CONTROLLED SYNTHESIS, PROCESSING, AND APPLICATIONS OF STRUCTURAL AND FUNCTIONAL NANOMATERIALS Structural and Optical Properties of Dysprosium-Doped SnO2 Nanocrystals and Their LPG-Sensing Behavior 351Ravi Chand Singh, Gurpreet Singh, and Anita Hastir Development and Characterization of a Graphene Nanosheet–Polyaniline (GNS–PANI) Nanocomposite for Conductive Ink Applications 361Ali Ramazani, Nasser Arsalani, Vahid Shirazi Khanamiri, Amin Goljanian Tabrizi,and Mahsa Sadat Safavi Design and Synthesis of Metallic Nanoparticle-Ceramic Support Interfaces for Enhancing Thermal Stability 369D. Driscoll, C. Law, and S.W. Sofie SINTERING AND RELATED POWDER PROCESSING Effect of Alloying Elements on Mechanical Properties and Electrical Conductivity of P/M Copper Alloys Dispersed with Vapor-Grown Carbon Fiber 383Hisashi Imai, Kuan-Yu Chen, Katsuyoshi Kondoh, and Hung-Yin Tsai The Role of Liquid Phase on Microstructure Development and Mechanical Properties in Ceramic Tiles for Interior Wall Facing 393A. Poznyak, I. Levitskii, and S. Barantseva SURFACE PROTECTION FOR ENHANCED PERFORMANCE Simulation and Modeling of a Carburizing Process using Variables for Effective Performance in Service in AISI 1032 Steel 405Adekunle Adegbola, Ghazali Akeem, Ismaila Alabi, Mutiu Kareem, Olugbenga Fashina, Abolade Olaniyan, Joseph Omotoyinbo, and Oladayo Olaniran Pyrochlore Lanthanide Zirconates for Thermal Barrier Coatings 417Honglong Wang, Emily Tarwater, Xinxing Zhang, Zhizhi Sheng, and Jeffrey W. Fergus Optimization and Development of X-ray Microscopy Technique for Investigation of Thermal Barrier Coating 425Navid Asadizanjani, Sina Shahbazmohammadi, and Eric H. Jordan Author Index 441

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Book SynopsisSignificant research has been done in polymeric nanocomposites and progress has been made in understanding nanofiller-polymer interface and interphase and their relation to nanocomposite properties. However, the information is scattered in many different publication media. This is the first book that consolidates the current knowledge on understanding, characterization and tailoring interfacial interactions between nanofillers and polymers by bringing together leading researchers and experts in this field to present their cutting edge research. Eleven chapters authored by senior subject specialists cover topics including: Thermodynamic mechanisms governing nanofiller dispersion, engineering of interphase with nanofillers Role of interphase in governing the mechanical, electrical, thermal and other functional properties of nanocomposites, characterization and modelling of the interphase Effects of crystallization on the interface, chemicalTable of ContentsPreface xiii Part 1 Nanocomposite Interfaces/Interphases 1 Polymer Nanocomposite Interfaces: The Hidden Lever for Optimizing Performance in Spherical Nanofilled Polymers 3 Ying Li, Yanhui Huang, Timothy Krentz, Bharath Natarajan, Tony Neely and Linda S. Schadler 1.1 Introduction 4 1.1.1 Dispersion Control 5 1.1.2 Interface Structure 6 1.1.3 Interface Properties 6 1.1.4 Measuring and Modeling the Interface 7 1.2 Dispersion Control through Interfacial Modification 8 1.2.1 Introduction 8 1.2.2 Short Ligands 8 1.2.3 Polymer Brush 11 1.2.3.1 Polymer Brush Synthesis Methods 12 1.2.3.2 Enthalpic and Entropic Contributions of Polymer Brushes to Dispersion Control 13 1.3 Interface Structure 16 1.3.1 Introduction 16 1.3.2 Effects of Particle Size 17 1.3.3 Effects of Crystallinity and Crosslinking 18 1.3.4 Effects of Polymer Brush Penetration 19 1.3.4.1 The Athermal Case 19 1.3.4.2 The Enthalpic Case 21 1.3.5 Characterizing the Interface Structure 22 1.4 Interface Properties and Characterization Techniques 24 1.4.1 Introduction 24 1.4.2 Molecular Mobility in Nanocomposite Interfaces 25 1.4.3 Thermomechanical Properties and Measurements 28 1.4.3.1 Direct Measurement 30 1.4.3.2 Indirect Methods 32 1.4.4 Dielectric Properties and Measurements 40 1.4.4.1 Effects of Nanofillers 42 1.4.4.2 Measurement Techniques 43 1.4.4.3 Indirect Measurement 44 1.4.4.4 Finite Element Modeling 50 1.4.5 Remarks on Characterization Methods 52 1.5 Summary 53 Acknowledgements 54 References 55 2 Interphase Engineering with Nanofillers in Fiber-Reinforced Polymer Composites 71 József Karger-Kocsis, Sándor Kéki, Haroon Mahmood and Alessandro Pegoretti 2.1 Introduction 72 2.2 Interphase Tailoring for Stress Transfer 74 2.2.1 Coating with Nanofillers 74 2.2.2 Creation of Hierarchical Fibers 80 2.2.2.1 Chemical Grafting of Nanofillers 80 2.2.2.2 Chemical Vapor Deposition (CVD) 81 2.2.2.3 Other “Grafting” Techniques 83 2.2.3 Effects of Matrix Modification with Nanofillers 85 2.3 Interphase Tailoring for Functionality 87 2.3.1 Sensing/Damage Detection 87 2.3.2 Self-Healing/Repair 89 2.3.3 Damping 91 2.4 Outlook and Future Trends 91 2.5 Summary 93 2.6 Acknowledgements 93 2.7 Nomenclature 94 References 94 3 Formation and Functionality of Interphase in Polymer Nanocomposites 103 Peng-Cheng Ma, Bin Hao and Jang-Kyo Kim 3.1 Introduction 103 3.2 Formation of Interphase in Polymer Nanocomposites 105 3.3 Functionality of Interphase in Polymer Nanocomposites 111 3.3.1 Load Transfer in Nanocomposites 111 3.3.2 Reduction in Growth Rate of Fatigue Cracks in Nanocomposites 116 3.3.3 Controlling the Fracture Behavior of Nanocomposites 119 3.3.4 Enhancing the Damping Properties of Nanocomposites 121 3.3.5 Channels for the Transport of Ions and Moisture in Nanocomposites 123 3.3.6 Phonon Scattering in Nanocomposites 125 3.3.7 Electron Transfer in Nanocomposites 128 3.4 Summary and Prospects 130 Acknowledgements 133 References 133 4 Impact of Crystallization on the Interface in Polymer Nanocomposites 139 Nandika D’Souza Siddhi Pendse, Laxmi Sahu, Ajit Ranade and Shailesh Vidhate 4.1 Introduction 140 4.2 Thermodynamics of Crystallization 142 4.3 Nylon Nanocomposites 144 4.4 Dispersion of MLS in Nanocomposites 145 4.5 Effect of MLS on Thermal Transitions in Nylon 146 4.6 Permeability 149 4.7 PET Nanocomposites 151 4.8 Dispersion of MLS in Nanocomposites 151 4.9 Effect of MLS on Thermal Transitions in PET 151 4.10 PEN Nanocomposites 156 4.11 Dispersion of MLS in Nanocomposites 156 4.12 Effect of MLS on Thermal Transitions in PEN 157 4.13 Permeability 162 4.14 The Role of the Interface in Permeability: PET versus PEN 162 4.15 Summary 167 References 168 5 Improved Nanofiller-Matrix Bonding and Distribution in GnP-reinforced Polymer Nanocomposites by Surface Plasma Treatments of GnP 171 Rafael J. Zaldivar and Hyun I. Kim 5.1 Introduction 172 5.2 Experimental 173 5.2.1 Composite Fabrication 173 5.2.2 Image Analysis 174 5.2.3 Raman Spectroscopy 174 5.2.4 X-ray Photoelectron Spectroscopy (XPS) 174 5.2.5 Scanning Electron Microscopy (SEM) 175 5.2.6 Mechanical Testing 175 5.3 Results 175 5.4 Conclusions 187 Acknowledgement 187 References 187 6 Interfacial Effects in Polymer Nanocomposites Studied by Thermal and Dielectric Techniques 191 Panagiotis Klonos, Apostolos Kyritsis and Polycarpos Pissis 6.1 Introduction 192 6.2 Experimental Techniques 197 6.2.1 Differential Scanning Calorimetry (DSC) 197 6.2.2 Dielectric Techniques 202 6.2.2.1 Broadband Dielectric Spectroscopy (BDS) 203 6.2.2.2 Thermally Stimulated Depolarization Current (TSDC) Techniques 207 6.3 Evaluation in Terms of Interfacial Characteristics 209 6.3.1 Analysis of DSC Measurements 209 6.3.2 Analysis of Dielectric Measurements 211 6.3.3 Thickness of the Interfacial Layer 213 6.4 Examples 214 6.4.1 DSC Measurements 214 6.4.2 Dielectric Measurements 221 6.5 Prospects 235 6.6 Summary 236 Acknowledgements 237 References 237 Part 2 Techniques to Characterize/Control Nanoadhesion 7 Investigation of Interfacial Interactions between Nanofillers and Polymer Matrices Using a Variety of Techniques 251 Luqi Liu 7.1 Introduction 251 7.2 Observation of Interfacial Layer in Nanostructured Carbon Materials-based Nanocomposites 253 7.2.1 Characterization of Interface Layer Around CNTs 253 7.2.2 Characterization of Interface Layer Around Graphene Sheets 255 7.3 Interfacial Properties between Nanofiller and Polymer Matrix 256 7.3.1 Theoretical Simulations of CNT and/or Graphene-based Nanocomposites 256 7.3.1.1 Theoretical Simulation of CNT-based Nanocomposites 256 7.3.1.2 Theoretical Simulation of Graphene-based Nanocomposites 258 7.3.2 Experimental Studies to Characterize Interfacial Behavior in CNT and/or Graphene-based Nanocomposite Systems 260 7.3.2.1 Indirect Measurement 261 7.3.2.2 Direct Measurement 261 7.4 Summary 270 Acknowledgements 271 References 271 8 Chemical and Physical Techniques for Surface Modification of Nanocellulose Reinforcements 279 Viktoriya Pakharenko, Muhammad Pervaiz, Hitesh Pande and Mohini Sain 8.1 Introduction 279 8.2 Chemical Surface Modification 281 8.2.1 Acetylation 281 8.2.2 Silylation 284 8.2.3 Bacterial Treatment 285 8.2.4 Grafting 287 8.2.5 Surfactant Adsorption 289 8.2.6 TEMPO-mediated Oxidation 290 8.2.7 Click chemistry 292 8.3 Physical Surface Modification 292 8.3.1 Plasma 292 8.3.2 Corona 297 8.3.3 Laser 299 8.3.4 Flame 299 8.4 Use of Ions 300 8.5 Summary 300 Acknowledgments 301 References 301 9 Nondestructive Sensing of Interface/Interphase Damage in Fiber/Matrix Nanocomposites 307 Zuo-Jia Wang, Dong-Jun Kwon, Jin-Yeong Choi, Pyeong-Su Shin, K. Lawrence DeVries and Joung-Man Park 9.1 Introduction 308 9.2 Experimental Specimens and Methods 311 9.2.1 Gradient Specimen Test 311 9.2.2 Dual Matrix Fragmentation Test 314 9.3 Damage Sensing Using Electrical Resistance Measurements 317 9.3.1 Electrical Resistance Measurement for Strain Sensing Application 317 9.3.2 Electrical Resistance Measurement for Interface/Interphase Evaluation 321 9.4 Summary 327 References 327 10 Development of Polymeric Biocomposites: Particulate Incorporation, Interphase Generation and Evaluation by Nanoindentation 333 Oisik Das and Debes Bhattacharyya 10.1 Introduction 334 10.2 The Definitions of Composite and its Constituents 337 10.2.1 Composite 337 10.2.2 Biocomposite 337 10.2.3 The Reinforcement 337 10.2.4 The Matrix 338 10.3 Physical and Chemical Structures of Bio–based Reinforcements 339 10.3.1 Plant/Vegetable-based Reinforcements/Fibres 339 10.3.1.1 Physical Structure 339 10.3.1.2 Chemical Structure 339 10.3.2 Animal-based Reinforcements/Fibres 342 10.3.2.1 Physical Structure 342 10.3.2.2 Chemical Structure 343 10.4 Particulate and Short Fibre Composites 344 10.4.1 Biochar as Potential New Bio-based Particulate Reinforcement 345 10.4.2 Properties of Particulate-based Composites: Governing Factors 351 10.4.2.1 Particulate Properties 351 10.4.2.2 Particulate Structure 355 10.5 Nanoindentation Technique to Determine Interphase and Composite Properties 358 10.5.1 The Technique and Theory of Nanoindentation 358 10.5.1.1 Different Types of Indenter Tips 360 10.5.1.2 Nanoindentation Theory 362 10.5.1.3 Nanoindentation Instrument 364 10.5.2 Nanoindentation on Polymeric Composites and their Interphase 364 10.5 Concluding Remarks 369 References 370 11 Perspectives on the Use of Molecular Dynamics Simulations to Characterize Filler-Matrix Adhesion and Nanocomposite Mechanical Properties 375 Sanket A. Deshmukh, Benjamin J. Hanson, Qian Jiang and Melissa A. Pasquinelli 11.1 Introduction 376 11.2 Overview of Molecular Dynamics (MD) Simulations 377 11.3 Characterization of Interfacial Adhesion with MD Simulations 381 11.3.1 Quantifying Adhesion Strength 381 11.3.2 Effect of the Strength of Matrix-Filler Interactions 383 11.3.3 Effect of Filler Geometry 386 11.3.4 Effect of Ordering and Crosslinking within the Polymer Matrix 388 11.4 Characterization of Mechanical Properties with MD Simulations 391 11.4.1 Predicting Static Mechanical Properties 392 11.4.2 Predicting Dynamic Mechanical Properties 395 11.5 Prospects 399 11.6 Summary 400 Acknowledgements 400 References 400

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Book SynopsisA unique text presenting practical information on the topic of nucleation and crystal growth processes from metastable solutions and melts Nucleation and Crystal Growth is a groundbreaking text thatoffers an overview and description of the processes and phenomena associated with metastability of solutions and melts. The authora noted expert in the fieldputs the emphasis on low-temperature solutions that are typically involved in crystallization in a wide range of industries. The text begins with a review of the basic knowledge of solutions and the fundamentals of crystallization processes. The author then explores topics related to the metastable state of solutions and melts from the standpoint of three-dimensional nucleation and crystal growth. Nucleation and Crystal Growth is the first text that contains a unified description and discussion of the many processes and phenomena occurring in the metastable zone of solutions and melts from the considTable of ContentsPreface xiii Acknowledgments xix List of Frequently Used Symbols xxi 1 Structure and Properties of Liquids 1 1.1 Different States of Matter 1 1.2 Models of Liquid Structure 6 1.3 Water and Other Common Solvents 12 1.4 Properties of Solutions 15 1.4.1 The Solvation Process 17 1.4.2 The Concentration of Solutions 19 1.4.3 Density and Thermal Expansivity of Solutions 21 1.4.4 Viscosity of Solutions 27 1.5 Saturated Solutions 35 1.6 High-Temperature Solvents and Solutions 43 References 46 2 Three-dimensional Nucleation of Crystals and Solute Solubility 49 2.1 Driving Force for Phase Transition 49 2.2 3D Nucleation of Crystals 54 2.2.1 Nucleation Barrier 55 2.2.2 Nucleation Rate 56 2.2.3 3D Heterogeneous Nucleation 60 2.3 Ideal and Real Solubility 63 2.3.1 Basic Concepts 63 2.3.2 Examples of Experimental Data 68 2.3.3 Mathematical Representation of Solute Solubility in Solvent Mixtures 76 2.4 Solute Solubility as a Function of Solvent–Mixture Composition 78 2.4.1 A Simple Practical Approach 78 2.4.2 Physical Interpretation of the δ Factor and Solvent Activity 87 2.4.3 Preferential Solvation of Solute by Solvents 89 2.5 Solid–Solvent Interfacial Energy 92 2.6 Solubility and Supersolubility 96 References 101 3 Kinetics and Mechanism of Crystallization 105 3.1 Crystal Growth as a Kinetic Process 106 3.2 Types of Crystal–Medium Interfaces 107 3.3 Thermodynamic and Kinetic Roughening of Surfaces 108 3.4 Growth Kinetics of Rough Faces 111 3.5 Growth Kinetics of Perfect Smooth Faces 112 3.6 Growth Kinetics of Imperfect Smooth Faces 116 3.6.1 Surface Diffusion and Direct Integration Models 117 3.6.2 Bulk Diffusion Models 119 3.6.3 Growth at Edge Dislocations 120 3.7 Simultaneous Bulk-Diffusion and Surface-Reaction Controlled Growth 121 3.8 Effect of Impurities on Growth Kinetics 123 3.9 Overall Crystallization 127 3.9.1 Basic Theoretical Equations 129 3.9.2 Polynuclear Crystallization 133 3.9.2.1 Instantaneous Nucleation Mode 134 3.9.2.2 Progressive Nucleation Mode 135 3.9.2.3 Trends of Overall Crystallization Curves 136 3.9.2.4 Some Comments on the KJMA Theory 138 3.9.3 Mononuclear Crystallization 139 3.9.4 Effect of Additives on Overall Crystallization 139 References 140 4 Phase Transformation and Isothermal Crystallization Kinetics 145 4.1 Nucleation and Transformation of Metastable Phases 146 4.1.1 Thermodynamics of Crystallization of Metastable Phases 147 4.1.2 Transformation Kinetics of Metastable Phases 151 4.1.3 Transformation of Metastable Phases According to KJMA Theory 158 4.1.4 Effect of Solvent on Transformation of Metastable Phases 160 4.2 Some Non-KJMAModels of Isothermal Crystallization Kinetics 170 4.2.1 Approach Involving Formation of an Amorphous Precursor 170 4.2.2 Model of Mazzanti, Marangoni, and Idziak 175 4.2.3 Gompertz’s Model 178 4.2.4 Model of Foubert, Dewettinck, Jansen, and Vanrolleghem 179 4.3 Comparison of Different Models of Isothermal Crystallization Kinetics 181 References 186 5 Nonisothermal Crystallization Kinetics and the Metastable Zone Width 189 5.1 Theoretical Interpretations of MSZW 191 5.1.1 Nývlt’s Approach 192 5.1.2 Kubota’s Approach 194 5.1.3 Self-Consistent Nývlt-Like Equation of MSZW 195 5.1.4 Approach Based on the Classical Theory of 3D Nucleation 197 5.1.5 Approach Based on Progressive 3D Nucleation 199 5.1.6 Approach Based on Instantaneous 3D Nucleation 202 5.2 Experimental Results on MSZW of Solute−Solvent Systems 202 5.2.1 Dependence of Dimensionless Supercooling on Cooling Rate 204 5.2.2 Effect of Detection Technique on MSZW 210 5.2.3 Relationships between β and Z and between Φ and F 212 5.2.4 Relationship between Dimensionless F1 and Crystallization Temperature 220 5.2.5 Dependence of Parameters Φ and F on Saturation Temperature T9 222 5.2.6 Physical Significance of Esat and Its Relationship with ΔHs 225 5.2.7 The Nucleation Order m 230 5.3 Isothermal Crystallization 232 5.4 Effect of Additives on MSZW of Solutions 232 5.4.1 Some General Features 233 5.4.2 Theoretical Considerations 236 5.4.2.1 Approach Based on Classical Nucleation Theory 236 5.4.2.2 Final Expressions for Analysis of Experimental Data 238 5.4.3 Some Examples of Effect of Impurities on MSZW 239 5.4.3.1 Boric Acid Aqueous Solutions 239 5.4.3.2 KDP Aqueous Solutions 244 5.4.3.3 POP-Acetone Solutions Containing PPP Additive 246 5.4.4 Dependence of Maximum Supersaturation Ratio on Impurity Concentration 250 5.4.5 Solute-Additive Binding Energies and MSZW of Systems 252 5.5 Effects of Some Other Factors on MSZW of Solutions 255 5.5.1 Effect of Stirring and Ultrasound on MSZW 255 5.5.2 Effect of Solution Volume on MSZW 255 5.6 Nonisothermal Crystallization Kinetics in Melts 259 References 260 6 Antisolvent Crystallization and the Metastable Zone Width 267 6.1 Observation Techniques for Antisolvent Crystallization 268 6.2 Light Intensity Measurements 270 6.2.1 Some Experimental Data 270 6.2.2 Processes Involved in Antisolvent Crystallization 274 6.3 Temperature Measurements 276 6.3.1 Some Experimental Data 276 6.3.2 Kinetics of Temperature Increase 279 6.3.3 Physical Interpretation of Temperature Changes of ADP Solutions with Antisolvent Feeding Time at Different Rates 286 6.3.4 Origin of Two Minima and Maximum in Temperature Change ΔT During Antisolvent Crystallization 287 6.3.5 Relationship Between Different Temperature Changes, Antisolvent Feeding Rate, and Antisolvent Content 288 6.3.6 Comparison of Light-intensity and Temperature Measurements 291 6.4 Effect of Antisolvent Composition on Nucleation Rate 296 6.5 Different Approaches of MSZW 298 6.5.1 Modified Nývlt-like Approach 298 6.5.2 Kubota’s Approach 299 6.5.3 Another Derivation of Nývlt-like Equation 300 6.5.4 Approach Based on Classical Theory of 3D Nucleation 302 6.6 Experimental Data of MSZW in Antisolvent Crystallization 303 6.6.1 Analysis of Experimental Δxmax(RA) Data 304 6.6.2 Effect of Detection Technique on MSZW 312 6.6.3 Effect of Stirring on MSZW 315 6.6.4 Threshold and Limiting Antisolvent Addition Rates 318 6.7 Combined Antisolvent/Cooling Crystallization 319 References 321 7 Induction Period for Crystallization 325 7.1 Theoretical Background 327 7.1.1 Theoretical Interpretation of Induction Period 328 7.1.2 Some Other Relations 331 7.1.3 Basic Equations 333 7.2 Induction Period for Isothermal Crystallization 333 7.2.1 Crystallization from Solutions 333 7.2.2 Crystallization from the Melt 338 7.3 Induction Period in Antisolvent Crystallization 343 7.4 Induction Period for Nonisothermal Crystallization 345 7.4.1 Crystallization from Solutions 345 7.4.2 Effect of Impurities on Crystallization from Solutions 349 7.4.3 Crystallization from the Melt 354 References 358 8 Ostwald Ripening, Crystal Size Distribution, and Polymorph Selection 361 8.1 Supersaturation Decay During Antisolvent Crystallization 362 8.1.1 General Trends 362 8.1.2 Kinetics of Supersaturation Decay 362 8.1.3 Relationship between ConstantK and Antisolvent Feeding Rate RA 367 8.2 Solvation and Desolvation Processes 372 8.2.1 Origin of Minima in ΔTsw(t) Plots 373 8.2.2 Kinetics of Evolution of Minima in ΔTsw(t) Plots 374 8.3 Evolution of Desupersaturation Curves 383 8.4 Crystal Morphology 388 8.5 Growth Rate Dispersion 396 8.6 Ostwald Ripening 398 8.7 Crystal Size Distribution 403 8.8 Control of Phase and Size of Crystallizing Particles 412 References 417 9 Glass Formation and Crystallization Processes 423 9.1 Glass Formation by Cooling of Melts 424 9.2 Temperature Dependence of Viscosity and the Glass Transition Temperature 426 9.3 Composition Dependence of Glass Transition Temperature 431 9.4 Relationship between Glass Transition Temperature and Metastable Zone Width of Solutions 435 9.5 Metastable Zone Width of Melts and Glass Formation 438 9.5.1 Derivation of Basic Equations 438 9.5.2 Effect of Melt Viscosity and Additives on Z and F Parameters 441 9.5.3 Calculations of RLlim, Z, F, and TN for Molten Elements and Electrolytes 444 9.5.4 Relationship between Tg and Tm for Various Substances 446 9.5.5 Comparison of Cooling Behavior of Melts and Electrolyte Solutions 449 References 451 Appendix A Volumetric Thermal Expansion Coefficient of Melts 453 References 455 Appendix B Relationship between αV and Other Physical Properties 457 B.1 Molten Elements 457 B.2 Molten Halite-Type Electrolytes 457 Reference 461 Appendix C Relationship between Densities dm of Molten Metals and Electrolytes and Atomic Mass M 463 Reference 464 Index 465

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Book SynopsisAn introduction to the fundamental concepts and rules in bioelectrochemistry and explores latest advancements in the field Bioelectrochemical Interface Engineering offers a guide to this burgeoning interdisciplinary field. The authorsnoted experts on the topicpresent a detailed explanation of the field's basic concepts, provide a fundamental understanding of the principle of electrocatalysis, electrochemical activity of the electroactive microorganisms, and mechanisms of electron transfer at electrode-electrolyte interfaces. They also explore the design and development of bioelectrochemical systems. The authors review recent advances in the field including: the development of new bioelectrochemical configurations, new electrode materials, electrode functionalization strategies, and extremophilic electroactive microorganisms. These current developments hold the promise of powering the systems in remote locations such as deep sea and extra-terrestrial space as well as powering implantTable of ContentsList of Contributors xxi Preface xxix 1 Electrochemical Performance Analyses of Biofilms 1J. Jayapriya and V. Ramamurthy 1.1 Introduction 1 1.2 Electrochemical Principles 1 1.3 Cyclic Voltammetry 2 1.4 Electrochemical Impedance Spectroscopy 7 1.5 Electrochemical Noise (ECN) Technique 14 1.6 Conclusion 17 Acknowledgments 17 References 17 Further Reading 19 Take‐home Message 19 Test Yourself 19 2 Direct Electron Transfer in Redox Enzymes and Microorganisms 21Sheela Berchmans and T. Balamurugan 2.1 Introduction 21 2.2 Wiring Enzymes to the Electrode Surface 22 2.3 Wiring Microorganisms to the Electrode Surface 26 References 30 Take‐home Message 34 Test Yourself 34 3 Electrochemical Techniques and Applications to Characterize Single‐ and Multicellular Electric Microbial Functions 37Junki Saito, Muralidharan Murugan, Xiao Deng, Alexis Guionet, Waheed Miran, and Akihiro Okamoto 3.1 Introduction to Microbial Electrochemical Functions and Processes 37 3.2 Electrochemical Techniques Related to Single‐cell Processes 38 3.3 Electrochemical Techniques Related to Biofilm Processes 43 3.4 Techniques to Analyze Nanowires 45 References 48 Take‐home Message 52 Test Yourself 52 4 Electrochemical Analysis of Single Cells 55Maedeh Mozneb, Christine Smothers, Pablo Rodriguez, and Chen‐Zhong Li 4.1 Introduction 55 4.2 Single‐cell Analysis Applications and Current Technologies 56 4.3 Electrochemical Methods for Single‐cell Analysis 57 4.4 Microelectrodes for Single‐cell Analysis 62 4.5 Electroluminescence‐based Single‐cell Measurements 69 4.6 Lab‐on‐chip‐based Single‐cell Analysis 70 4.7 Conclusion 71 References 71 Take‐home Message 75 Test Yourself 76 5 Biocorrosion 77C. Chandrasatheesh and J. Jayapriya 5.1 Introduction 77 5.2 Microorganisms Involved in Corrosion 78 5.3 Mechanisms 80 5.4 Biocorrosion Control Strategies 82 5.5 Materials Vulnerable to Biocorrosion 83 5.6 Biocorrosion of Biomedical Implants 84 5.7 Biocorrosion Detection Techniques 85 5.8 Conclusion 86 Acknowledgements 86 References 86 Further Reading 89 Take‐home Message 89 Test Yourself 90 6 Microbial Fuel Cells: A Sustainable Technology for Pollutant Removal and Power Generation 91Somdipta Bagchi and Manaswini Behera 6.1 Introduction 91 6.2 Microbial Fuel Cells 92 6.3 Measuring Performance 94 6.4 MFC Configuration 98 6.5 Materials 100 6.6 Limitations in MFCs 104 6.7 Other MFC‐based Technologies 106 6.8 Pilot‐scale MFCs 107 References 108 Take‐home Message 115 Test Yourself 115 7 Biophotovoltaics: Molecular Mechanisms and Applications 117Angelaalincy Maria Joseph, Sangeetha Ramalingam, Pushpalatha Selvaraj, Komal Rani, Kalpana Ramaraju, Gunaseelan Sathaiah, Ashokkumar Balasubramaniem, and Varalakshmi Perumal 7.1 Introduction 117 7.2 Photocurrent Generation with Biological Catalysts 118 7.3 Photosynthetic Microbes as Photobioelectrocatalysts in BESs 119 7.4 Biocatalysts of Photosynthetic Organisms 119 7.5 Electron Transfer in Microalgae During Photosynthesis (Light Reaction) 120 7.6 Electron Transfer Mechanisms in Purple Photosynthetic Bacteria 124 7.7 Electron Transfer Mechanisms of Cyanobacteria 128 7.8 Models of Solar Energy Conversion Devices 129 7.9 Applications and Future Perspectives 131 7.10 Conclusion 132 References 132 Take‐home Message 135 Test Yourself 135 8 An Insight into Plant Microbial Fuel Cells 137Pranab Jyoti Sarma and Kaustubha Mohanty 8.1 Introduction 137 8.2 Different Types of Plants and Their Bioelectricity Generation Capabilities 138 8.3 Bioprocess Structure 139 8.4 Variation in PMFC Types, Operating Conditions, Design, Electrodes, and Membranes Used 141 8.5 PMFCs as New Electricity Generation Technology 142 8.6 Challenges of PMFCs 144 8.7 Conclusion 144 References 144 Take‐home Message 146 Test Yourself 147 9 Electroanalytical Techniques for Investigating Biofilms in Microbial Fuel Cells 149Smita S. Kumar, Vivek Kumar, and Suddhasatwa Basu 9.1 Introduction 149 9.2 Conventional Biofilm Investigation Techniques 151 9.3 Electroanalytical Techniques 151 9.4 Electrode Polarization 154 9.5 Voltammetry (LSV) 155 9.6 Scanning Tunneling Microscopy 159 9.7 Electrochemical Quartz Crystal Microbalance (e‐QCM) 159 9.8 Conclusion 160 Acknowledgments 160 References 160 Take‐home Message 162 Test Yourself 162 10 Progress in Development of Electrode Materials in Microbial Fuel Cells 165Alka Pareek and S. Venkata Mohan 10.1 Introduction 165 10.2 Electrode Materials in MFCs 166 10.3 Effect of Surface Treatment on Electrodes 176 10.4 Conclusion 177 Acknowledgments 177 References 178 Take‐home Message 185 Test Yourself 185 11 Synthetic Biology Strategies to Improve Electron Transfer Rate at the Microbe–Anode Interface in Microbial Fuel Cells 187Tian Zhang, Dipankar Ghosh, and Pier‐Luc Tremblay 11.1 Introduction 187 11.2 Extracellular Electron Transfer (EET) Mechanisms from the Microbe to the Anode 188 11.3 Synthetic Biology Strategies to Improve the EET Rate from Microbes to Anode 193 11.4 Synthetic Biology to Optimize Current Generation by Yeast 199 11.5 Conclusion 200 References 200 Take‐home Message 207 Test Yourself 208 12 Microbial Electrolysis Cells (MECs): A Promising and Green Approach for Bioenergy and Biochemical Production from Waste Resources 209Abudukeremu Kadier, Mohd Sahaid Kalil, Pankaj Kumar Rai, Smita S. Kumar, Peyman Abdeshahian, Periyasamy Sivagurunathan, Hassimi Abu Hasan, Aidil Abdul Hamid, and Azah Mohamed 12.1 Introduction 209 12.2 Fundamentals of MEC Technology 210 12.3 Crucial Factors Governing the Performance of MECs 212 12.4 Current Applications of MECs 219 12.5 Conclusion 224 Acknowledgments 224 References 224 Take‐home Message 234 Test Yourself 234 13 Microbial Desalination Cells 235Swati Sharma, Ademola Hammed, and Halis Simsek 13.1 Introduction 235 13.2 Overview of Desalination Cells 236 13.3 MDC Applications and Concepts 237 13.4 Desalination in MDCs 239 13.5 Different Configurations of MDCs 239 13.6 Conclusion 246 References 246 Take‐home Message 248 Test Yourself 248 14 Microbially Charged Redox Flow Batteries for Bioenergy Storage 251Márcia S.S. Santos, Luciana Peixoto, Célia Dias‐Ferreira, Adélio Mendes, and M. Madalena Alves 14.1 Introduction 251 14.2 Redox Flow Batteries 251 14.3 Organic Compounds for RFBs 256 14.4 Coupling RFBs with Renewable Energy Production Technologies 259 14.5 Future Perspectives 261 14.6 Conclusion 262 Acknowledgments 262 References 262 Take‐home Message 268 Test Yourself 269 15 Artificial Photosynthesis: Current Advances and Challenges 271Joanna Kargul and Małgorzata Kiliszek 15.1 Introduction 271 15.2 Basic Principles of Natural Photosynthesis 272 15.3 Artificial Photosynthetic Systems 277 15.4 Strategies for Improvement of Photoelectrode Performance 287 15.5 Operational Dye‐sensitized Solar Cells and Solar‐to‐Fuel Devices 289 15.6 Conclusion 291 Acknowledgments 292 References 292 Take‐home Message 308 Abbreviations 308 Test Yourself 309 16 Bioelectrochemical Systems for Production of Valuable Compounds 311Luciana Peixoto, Sónia G. Barbosa, M. Madalena Alves, and Maria Alcina Pereira 16.1 Introduction 311 16.2 From Electricity to Product 313 16.3 Conclusion 318 Acknowledgments 318 References 318 Take‐home Message 323 Test Yourself 323 17 Modernization of Biosensing Strategies for the Development of Lab‐on‐Chip Integrated Systems 325Sharmili Roy, Shweta J. Malode, Nagaraj P. Shetti, and Pranjal Chandra 17.1 Introduction 325 17.2 Types of Biosensors 326 17.3 Lab‐on‐Chip Technologies 334 17.4 Conclusion 336 Acknowledgment 336 References 336 Take‐home Message 341 Test Yourself 341 18 Electrochemical Immunosensors: Working Principle, Types, Scope, Applications, and Future Prospects 343Shakila Harshavardhan, Sam Ebenezer Rajadas, Kevin Kumar Vijayakumar, Willsingh Anbu Durai, Andy Ramu, and Rajan Mariappan 18.1 Introduction 343 18.2 Immunosensors in Protein Immunoassays 345 18.3 Types of Immunosensors 346 18.4 Impedimetric Immunosensors 348 18.5 Potentiometric Immunosensors 352 18.6 Voltammetric and Amperometric Immunosensors 353 18.7 Conductometric Immunosensors 355 18.8 Capacitive Immunosensors 356 18.9 Role of Nanomaterials in Immunosensors 357 18.10 Applications of Immunosensors 358 18.11 Conclusion 360 References 361 Take‐home Message 368 Test Yourself 368 19 Recent Updates on Inkjet‐Printed Sensors 371Naresh Kumar Mani, Anusha Prabhu, and Annamalai Senthil Kumar 19.1 Introduction 371 19.2 Inkjet‐Printed Electrochemical‐Based Sensors 372 19.3 Inkjet‐Printed Colorimetric‐based Sensors 377 19.4 Inkjet‐Printed Fluorescence‐based Sensors 378 19.5 Other Techniques and Developed Devices 379 19.6 Summary and Future Perspectives 381 Acknowledgments 381 References 381 Take‐home Message 384 Test Yourself 384 20 Electrochemical Systems for Healthcare Applications 385Pandiaraj Manickam, Vairamani Kanagavel, Apurva Sonawane, S.P. Thipperudraswamy, and Shekhar Bhansali 20.1 Introduction 385 20.2 Point‐of‐care Sensor Systems 386 20.3 Wearable Electrochemical Systems 393 20.4 Implantable Electrochemical Nanodevices 401 20.5 Conclusion 405 Acknowledgments 405 References 405 Take‐home Message 409 Test Yourself 409 21 Synthetic Strategies of Nanobioconjugates for Bioelectrochemical Applications 411T. Selvamani, D. Gangadharan, and Sambandam Anandan 21.1 Introduction 411 21.2 Fabrication Processes of Nanobioconjugated Systems 412 21.3 Applications of Nanobioconjugates 423 21.4 Conclusion 426 References 426 Take‐home Message 429 Test Yourself 429 22 Electrochemical Biosensors with Nanointerface for Food, Water Quality, and Healthcare Applications 431John Bosco Balaguru Rayappan, Noel Nesakumar, Lakshmishri Ramachandra Bhat, Manju Bhargavi Gumpu, K. Jayanth Babu, and Arockia Jayalatha JBB 22.1 Introduction 431 22.2 Enzymatic Redox‐type Biosensors 440 22.3 Water 446 22.4 Enzymatic Inhibition–type Biosensors 452 22.5 Water Quality 455 22.6 Conclusion 456 Acknowledgments 457 References 457 Take‐home Message 466 Test Yourself 467 23 Enzymatic Electrode–Electrolyte Interface Study During Electrochemical Sensing of Biomolecules 469Ashish Kumar, Priya Singh, and Rajiv Prakash 23.1 Introduction 469 23.2 Conducting Substrates for Sensing Applications 470 23.3 Sensing Techniques 472 23.4 Electrochemical Techniques for Sensing Analytes 472 23.5 Different Modified Electrodes for Enzyme Functionalization 474 23.6 A Plausible Mechanism of Electron Transfer: An Electrochemical Equivalent Circuit Analysis 474 23.7 Enzyme‐less Glucose Oxidation: Off Course for a New Generation? 476 23.8 Conclusion 477 References 477 Take‐home Message 483 Test Yourself 483 24 Quantum Dots for Bioelectrochemical Applications 485İlker Polatoğlu, Erdal Eroğlu, and Levent Aydın 24.1 Introduction 485 24.2 Nanotechnology 485 24.3 Structure of QDs 486 24.4 Characteristics of QDs 487 24.5 Synthesis Processes 488 24.6 Electrochemical Sensing of QDs 489 24.7 Biosensor Technology 490 24.8 Bioelectrochemical Applications of QDs 491 24.9 QDs: Modeling and Optimizations 494 24.10 Conclusion 498 References 498 Take‐home Message 502 Test Yourself 502 25 Enzymatic Self‐powered Biosensing Devices 505Felismina T.C. Moreira, Manuela F. Frasco, Sónia G. Barbosa, Luciana Peixoto, M. Madalena Alves, and M. Goreti F. Sales 25.1 Enzymatic Fuel Cells 505 25.2 Electron Transfer Mechanisms 505 25.3 Enzyme Immobilization 507 25.4 EFC‐based Biosensors 509 25.5 Conclusion 514 Acknowledgments 515 References 515 Take‐home Message 519 Test Yourself 519 Index 521

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Book SynopsisSTUDY GUIDE FOR Alive and Well at the End of the Day Teaching aid underscoring the principles of effective safety leadership The Second Edition of Alive and Well at the End of the Day provides industrial leaders in operations with practical solutions to the tough safety leadership challenges they must manage. The book describes in detail the nature of those challenges (what makes them that tough) and offers proven best practices to successfully deal with them. The Study Guide is designed as a teaching aid for the Alive and Well book. Created by the highly experienced training specialists of Balmert Consulting, the Study Guide uses training best practices to help affix the concepts of Alive and Well in the minds of professional students. The use of strategically-crafted questionsboth at the beginning and end of each review sessionallows the student to work with the material conceptually, becoming more familiar and facile Table of ContentsTABLE OF CONTENTS Chapter 1 The Leadership Challenge Chapter 2 The Case for Safety Chapter 3 The Practice of Leadership Chapter 4 Moments of High Influence Chapter 5 Managing by Walking Around Chapter 6 Following All the Rules … All the Time Chapter 7 Recognizing Hazards and Managing Risk Chapter 8 Behavior, Consequences—and Attitude! Chapter 9 The Power of Questions Chapter 10 Making Change Happen Chapter 11 Understanding What Went Wrong Chapter 12 Managing Accountability Chapter 13 Managing Safety Suggestions Chapter 14 Safety Meetings Worth Having Chapter 15 Creating the Culture You Want Chapter 16 Investing in Training Chapter 17 Measuring Safety Performance Chapter 18 Managing Safety Dilemmas Chapter 19 Leading From the Middle Chapter 20 Mistakes Managers Make Chapter 21 Driving Execution Chapter 22 Making a Difference

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Book SynopsisHandling of powders and bulk solids is a critical industrial technology across a broad spectrum of industries. This book provides the reader with an understanding of the techniques, importance and application of particulate materials characterisation.Trade Review"The book covers the fundamental characteristics of individual particles and bulk particulate materials, including particle size, shape and density, bulk density, fluidisation behaviour, flow properties, and the characterization of powders for explosion potential. Measurement techniques are described, and the use of material characteristics in design and industrial practice is discussed." (CAB Abstracts)Table of Contents1. Characterising Particle Properties. 2. Powder Mechanics and Rheology. 3. Characterisation for Hopper and Stockpile Design. 4. Fluidisation Behaviour. 5. Characterisation for Pneumatic Conveyor Design. 6. Explosiblility. 7. “Designer” Particle Characteristics. 8. Current Industrial Practice. 9. Future Trends

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Book SynopsisCeramic composites are leading candidate materials for high-temperature structural applications. This new book updates readers on the latest in state-of-the-art ceramic composite processing and fabrication methods, process modeling, processing-microstructure-property relationships, mechanical behavior, and characterization. Many of the most important aspects necessary for the understanding and further development of ceramic composites is covered in this volume. It will be of great interest to the technical community involved in advanced ceramic composite processing, characterization, component development, and manufacturing. Proceedings of the symposium held at the 104th Annual Meeting of The American Ceramic Society, April 28-May1, 2002 in Missouri; Ceramic Transactions, Volume 139.Table of ContentsPreface vii Processing and Fabrication Methods Ceramic Matrix- and Layer-Composites in Advanced Automobile Technology 3 Michael Buchmann, Rainer Gadow, Dietmar Scherer; and Marcus Speicher Processing and Properties of Co-Extruded Diamond and Carbide Fibrous Monoliths 19 Greg Hilmas,Tieshu Huang, Zhigang Zak Fang, Brian White, and Anthony Griffo Low-Temperature Infiltration of Boron Carbide-Aluminum Composites 27 Fuhong Zhang, Kevin RTrumble, and Keith J. Bowman Hard and Tough ZrO2-WC Composites from Nanosized Powders 39 G. Anne, S. Put, J.VIeugels, and O.Van Der Biest Pressureless Sintering of Al2O3-TiC Powders Produced from Carbon Coated Precursors 51 Hisashi Kaga, Kevin B. Newman, and Rasit Koc Process Modeling Finite Element Simulation of Compaction and Sintering of Tiles Having Two Layers of Powders 59 Manabu Umeda, Ken-ichiro Mori, and Morito Murakami Composite Bearing Based on "Metal-Viscous-Elastic Material (Polymer)-Soft Metal-Ceramics" Composition 71 Maksim V Kireitseu, LYYerakhavets, M.A. Belotserkovski, and V.L. Basenuk Processing-Microstructure-Property Relationships Monoclinic-to-Tetragonal Transformation and Mechanical Property Recovery in Low Temperature Water-Degraded 3Y-TZP Processed by a Carburizing Treatment 89 Zhenbo Zhao, Cheng Liu, and Derek O. Northwood Hard Oxide Ceramic Composite Modified by Ultra-Dispersed Diamonds 101 Maksim Kireitseu Mechanical Behavior Crack Propagation and Fracture Resistance Behavior Under Fatigue Loading of a Ceramic Matrix Composite 113 D. Ghosh and R.N. Singh Specimen Size Effect on the In-Plane Shear Properties of SiC/SiC Composites 127 Takashi Nozawa,Yutai Katoh.Akira Kohyama, and Edgar Lara-Curzio Solid-Particle Erosion of ZrSiO4 Fibrous Monoliths 139 K.C. Goretta, F. Gutierrez-Mora, J.Tran, J. Katz, J.L Routbort.T.S. Orlova, and A.R. de Arellano-Löpez Characterization Nondestructive Evaluation (NDE) and Tension Behavior of Nextel/Blackglas Composites 149 J. Kim, B.Yang, R K. Liaw, and H.Wang Index 161

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Book SynopsisPlastics may undergo an industrial treatment for many reasons including strength, chemical inertness, biodegradability, and heat resistance. Providing an overview of the various treatments utilized in the plastics industry, this title examines the numerous treatments in use as well as the differences in treatments based on the type of plastic and the type of component being treated.Table of ContentsPreface. Chapter 1. Introduction. Chapter 2. Polymers. 2.1. Definitions. 2.2. Plastics classification. 2.3. General properties. 2.4. Further reading. Chapter 3. Converting Processes. 3.1. Manufacture of Molded parts in 3D. 3.2. Manufacture of long products. 3.3. Manufacture of hollow products. 3.4. Manufacturer of thermoformed parts. 3.5. Manufacture of foamed products. 3.6. Machining and cutting. Chapter 4. Assembly and Fixations. 4.1. Undemountable processes. 4.2. Demountable assemblies. Chapter 5. Finishing Treatments. 5.1. Plastics deposition on metal (o metal coating). 5.2. Metal deposition on plastics. 5.3. Printing and decorating. Chapter 6. Ecology and recycling. 6.1. Nuisance and pollution. 6.2. Solid waste treatment. Chapter 7. Mold Making. 7.1. Standard molds. 7.2. New mold concepts. Chapter 8. Economic Data. 8.1. Costs and Prices. 8.2. Structure of the plastics industry. 8.3. Markets. Chapter 9. Trends. 9.1. Polymers. 9.2. Conversion processes. Appendix. Symbols Used. Index.

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Book SynopsisNearly all solids are compised of grains. However most studies treat materials as a continious solid. The book applies analysis used on loose granular materials to dense grainular materials. This title’s main focus is devoted to static or dynamic loadings applied to dense materials, although rapid flows and widely dispersed media are also mentioned briefly. Three essential areas are covered: Local variable analysis: Contact forces, displacements and rotations, orientation of contacting particles and fabric tensors are all examples of local variables. Their statistical distributions, such as spatial distribution and possible localization, are analyzed, taking into account experimental results or numerical simulations. Change of scales procedures: Also known as “homogenization techniques”, these procedures make it possible to construct continuum laws to be used in a continuum mechanics approach or performing smaller scale analyses. Numerical modeling: Several methods designed to calculate approximate solutions of dynamical equations together with unilateral contact and frictional laws are presented, including molecular dynamics, the distinct element method and non-smooth contact dynamics. Numerical examples are given and the quality of numerical approximations is discussed.Trade Review"The book will be useful for students and specialists working in this scientific area." (Zentralblatt MATH, 2011) Table of ContentsIntroduction xiii Chapter 1. Experimental and Numerical Analysis of Local Variables in Granular Materials 1 Farhang RADJAÏ and Jack LANIER 1.1. Introduction 1 1.2. Description of granular texture 3 1.3. Granular kinematics 20 1.4. Force transmission 31 1.5. Conclusion 44 1.6. Bibliography 45 Chapter 2. The Stress Tensor in Granular Media and in other Mechanical Collections 51 Jean-Jacques MOREAU 2.1. Introduction 51 2.2. Efforts and virtual power 59 2.3. Equilibrium 65 2.4. Comparison with the pair-by-pair approach 76 2.5. Directions of cut 83 2.6. Coarse graining the equation of Statics 90 2.7. One step into Dynamics 91 2.8. Bibliography 97 Chapter 3. Multiscale Techniques for Granular Materials 101 Bernard CAMBOU, Alexandre DANESCU 3.1. Introduction 101 3.2. Scale change andfabric tensors 102 3.3. Change of scale for static variables . 112 3.4. Change of scale for kinematic variables in granular materials 115 3.5. Statistical homogenization in granular materials 131 3.6. Bibliography 145 Chapter 4. Numerical Simulation of Granular Materials 149 Michel JEAN 4.1. Introduction 149 4.2. The actors of a contact problem 152 4.3. Kinematic relations 167 4.4. The dynamical equation 174 4.5. Frictional contact laws 179 4.6. The equations governing a collection of contacting bodies 196 4.7. Preparing numerical samples 198 4.8. Smooth DEM numerical methods 206 4.9. Non-smooth DEM numerical methods 216 4.10. Some illustrating examples 227 4.11. Quasi-static evolutions, equilibrium dedicated methods 234 4.12. Accuracy criteria 241 4.13. Indetermination in granular materials 246 4.14. Stability 265 4.15. Numerical integration schemes 275 4.16. More non-smooth DEM methods 284 4.17. Signorini μ-Coulomb derived laws 292 4.18. Conclusion 301 4.19. Appendix: basic convex analysis 303 4.20. Bibliography 307 Chapter 5. Frictionless Unilateral Multibody Dynamics 317 Patrick BALLARD 5.1. Introduction 317 5.2. The dynamics of rigid body systems 318 5.3. The dynamics of rigid body systems with perfect bilateral constraints 322 5.4. The dynamics of rigid body systems with perfect unilateral constraints 326 5.5. Bibliography 340 List of Authors 343 Index 345

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Book SynopsisThis book brings together in a single volume various methods and skills for particle-scale or discrete-element numerical simulation of granular media. It covers a broad range of topics from basic concepts and methods towards more advanced aspects and technical details applicable to the current research on granular materials. Discrete-element simulations of granular materials are based on four basic models (molecular dynamics, contact dynamics, quasi-static and event driven) dealing with frictional contact interactions and integration schemes for the equations of dynamics. These models are presented in the first chapters of the book, followed by various methods for sample preparation and monitoring of boundary conditions, as well as dimensionless control parameters. Granular materials encountered in real life involve a variety of compositions (particle shapes and size distributions) and interactions (cohesive, hydrodynamic, thermal) that have been extensively covered by several chapters. The book ends with two applications in the field of geo-materials.

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Book SynopsisProcess Engineering, the science and art of transforming raw materials and energy into a vast array of commercial materials, was conceived at the end of the 19th Century. Its history in the role of the Process Industries has been quite honorable, and techniques and products have contributed to improve health, welfare and quality of life. Today, industrial enterprises, which are still a major source of wealth, have to deal with new challenges in a global world. They need to reconsider their strategy taking into account environmental constraints, social requirements, profit, competition, and resource depletion. “Systems thinking” is a prerequisite from process development at the lab level to good project management. New manufacturing concepts have to be considered, taking into account LCA, supply chain management, recycling, plant flexibility, continuous development, process intensification and innovation. This book combines experience from academia and industry in the field of industrialization, i.e. in all processes involved in the conversion of research into successful operations. Enterprises are facing major challenges in a world of fierce competition and globalization. Process engineering techniques provide Process Industries with the necessary tools to cope with these issues. The chapters of this book give a new approach to the management of technology, projects and manufacturing. Contents Part 1: The Company as of Today 1. The Industrial Company: its Purpose, History, Context, and its Tomorrow?, Jean-Pierre Dal Pont. 2. The Two Modes of Operation of the Company – Operational and Entrepreneurial, Jean-Pierre Dal Pont. 3. The Strategic Management of the Company: Industrial Aspects, Jean-Pierre Dal Pont. Part 2: Process Development and Industrialization 4. Chemical Engineering and Process Engineering, Jean-Pierre Dal Pont. 5. Foundations of Process Industrialization, Jean-François Joly. 6. The Industrialization Process: Preliminary Projects, Jean-Pierre Dal Pont and Michel Royer. 7. Lifecycle Analysis and Eco-Design: Innovation Tools for Sustainable Industrial Chemistry, Sylvain Caillol. 8. Methods for Design and Evaluation of Sustainable Processes and Industrial Systems, Catherine Azzaro-Pantel. 9. Project Management Techniques: Engineering, Jean-Pierre Dal Pont. Part 3: The Necessary Adaptation of the Company for the Future 10. Japanese Methods, Jean-Pierre Dal Pont. 11. Innovation in Chemical Engineering Industries, Oliver Potier and Mauricio Camargo. 12. The Place of Intensified Processes in the Plant of the Future, Laurent Falk. 13. Change Management, Jean-Pierre Dal Pont. 14. The Plant of the Future, Jean-Pierre Dal Pont.Table of ContentsForeword xv Richard DARTON Foreword xvii Jean PELIN Introduction xix Jean-Pierre DAL PONT Acknowledgments xxv PART 1: THE COMPANY AS OF TODAY 1 Chapter 1. The Industrial Company: its Purpose, History, Context, and its Tomorrow? 3 Jean-Pierre DAL PONT 1.1. Purpose, structure, typology 4 1.2. A centennial history 8 1.3. New challenges imposed by globalization and sustainable development 24 1.4. Our planet 32 1.5. The company of tomorrow. Some thoughts 45 1.6. Bibliography 49 Chapter 2. The Two Modes of Operation of the Company – Operational and Entrepreneurial 51 Jean-Pierre DAL PONT 2.1. Operational mode 53 2.2. Entrepreneurial mode, project management – the operational/entrepreneurial conflict 96 2.3. Bibliography 99 Chapter 3. The Strategic Management of the Company: Industrial Aspects 101 Jean-Pierre DAL PONT 3.1. Systemic view of the industrial company 102 3.2. Strategy and strategic analysis of the company 103 3.3. Development of the strategic plan: its deliverables 107 3.4. Technological choices and vocations 108 3.5. Bibliography 111 PART 2: PROCESS DEVELOPMENT AND INDUSTRIALIZATION 113 Chapter 4. Chemical Engineering and Process Engineering 115 Jean-Pierre DAL PONT 4.1. History of chemical engineering and process engineering 115 4.2. Process engineering 119 4.3. The chemical reactor 121 4.4. Bioreactors 126 4.5. Transportation and transfers 129 4.6. Unit operations 131 4.7. Separation processes: process engineering and the new challenges for life sciences 141 4.8. Acknowledgments 144 4.9. Bibliography 145 Chapter 5. Foundations of Process Industrialization 147 Jean-François JOLY 5.1. Introduction 147 5.2. The various stages of process development: from research to the foundations of industrialization 148 5.3. The pre-study (or pre-development process) 149 5.4. Development stage of the process 157 5.5. General conclusion 184 5.6. Bibliography 186 5.7. List of acronyms 188 Chapter 6. The Industrialization Process: Preliminary Projects 189 Jean-Pierre DAL PONT and Michel ROYER 6.1. Steps of industrialization 192 6.2. Bases of industrialization or process development 193 6.3. Feasibility study 194 6.4. Cost and typical duration of industrialization studies 198 6.5. Content of an industrialization project – conceptual engineering 199 6.6. Typical organization of an industrialization project 201 6.7. Business/industrial interface 202 6.8. Typology of industrialization projects 204 6.9. The industrial preliminary projects 205 6.10. Selection of production sites 209 6.11. The consideration of sustainability in the preliminary projects 210 6.12. Tips for conducting preliminary projects 215 6.13. Modification of the project scope 222 6.14. Host site 223 6.15. Reporting 228 6.16. Bibliography 232 Chapter 7. Lifecycle Analysis and Eco-Design: Innovation Tools for Sustainable Industrial Chemistry 233 Sylvain CAILLOL 7.1. Contextual elements 233 7.2. The chemical industry mobilized against upheavals 237 7.3. The lifecycle analysis, an eco-design tool – definitions and concepts 243 7.4. Innovation through eco-design 258 7.5. Limits of the tool 267 7.6. Conclusion: the future of eco-design 271 7.7. Bibliography 273 Chapter 8. Methods for Design and Evaluation of Sustainable Processes and Industrial Systems 275 Catherine AZZARO-PANTEL 8.1. Introduction 275 8.2. AIChE and IChemE metrics 279 8.3. Potential environmental impact index (waste reduction algorithm) 286 8.4. SPI (Sustainable Process Index) 292 8.5. Exergy as a thermodynamic base for a sustainable development metrics 294 8.6. Indicators resulting from a lifecycle assessment 294 8.7. Process design methods and sustainable systems 297 8.8. Conclusion 299 8.9. Bibliography 301 Chapter 9. Project Management Techniques: Engineering 307 Jean-Pierre DAL PONT 9.1. Engineer and engineering 307 9.2. Project organization 310 9.3. Management tools for industrial projects 314 9.4. The engineering project: from Process Engineering to the start of the facility 331 9.5. The amount of investment 346 9.6. Profitability on investment [DOR 81, MIK 10] 350 9.7. Conclusion 353 9.8. Bibliography 353 PART 3: THE NECESSARY ADAPTATION OF THE COMPANY FOR THE FUTURE 355 Chapter 10. Japanese Methods 357 Jean-Pierre DAL PONT 10.1. Japan from the Meiji era to now. The origin of the Japanese miracle 357 10.2. W.E. Deming and Japan 359 10.3. The Toyoda family – Taiichi Ohno – The Toyota Empire 362 10.4. Toyotism 363 10.5. The American response 368 10.6. Bibliography 369 Chapter 11. Innovation in Chemical Engineering Industries 371 Oliver POTIER and Mauricio CAMARGO 11.1. Definition of innovation 372 11.2. Field of innovation in the chemical engineering industry 376 11.3. The need for innovation 377 11.4. Methods for innovation in chemical engineering industry 380 11.5. Conclusion 395 11.6. Bibliography 396 Chapter 12. The Place of Intensified Processes in the Plant of the Future 401 Laurent FALK 12.1. Process intensification in the context of sustainable development 401 12.2. Main principles of intensification 404 12.3. Connection between intensification and miniaturization 408 12.4. Applications 414 12.5. New economic models implied by process intensification 416 12.6. Conclusion 429 12.7. Bibliography 430 Chapter 13. Change Management 437 Jean-Pierre DAL PONT 13.1. The company: adapt or die 438 13.2. The company: processes and know-how 438 13.3. Human aspects of change 444 13.4. Basic tools for change management 447 13.5. Changes and improvement of the industrial facility 454 13.6. Re-engineering, the American way 461 13.7. Conclusion 462 13.8. Bibliography 463 Chapter 14. The Plant of the Future 465 Jean-Pierre DAL PONT 14.1. Developed countries – companies – industrial firms 466 14.2. Typology of means of production 469 14.3. Product and plant design 473 14.4. Management of production and operations (MPO) 477 14.5. The IT revolution – IT management 479 14.6. And the individual? 480 14.7. Conclusion 481 14.8. Bibliography 482 List of Authors 485 Index 487

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Book SynopsisThe main purpose of this book is to put forward the fundamental role of grain boundaries in the plasticity of crystalline materials. To understand this role requires a multi-scale approach to plasticity: starting from the atomic description of a grain boundary and its defects, moving on to the elemental interaction processes between dislocations and grain boundaries, and finally showing how the microscopic phenomena influence the macroscopic behaviors and constitutive laws. It involves bringing together physical, chemical and mechanical studies. The investigated properties are: deformation at low and high temperature, creep, fatigue and rupture.Table of ContentsPreface xi Chapter 1. Grain Boundary Structures and Defects 1 Jany THIBAULT-PENISSON and Louisette PRIESTER 1.1. Equilibrium structure of grain boundaries 1 1.2. Crystalline defects of grain boundaries 18 1.3. Conclusion 41 1.4. Bibliography 42 Chapter 2. Elementary Grain Boundary Deformation Mechanisms 47 Jean-Philippe COUZINIE and Louisette PRIESTER 2.1. Dislocation in close proximity to a grain boundary 48 2.2. Elastic interaction between dislocations and grain boundaries: image force 49 2.3. Short range (or core) interaction between dislocations and grain boundaries 52 2.4. Relaxation of stress fields associated with extrinsic dislocations 81 2.5. Relationships between elementary interface mechanisms and mechanical behaviors of materials 98 2.6. Bibliography 102 Chapter 3. Grain Boundaries in Cold Deformation 109 Colette REY, Denis SOLAS and Olivier FANDEUR 3.1. Introduction 109 3.2. Plastic compatibility and incompatibility of deformation at grain boundaries 111 3.3. Internal stresses in polycrystal grains 117 3.4. Modeling local mechanical fields using the finite element method (FEM)129 3.5. Hall-Petch’s law, geometrically necessary dislocations 139 3.6. Sub-grain boundaries and grain boundaries in deformation and recrystallization 145 3.7. Conclusion 155 3.8. Bibliography 156 Chapter 4. Creep and High Temperature Plasticity: Grain Boundary Dynamics 165 Sylvie LARTIGUE-KORINEK and Claude Paul CARRY 4.1. Introduction 165 4.2. Grain boundaries and grain growth 168 4.3. Grain boundaries and creep: mechanisms and phenomenological laws 174 4.4. Grain boundaries and superplasticity 197 4.5. Prospects: creep of nanograined materials 208 4.6. Bibliography 209 Chapter 5. Intergranular Fatigue 217 André PINEAU and Stephen ANTOLOVICH 5.1. Introduction 217 5.2. Low temperature intergranular fatigue 221 5.3. High temperature fatigue 252 5.4. Conclusion 271 5.5. Acknowledgements 272 5.6. Bibliography 272 Chapter 6. Intergranular Segregation and Crystalline Material Fracture 281 Anna FRACZKIEWICZ and Krzysztof WOLSKI 6.1. Grain boundaries and fracture 282 6.2. Intergranular segregation 286 6.3. Segregation and intergranular fracture 297 6.4. Intergranular fracture induced by liquid metals 308 6.5. General conclusion 320 6.6. Bibliography 321 APPENDICES 327 Appendix 1. Bicrystallography and Topological Characterization of Interfacial Defects 329 Sylvie LARTIGUE-KORINEK and Louisette PRIESTER Appendix 2. Appendices of Chapter 3 333 Colette REY, Denis SOLAS and Olivier FANDEUR List of Authors 341 Index 343

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Book SynopsisThis book aims to rehabilitate kinetic modeling in the domain of polymer ageing, where it has been almost abandoned by the research community. Kinetic modeling is a key step for lifetime prediction, a crucial problem in many industrial domains in which needs cannot be satisfied by the common empirical methods.The book proposes a renewed approach of lifetime prediction in polymer oxidative ageing. This approach is based on kinetic models built from relatively simple mechanistic schemes but integrating physical processes (oxygen diffusion and stabilizer transport), and use property (for instance mechanical failure) changes. An important chapter is dedicated to radiation-induced oxidation and its most important applications: radiochemical ageing at low dose rates and photo-chemical ageing under solar radiation. There is also a chapter devoted to the problem of ageing under coupled oxidation and mechanical loading.Table of ContentsAcknowledgements xi General Introduction xiii Chapter 1. Methodological Aspects 1 1.1. Definitions 1 1.2. Empirical and semi-empirical models 4 1.3. Towards a non-empirical method of lifetime prediction 8 1.4. Arguments against kinetic modeling 11 1.5. Principles of model elaboration 15 Chapter 2. Aspects Common to all Oxidation Processes 17 2.1. Oxidation: a radical chain mechanism 17 2.2. Propagation 20 2.3. Termination 25 2.4. Initiation 30 2.5. Thermodynamic aspects 41 Chapter 3. Basic Kinetic Schemes 45 3.1. Simplifying hypotheses 45 3.2. The ASEC scheme 50 3.3. The ASCTL scheme 54 3.4. The BESC scheme 57 3.5. The BASC scheme 66 3.6. Other schemes 74 3.7. General problems of kinetic analysis of polymer oxidation. The outlines of a new approach 85 Chapter 4. Oxidation and Oxygen Diffusion 93 4.1. Properties of oxygen transport in polymers 93 4.2. The reaction/diffusion equation 101 Chapter 5. Stabilization 111 5.1. Principles of stabilization 111 5.2. Action on hydroperoxide decomposition 113 5.3. Stabilization by capture of P° radicals 117 5.4. Stabilization by capture of POO° radicals 119 5.5. Synergistic mixtures HD + CBA 125 5.6. Polyfunctional stabilizers 126 5.7. Hindered amines 127 5.8. Other stabilizing mechanisms 131 5.9. Physical aspects of stabilization by additives 131 Chapter 6. Molecular Mobility and Reactivity 145 6.1. The issue . 145 6.2. The chemical way . . 149 6.3. The physical way . . 154 6.4. Control by diffusion of macromolecular reactive species and heterogeneity 158 6.5. The paradox of thermostability in glassy polymers 161 Chapter 7. Structural Changes Caused by Oxidation 163 7.1. On the molecular scale 163 7.2. On the macromolecular scale 175 7.3. On the morphological scale 192 Chapter 8. Effects of Oxidation on Physical and Mechanical Properties 203 8.1. Introduction 203 8.2. Weight changes 204 8.3. Changes in density and volume 207 8.4. Optical properties 210 8.5. Electrical properties 215 8.6. Glass transition and melting 218 8.7. Mechanical properties at low strains 223 8.8. Fracture properties in the case of homogeneous degradation. 230 8.9. Fracture properties in the case of homogeneous crosslinking 243 Chapter 9. Couplings 249 9.1. Introduction 249 9.2. “Spontaneous” cracking 250 9.3. Coupling between cracking and oxidation 252 9.4. Lifetime under static strain and oxidation 254 9.5. Physical ageing and oxidation 264 9.6. Oxidation during processing – degradation and recycling 266 Chapter 10. Oxidation Under Irradiation 277 10.1. Definitions. General aspects 277 10.2. Radiochemical initiation 283 10.3. A perculiarity of radiochemical ageing 288 10.4. Photochemical initiation 291 10.5. Photostabilization 300 10.6. Ageing under natural sunlight 308 Bibliography 321 Appendix 347 Index 353

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