Chemical physics Books

Book SynopsisThis book presents the main principles and methods of nonequilibrium statistical mechanics, a topic studied by both chemists and physicists. This book is written for graduate students and scientists who already have knowledge of basic equilibrium statistical mechanics and who are interested in the more complex field of time-dependent nonequilibrium statistical mechanics.Table of Contents1. Brownian Motion and Langevin equations ; 2. Fokker-Planck equations ; 3. Master equations ; 4. Reaction rates ; 5. Kinetic models ; 6. Quantum dynamics ; 7. Linear response theory ; 8. Projection operators ; 9. Nonlinear problems ; 10. The paradoxes of irreversibility ; Appendices

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Book SynopsisThis book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing both experiment and theory. Simulations provide detailed information about structure and dynamics, essential to understand the many fluid systems that play a key role in our daily lives: polymers, gels, colloidal suspensions, liquid crystals, biological membranes, and glasses. The second edition of this pioneering book aims to explain how simulation programs work, how to use them, and how to interpret the results, with examples of the latest research in this rapidly evolving field. Accompanying programs in Fortran and Python provide practical, hands-on, illustrations of the ideas in the text.Trade ReviewThis new edition is a welcome update and has kept the strengths of the first edition and been thoroughly refreshed and expanded for the modern age. Whilst there is now much more competition for a textbook such as this, the new edition stands head-and-shoulders above the others and is therefore strongly recommended. * Matt Probert, Contemporary Physics *Table of Contents1: Introduction 2: Statistical mechanics 3: Molecular dynamics 4: Monte Carlo methods 5: Some tricks of the trade 6: Long-range forces 7: Parallel simulation 8: How to analyse the results 9: Advanced Monte Carlo methods 10: Rare event simulation 11: Nonequilibrium molecular dynamics 12: Mesoscale methods 13: Quantum simulations 14: Inhomogeneous fluids App. A Computers and computer simulation App. B Reduced units App. C Calculation of forces and torques App. D Fourier transforms and series App. E Random numbers App. F Configurational temperature

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Book SynopsisThis book consists of over 422 problems and their acceptable answers on structural inorganic chemistry at the senior undergraduate and beginning graduate level. The central theme running through these questions is symmetry, bonding and structure: molecular or crystalline. A wide variety of topics are covered, including Electronic States and Configurations of Atoms and Molecules, Introductory Quantum Chemistry, Atomic Orbitals, Hybrid Orbitals, Molecular Symmetry, Molecular Geometry and Bonding, Crystal Field Theory, Molecular Orbital Theory, Vibrational Spectroscopy, Crystal Structure, Transition Metal Chemistry, Metal Clusters: Bonding and Reactivity, and Bioinorganic Chemistry. The questions collected here originate from the examination papers and take-home assignments arising from the teaching of courses in Chemical Bonding, Elementary Quantum Chemistry, Advanced Inorganic Chemistry, and X-Ray Crystallography by the book''s two senior authors over the past five decades. The questions have been tested by generations of students taking these courses.The questions in this volume cover essentially all the topics in a typical course in structural inorganic chemistry.The text may be used as a supplement for a variety of inorganic chemistry courses at the senior undergraduate level. It also serves as a problem text to accompany the book Advanced Structural Inorganic Chemistry, co-authored by W.-K. Li, G.-D. Zhou, and T. C. W. Mak (Oxford University Press, 2008).Trade ReviewProblems were selected carefully and presented in a clear way ... The Solutions sections are particularly valuable, as each case is explained extensively, contributing to the insight of the reader into the specific issuethis text can be a valuable aid not only for students but also for lecturers, who could be inspired by it to design new problems and/or discussion themes for their classes. * Michele Catti, Acta Crystallographica *Review from previous edition For the teacher, the authors have produced a splendid bank of questions and complete answers. Even more, this work will provide the inspiration for the generation of many more problems that lecturers will undoubtedly be able to tailor to their own courses in these general areas,which remain at the core of modern teaching in inorganic chemistry. For libraries, individual academics and for research groups alike, this book of Problems in Structural Inorganic Chemistry is an essential purchase as an accompaniment to the main text of Advanced Structural Inorganic Chemistry. * David Collison, Crystallography Reviews *The outstanding quality of the content, the high quality printing and the affordable paperback edition make Problems in Structural Inorganic Chemistry highly attractive for students and instructors especially in inorganic and physical chemistry. * Michael Ruck, Acta Crystallographica Section B *Challenging but well explained by the comprehensive solutions [...] A valuable resource for both students and lecturers. * Chemistry World *Table of Contents1: Electronic States and Configurations of Atoms and Molecules 2: Introductory Quantum Chemistry 3: Atomic Orbitals 4: Hybrid Orbitals 5: Molecular Symmetry 6: Molecular Geometry and Bonding 7: Crystal Field Theory 8: Molecular Orbital Theory 9: Vibrational Spectroscopy 10: Crystal Structure 11: Transition Metal Chemistry 12: Metal Clusters: Bonding and Reactivity 13: Bioinorganic Chemistry

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Book SynopsisOxide Thin Films and Nanostructures is an interdisciplinary approach to introduce readers to the field of oxide nano-materials, that is oxides of nano-meter size and dimensions. Emphasis is put to differentiate these nanoscale oxide objects from their solid bulk oxide parents and present their properties in a pedagogic way.Trade ReviewThe authors of Oxide Thin Films and Nanostructures have produced a state-of-the-art reference on the topic, an interesting book reflecting the longstanding experience of its authors. * Axel Mainzer Koenig, Optics and Phonetic News, Optica *A very timely book. Oxides are all over the places on Earth and have proven of paramount importance in modern technologies. The book provides a good equilibrium between technical aspects and applications. * Gerald Bastard, Physics Department, Ecole Normale Superieure, Paris *The book should have interdisciplinary appeal. There have been tremendous advances made in understanding oxide films and structures at the nano level, and the importance of such systems in solid state chemistry, physics, materials science, applied physics etc. * Neil Allan, School of Chemistry, University of Bristol *Table of Contents1: Introduction 2: Growth of oxide thin films and nanoparticles: methods of fabrication 3: Methods of study 4: Oxide thin film properties 5: Two-dimensional oxides 6: Oxide nanoparticles 7: Clay mineral layers and nanoparticles 8: Surface chemistry, energy conversion and related applications 9: Synopsis and outlook

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Book SynopsisThis book is an expanded and updated version of Part III of the authors'' previous work, Advanced Structural Inorganic Chemistry (OUP 2008). The original part deals with main-group elements, the rare-earth elements, transition-metal clusters, and supramolecular systems. In this new book, selected material from significant advances in the past decade has been added, with particular emphasis on compounds that exemplify new types of bonds such as sigma-hole, triel bond, tetrel bond, pnictogen bond, chalcogen bond, halogen bond, halogen-halogen interaction, aerogen bond, as well as quintuple and sextuple metal-metal bonds. Other new topics include actinide compounds, metallophilicity, heterometallic macrocycles and cages, com- and dis-proportionation reactions, hydrogen-bonded organic frameworks (HOFs), halogen-bonded organic frameworks, halogen-halogen interactions in supramolecular frameworks, covalent organic frameworks (COFs), and metal-organic frameworks (MOFs).Table of Contents1: Structural Chemistry of Hydrogen 2: Structural Chemistry of Alkali and Alkali-Earth Metals 3: Structural Chemistry of Group 13 Elements 4: Structural Chemistry of Group 14 Elements 5: Structural Chemistry of Group 15 Elements 6: Structural Chemistry of Group 16 Elements 7: Structural Chemistry of Group 17 and Group 18 Elements 8: Structural Chemistry of Rare-Earth and Actinide Elements 9: Metal-Metal Bonds and Transition-Metal Clusters 10: Supramolecular Structural Chemistry

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Book SynopsisAn eminently readable book on the symmetry of crystals and molecules, starting from first principles.Trade ReviewThe content is comprehensive, covering symmetry operations, stereographic projection, application to X-ray diffraction, group theory, as well as spectroscopy ... the book shines with instructional discussions of several problem sets ... I find reason to recommend the book ... I am glad to see it on my bookshelf * Angewandte Chemie International Edition, *This book successfully combines a thorough treatment of molecular and crystalline symmetry with a simple and informal writing style. By means of familiar examples the author helps to provide the reader with those conceptual tools necessary for the development of a clear understanding of what are often regarded as 'difficult' topics. * Christopher Hammond, University of Leeds *This book should tell you everything you need to know about crystal and molecular symmetry. Ladd adopts an integrated approach so that the relationships between crystal symmetry, molecular symmetry and features of chemical interest are maintained and reinforced. The theoretical aspects of bonding and symmetry are also well represented, as are symmetry-dependent physical properties and the applications of group theory. The comprehensive coverage will make this book a valuable resource for a broad range of readers. * Alexander Blake, School of Chemistry, University of Nottingham *I marvel at the comprehensive detail and rigour ... I see this book becoming essential reading, if not prescribed for intensive study. * Jan Boeyens, University of Pretoria *The book really shines, with clear and precise definitions given for point groups, lattices and space groups - ideal reading for any budding crystallographer who wonders what all those columns in the International tables for crystallography are for. * Chemistry World *Table of Contents1. Symmetry everywhere ; 2. Geometry of crystals and molecules ; 3. Point group symmetry ; 4. Lattices ; 5. Space groups ; 6. Symmetry and x-ray diffraction ; 7. Elements of group theory ; 8. Applications of group theory ; 9. Computer-assisted studies ; Appendices

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Book SynopsisHyper-Structured Molecules are topologically well-defined molecules in two or three dimensions, expected to show novel quantum effects in the molecular sequences. This book covers molecular designs of dendrimers, oligomers, hyperbranched polymers and/or high spin systems, molecular organizations and nanostructures, mesoscopic pattern formation, and scanning probe microscopy for characterization and molecular handling, aims at the fundamental understandings of how to design and synthesize and the future applications toward molecular electronics, photonics and spinics such as quantum effect devices. Hyper-structured Molecules III presents the frontier of novel molecules and techniques for handling them, and should be of interest to all researchers working in supramolecular chemistry or molecular electronics.Table of ContentsNear Field Optical Technologies: From Imaging/Diagnostics to Nano-Fabrication/Atom Manipulation. Hybridization of Scanning Near-Field Optical Microscope with Scanning Tunneling Microscope, Organic Spin Clusters, Fractals and Networks with Very-High-Spin. Single Molecule Magnets, from NLO-Active Alkynylmetal Complexes to Organometallic Dendrimers. A Synthetic Approach to Rigid and Dendritic Nano-sized Ruthenium Complexes. Worm-like Dendrimers with Flexible Carbosilane Branches. Electrochemical Construction of Ordered Polyphyrin Polymers toward Nano-Molecular Spin Systems. Chromogenic Receptors as Potentially Hyper-Structured Molecules. Design and Synthesis toward Star-burst C60-Based Conducting Polyanilines. Exotic Condensed States of Matter: Discotic Mesogen and Optically Isotropic Liquid Crystals. Phototriggered Reactions of DNA and Their Applications. Optimized Second-Harmonic Generation from Alternate-Layer Langmuir-Blodgett Films of a Transparent Dye and Poly (T-butyl Methacrylate).

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Book SynopsisThis series, Advances in Chemical Physics, provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.Trade Review"This book focuses on an interdisciplinary approach to pharmaceutical problems and does it well." (Journal of the American Chemical Society, March 25, 2009)Table of ContentsTHE SECOND LAW OF NONEQUILIBRIUM THERMODYNAMICS: HOW FAST TIME FLIES (Phil Attard). MULTIPARTICLE COLLISION DYNAMICS: SIMULATION OF COMPLEX SYSTEMS ON MESOSCALES (Raymond Kapral). TWO-PATHWAY EXCITATION AS A COHERENCE SPECTROSCOPY (Tamar Seideman and Robert J. Gordon). TIME-DEPENDENT TRANSITION STATE THEORY (Thomas Bartsch, Jeremy M. Moix, Rigoberto Hernandez, Shinnosuke Kawai, and T. Uzer). ELECTRONIC STRUCTURE REFERENCE CALCULATIONS FOR DESIGNING AND INTERPRETING P AND T VIOLATION EXPERIMENTS (Malaya K. Nayak and Rajat K. Chaudhuri). AUTHOR INDEX. SUBJECT INDEX.

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Book SynopsisThis series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.Trade Review"This volume continues the standard of excellent set by it predecessors. It is an essential item for any modern university or research institution library." (Journal of the American Chemical Society, September 24, 2008)Table of ContentsRecent Advances in the Field of Integral Equation Theories: Bridge Functions and Applications to Classical Fluids (Jean-Marc Bomont). The Chemical Environment of Ionic Liquids: Links Between Liquid Structure, Dynamics, and Solvation (Mark N. Kobrak) Counterion Condensation in Nucleic Acid (Alex Spasic and Udayan Mohanty). Physiochemical Applications of Scanning Electrochemical Microscopy (Francois O. Laforge, Peng Sun, and Michael V. Mirkin). The vx-H Line Shapes of Centrosymmetric Cyclic Dimers Involving Weak Hydrogen Bonds (Oliver Henri-Rousseau and Pal Blaise). Time-Resolved Photoelectron Spectroscopy of Nonadiabatic Dynamics in Polyatomic Molecules (Albert Stolow and Jonathan G. Underwood). Author Index. Subject Index.

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Book SynopsisThe Advances in Chemical Physics series presents the cutting edge in every area of the discipline and provides the field with a forum for critical, authoritative evaluations of advances.Table of ContentsHYDROGEN BOND DYNAMICS IN ALCOHOL CLUSTERS.(Martin A. Suhm). VIBRATIONAL LINE SHAPES, SPECTRAL DIFFUSION, AND HYDROGEN BONDING IN LIQUID WATER (James L. Skinner, Benjamin M. Auer, and Yu-Shan Lin). COMPUTATIONAL MODELS OF METABOLISM: STABILITY AND REGULATION IN METABOLIC NETWORKS (Ralf Steuer and Björn H. Junker). AUTHOR INDEX. SUBJECT INDEX.

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Book SynopsisThe Advances in Chemical Physics series presents the cutting edge in every area of the discipline and provides the field with a forum for critical, authoritative evaluations of advances. It provides an editorial framework that makes each volume an excellent supplement to advanced graduate classes, with contributions from experts around the world and a handy glossary for easy reference on new terminology. This series is a wonderful guide for students and professionals in chemical physics and physical chemistry, from academia, government, and industries including chemicals, pharmaceuticals, and polymers.Table of ContentsNONBONDED INTERACTIONS IN RUBBER ELASTICITY (Aaron Weiner and Jerome Weiner). MULTIPLE AMORPHOUS?AMORPHOUS TRANSITIONS (Thomas Loerting, Vadim V. Brazhkin, and Tetsuya Morishita). HYDRATION DYNAMICS AND COUPLED WATER?PROTEIN FLUCTUATIONS PROBED BY INTRINSIC TRYPTOPHAN (Dongping Zhong). AUTHOR INDEX. SUBJECT INDEX.

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Book SynopsisThis series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Volume 145 in the series continues to report recent advances with significant, up-to-date chapters by internationally recognized researchers.Table of ContentsPreface xi Non-Markovian Theory of Vibrational Energy Relaxation and its Applications to Biomolecular Systems 1 By Hiroshi Fujisaki, Yong Zhang, and John E. Straub Protein Functional Motions: Basic Concepts and Computational Methodologies 35 By Sotaro Fuchigami, Hiroshi Fujisaki, Yasuhiro Matsunaga, and Akinori Kidera Non-Brownian Phase Space Dynamics of Molecules, the Nature of Their Vibrational States, and Non-RRKM Kinetics 83 By David M. Leitner, Yasuhiro Matsunaga, Chun-Biu Li, Tamiki Komatsuzaki, Akira Shojiguchi, and Mikito Toda Dynamical Reaction Theory Based on Geometric Structures in Phase Space 123 By Shinnosuke Kawai, Hiroshi Teramoto, Chun-Biu Li, Tamiki Komatsuzaki, and Mikito Toda Ergodic Problems for Real Complex Systems in Chemical Physics 171 By Tamiki Komatsuzaki, Akinori Baba, Shinnosuke Kawai, Mikito Toda, John E. Straub, and R. Stephen Berry Author Index 221 Subject Index 247

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.Table of ContentsApplications of Doppler Spectroscopy to Photofragmentation (R. Gordon & G. Hall). Vibrational Predissociation Dynamics of Van Der Waals Complexes: Product Rotational State Distributions (M. Lester). Electron Scattering by Small Molecules (C. Winstead & V. McKoy). Time-Dependent Semiclassical Mechanics (M. Seulveda & F. Grossman). Indexes.

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.Table of ContentsIntegral Equation Theories of the Structure, Thermodynamics, andPhase Transitions of Polymer Fluids (K. Schweizer & J.Curro). Dielectric Properties of Liquid Crystals Under High Pressure (S.Urban & A. Wurflinger). Electric Polarization of Polar Time-Dependent-Rigid Materials (S.Havriliak & S. Havriliak). Magnetic Relaxation in Fine- Particle Systems (J. Dormann, etal.). Complex Systems: Equilibrium Configurations of N Equal Charges on aSphere (2 Indexes.

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Book SynopsisThe aim of this series is to help the reader obtain general information about a wide variety of topics in the broad field of chemical physics. Experts present analyses of subjects of interest to stimulate new research and encourage the expression of individual points of view.Table of ContentsInhomogeneous Rf Fields: A Versatile Tool for The Study Of Processes with Slow Ions 1 By Dieter Gerlich Multiphoton Ionization State Selection: Vibrational-Mode And Rotational-State Control 177 By Scott L. Anderson Control of Transition-Metal Cation Reactivity by Electronic State Selection 213 By James C. Weisshaar State-Selected Charge Transfer and Chemical Reactions By The Tesico Technique 263 By Inosuke Koyano and Kenichiro Tanaka Multicoincidence Detection in Beam Studies of Ion–Molecule Reactions: Technique and Application to X1 + H2 Reactions 309 By Jean-Claude Brenot and Marie Durup-Ferguson State-Selected and State-To-State Ion–Molecule Reaction Dynamics by Photoionization and Differential Reactivity Methods 401 By Cheuk-Yiu Ng Crossed-Molecular Beam Studies of State-To-State Reaction Dynamics 501 By Jean H. Futrell Proton Energy Loss Spectroscopy as A State-To-State Probe Of Molecular Dynamics 553 By Gereon Neidner-Schatteburg and J. Peter Toennies Author Index 649 Subject Index 671

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.Table of ContentsTime-Resolved Optical Tests for Electronic Geometric Phase Development (J. Cina, et al.). On Global Energy Conservation in Nonlinear Light-Matter Interaction: The Nonlinear Spectroscopies, Active and Passive (D. Lee & A. Albrecht). A Many-Body Stochastic Approach to Rotational Motions in Liquids (A. Polimeno & J. Freed). Some Structural-Electronic Aspects of High Temperature Superconductors (J. Burdett). On the Theory of Debye and Neel Relaxation of Single Domain Ferromagnetic Particles (W. Coffey, et al.). The Algebra of Effective Hamiltonians and Operators: Exact Operators (V. Hurtubise & K. Freed). Melting and Liquid Structure in Two Dimensions (M. Glaser & N. Clark). Indexes.

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Book SynopsisThis is the only series of volumes available that represents the cutting edge of research relative to advances in chemical physics. Provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Continues to report recent advances with significant, up-to-date chapters. .Table of ContentsTHE INFLUENCE OF THE GEOMETRIC PHASE ON REACTION DYNAMICS (Stuart C. Althorpe, Juan Carlos Juanes-Marcos, and Eckart Wrede). OPTIMAL CONTROL THEORY FOR MANIPULATING MOLECULAR PROCESSES (Gabriel G. Balint-Kurti, Shiyang Zou, and Alex Brown). NONADIABATIC CHEMICAL DYNAMICS: COMPREHENSION AND CONTROL OF DYNAMICS, AND MANIFESTATION OF MOLECULAR FUNCTIONS (Hiroki Nakamura). EXPLORING MULTIPLE REACTION PATHS TO A SINGLE PRODUCT CHANNEL (David L. Osborn). PHOTOELECTRON CIRCULAR DICHROISM IN CHIRAL MOLECULES (Ivan Powis). SPECTROSCOPY OF THE POTENTIAL ENERGY SURFACES FOR C–H AND C–O BOND ACTIVATION BY TRANSITION METAL AND METAL OXIDE CATIONS (R. B. Metz). STABILIZATION OF DIFFERENT CONFORMERS OFWEAKLY BOUND COMPLEXES TO ACCESS VARYING EXCITED-STATE INTERMOLECULAR DYNAMICS (David S. Boucher and Richard A. Loomis). Author Index. Subject Index.

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Book SynopsisLow Energy Ion--Surface Interactions Edited by J. Wayne Rabalais, University of Houston, Texas, USA Recent advances in experimental techniques and theoretical methodologies mean that increasingly detailed and sophisticated studies of state--or energy--selected molecular ions can now be performed. Each volume in this series will be dedicated to reviewing a specific topic, emphasizing new experimental and theoretical developments in the study of ions. This volume details the current understanding of Low Energy Ion--Surface Interactions, along with some of the novel applications. Each of the ten chapters is authored by active researchers in the field who are at the forefront of research in their particular areas. This up-to-date compilation, detailing developments occurring within the last five years, will be particularly useful to researchers and teachers involved with Low Energy Ion--Surface Interactions.Table of ContentsPartial table of contents: Quantitative Intensity Analysis of Low-Energy Scattering andRecoiling from Crystal Surfaces (R. Williams). Ion Scattering and Recoiling for Elemental Analysis and StructureDetermination (P. Bertrand & J. Rabalais). Theoretical Description of Charge Transfer in Atom-SurfaceCollisions (H. Shao, et al.). Electron Emission from Slow Ion-Solid Interactions (R.Baragiola). Scattering and Charge-Transfer Dynamics in Low- andHyperthermal-Energy Alkali-Ion-Surface Collisions (B. Cooper &E. Behringer). The Interaction of Molecular Ions with Surfaces (W. Heiland). Sputtering of Metals and Insulators with Hyperthermal Singly andDoubly Charged Rare-Gas Ions (P. Varga & U. Diebold). Film Deposition from Low-Energy Ion Beams (D. Marton). Indexes.

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Book SynopsisThis accessible and self-contained guide provides a comprehensive introduction to the popular programming language, Python, with a focus on applications in chemistry and chemical physics. End of chapter problems are included throughout, with worked solutions available, and additional resources are provided on a companion website.Trade Review'This book is a very useful addition to the library of python books, and is squarely directed at chemists, covering all the main aspects of python that they will find useful, without getting bogged down in programming detail. The clear focus on chemistry examples from the start means that students will be able to quickly perform useful, Python-based tasks without having to invest time in learning abstract syntax. Python for chemists will be a valuable resource for chemists who wish to add an element of programming to their skills base.' John McGrady, University of Oxford'I used the author's previous book, 'Learning Scientific Programming with Python' as the textbook for my course for senior undergraduate and beginning graduate students in chemistry. This new book is targeted specifically towards chemistry and includes many new and useful examples and applications. The least squares optimization examples are particularly well-suited to advanced physical chemistry spectroscopy experiments and I like the way the individual topics are split into manageable bite-sized chapters. Overall, this will be a very useful book as a reference for researchers and instructors, advanced undergraduates and graduate students who need to learn modern numerical computation, data analysis, and graphical presentation techniques.' Trevor Sears, Stony Brook University'The ability to write code is becoming an essential skill for chemistry students. Python is widely used in chemistry research and is increasingly taught in undergraduate courses, but it has lacked a comprehensive textbook tailored to chemistry students. Python for Chemists addresses this need by providing detailed coverage of the basics of the Python language and presenting a range of practical examples across the standard chemistry syllabus. This book will be useful for undergraduate and graduate students interested in learning and using Python in their studies and research and for instructors looking to teach Python in a chemistry context.' Benjamin J. Morgan, University of BathTable of Contents1. Introduction; 2. Basic Python usage; 3. Strings; 4. Lists and loops; 5. Comparisons and flow control; 6. Functions; 7. Data structures; 8. File input/output; 9. Basic numpy; 10. Graph plotting with Matplotlib; 11. The steady-state approximation; 12. Liquid-vapour equilibrium; 13. Jupyter notebook; 14. LaTeX; 15. Chemistry databases and file formats; 16. More NumPy and Matplotlib; 17. Thermodynamic cycles; 18. Vectors, matrices and linear algebra; 19. Linear least squares fitting I; 20. Linear least squares fitting II; 21. Numerical integration; 22. Optimization with scipy.optimize; 23. Vibrational spectroscopy; 24. The morse oscillator; 25. Solving ordinary differential equations; 26. The oregonator; 27. Root-finding with scipy.optimize; 28. Rotational spectroscopy; 29. Peak finding; 30. Fitting the vibrational spectrum of CO; 31. pandas; 32. Simulating a powder diffraction spectrum; 33. The Hückel approximation; 34. Nonlinear fitting and constrained optimization; 35. SymPy; 36. Molecular orbital theory for H2+; 37. Approximations of the helium atom electronic energy; 38. Computational chemistry with Psi4 and Python; 39. Atomic structure; 40. Solutions.

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Book Synopsis2D Metals: Fundamentals, Emerging Applications, and Challenges delves into the state-of-the-art advancements in utilizing 2D metals for emerging applications, encompassing a comprehensive overview of synthetic methodologies and characterization techniques provided by leading experts in the field.2D nanomaterials have emerged as highly promising candidates for a diverse array of cutting-edge applications, spanning energy and biomedicine, owing to their adjustable electrochemical properties, versatility, and exceptional mechanical resilience. Notably, carbon-based 2D materials have already demonstrated extensive utility across various domains. Meanwhile, 2D metals, often referred to as Metallenes, represent a burgeoning class of materials with broad reaching potential. In contrast to alternative 2D materials like graphene and transition metal chalcogenides, as well as bulk metals, 2D metals exhibit remarkable conductivity, expansive surface area, and customizabl

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.Table of ContentsHydrogen-Bond Topology and Proton Ordering in Ice and Water Clusters 1 By Sherwin J. Singer and Chris Knight Molecular Inner-Shell Spectroscopy. Arpis Technique and its Applications 75 By Eiji Shigemasa and Nobuhiro Kosugi Geometric Optimal Control of Simple Quantum Systems 127 By Dominique Sugny Density Matrix Equation for a Bathed Small System and its Application to Molecular Magnets 213 By D. A. Garanin A Fractional Langevin Equation Approach to Diffusion Magnetic Resonance Imaging 279 By Jennie Cooke Author Index 379 Subject Index 399

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.Table of ContentsControl of Quantum Phenomena 1 By Constantin Brif, Raj Chakrabarti, and Herschel Rabitz Crowded Charges in Ion Channels 77 By Bob Eisenberg Colloidal Crystallization Between Two and Three Dimensions 225 By H. Lowen, E. C. Oguz, L. Assoud, and R. Messina Statistical Mechanics of Liquids and Fluids in Curved Space 251 By Gilles Tarjus, Fran¸cois Sausset, and Pascal Viot Author Index 311 Subject Index 359

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Book SynopsisThe Advances in Chemical Physics seriesthe cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Kinetics and thermodynamics of fluctuation-induced transitions in multistable systems (G. Nicolis and C. Nicolis) Dynamical rare event simulation techniques for equilibrium and nonequilibrium systems (Titus S. van Erp) Confocal depolarized dynamic light scattering (M. PoTable of Contents Kinetics and Thermodynamics of Fluctuation-Induced Transitions in Multistable Systems 1 By Gregoire Nicolis and Catherine Nicolis Dynamical Rare Event Simulation Techniques for Equilibrium and Nonequilibrium Systems 27 By Titus S. Van Erp Confocal Depolarized Dynamic Light Scattering 61 By M. Potenza, T. Sanvito, V. Degiorgio, and M. Giglio The Two-Step Mechanism and The Solution-Crystal Spinodal for Nucleation of Crystals in Solution 79 By Peter G. Vekilov Experimental Studies of Two-Step Nucleation During Two-Dimensional Crystallization of Colloidal Particles with Short-Range Attraction 111 By John R. Savage, Liquan Pei, and Anthony D. Dinsmore On the Role of Metastable Intermediate States in the Homogeneous Nucleation of Solids from Solution 137 By James F. Lutsko Effects of Protein Size on the High-Concentration/Low-Concentration Phase Transition 173 By Patrick Grosfils Geometric Constraints in the Self-Assembly of Mineral Dendrites and Platelets 193 By John J. Kozak What can Mesoscopic Level IN SITU Observations Teach us About Kinetics and Thermodynamics of Protein Crystallization? 223 By Mike Sleutel, Dominique Maes, and Alexander Van Driessche The Ability of Silica to Induce Biomimetic Crystallization of Calcium Carbonate 277 By Matthias Kellermeier, Emilio Melero-García, Werner Kunz, and Juan Manuel García-Ruiz Author Index 309 Subject Index 325

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.Table of ContentsMultidimensional Incoherent Time-Resolved Spectroscopy and Complex Kinetics 1 By Mark A. Berg Complex Multiconfigurational Self-Consistent Field-Based Methods to Investigate Electron-Atom/Molecule Scattering Resonances 103 By Kousik Samanta and Danny L. Yeager Determination of Molecular Orientational Correlations in Disordered Systems from Diffraction Data 143 By Szilvia Pothoczki, László Temleitner, and László Pusztai Recent Advances in Studying Mechanical Properties of DNA 169 By Reza Vafabakhsh, Kyung Suk Lee, and Taekjip Ha Viscoelastic Subdiffusion: Generalized Langevin Equation Approach 187 By Igor Goychuk Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics 255 By Xiongwu Wu, Ana Damjanovic, and Bernard R. Brooks Author Index 327 Subject Index 345

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Book SynopsisIncludes detailed reviews of topics in chemical physics. This title is dedicated to reviewing topics as well as the developments in traditional areas of study in the field of chemical physics. It is suitable for introducing novices to topics in chemical physics.Table of ContentsRecent Advances in Ultrafast X-ray Absorption Spectroscopy 1of SolutionsBy Thomas J. Penfold, Christopher J. Milne, and Majed Chergui Scaling Perspective on Intramolecular Vibrational Energy 43Flow: Analogies, Insights, and ChallengesBy Srihari Keshavamurthy Longest Relaxation Time of Relaxation Processes for Classical 111and Quantum Brownian Motion in a Potential: Escape Rate Theory ApproachBy William T. Coffey, Yuri P. Kalmykov, Serguey V. Titov, and William J. Dowling Local Fluctuations in Solution: Theory and Applications 311By Elizabeth A. Ploetz and Paul E. Smith The Macroscopic Effects of Microscopic Heterogeneity in 373Cell SignalingBy Andrew Mugler and Pieter Rein ten Wolde Ab Initio Methodology for Pseudospin Hamiltonians of 397Anisotropic Magnetic ComplexesBy L. F. Chibotaru Author Index 521 Subject Index 551

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.Table of ContentsContributors List ix Preface to the Series xi Thermodynamic Perturbation Theory for Associating Molecules 1 Bennett D. Marshall and Walter G. Chapman Path Integrals and Effective Potentials in the Study of Monatomic Fluids at Equilibrium 49 Luis M. Sesé Spontaneous Symmetry Breaking in Matter Induced by Degeneracies and Pseudodegeneracies 159 Isaac B. Bersuker Mean Field Electrostatics Beyond the Point Charge Description 209 Derek Frydel First‐Passage Processes in Cellular Biology 261 Srividya Iyer‐Biswas and Anton Zilman Theoretical Modeling of Vibrational Spectra and Proton Tunneling in Hydrogen‐Bonded Systems 307 Marek Janusz Wójcik Index 343

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Book SynopsisThe Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This is the only series of volumes available that presents the cutting edge of research in chemical physics.Table of ContentsContributors to Volume 161 ix Preface to the Series xi Structural Analysis by X-ray Intensity Angular Cross Correlations 1Ruslan P. Kurta, Massimo Altarelli, and Ivan A. Vartanyants Spin Relaxation in Phase Space 41Yuri P. Kalmykov, William T. Coffey, and Serguey V. Titov Diffusion in Crowded Solutions 277George D. J. Phillies Distribution Function Approach to the Stability of Fluid Phases 359John J. Kozak, Jaroslaw Piasecki, and Piotr Szymczak Coarse-Graining with the Relative Entropy 395M. Scott Shell Entropy Theory of Polymer Glass-Formation in Variable Spatial Dimension 443Wen-Sheng Xu, Jack F. Douglas, and Karl F. Freed Polyelectrolyte Complexation 499Samanvaya Srivastava and Matthew V. Tirrell Index 545

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Book SynopsisThis text deals with the advantages of rare earth activated phosphors for the development of solid state lighting technology and in enhancing the light conversion efficiency of Si solar cells. The book initiates with a short overview of the atomic and semiconductor theory followed by introduction to phosphor, its working mechanism, role of rare earth ions in the lighting and PV devices and host materials being used. Further, it introduces the applications of inorganic phosphor for the development of green energy and technology including advantages of UP/DC conversion phosphor layers in the enhancing the cell response of PV devices.Key Features: Focuses on discussion of phosphors for both solid state lighting and photovoltaics applications Provides introduction for practical applications including synthesis and characterization of phosphor materials Includes broad, in-depth introduction of semiconductors and related theoTable of ContentsPart 1: Fundamentals of Atoms and Semiconductor. 1. Short Review on Atomic and Semiconductor Theory. Part 2: Phosphor- An Overview. 2. Introduction to “Phosphors, Rare Earths, Properties and Applications. 3. Synthesis & Characterization of Phosphor. Part 3: Scope of Phosphor. 4. Phosphor for Light Emitting Diode. 5. Phosphor for PV Technology. Part 4: Efficient and Eco-Friendly Technology. 6. Cell Response and Other Solar Cell Materials. 7. Phosphor for Environment Friendly Technology.

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Book SynopsisThis book provides a detailed description of the modern variational methods available for solving the nuclear motion Schrödinger equation to enable accurate theoretical spectroscopy of polyatomic molecules. These methods are currently used to provide important molecular data for spectroscopic studies of atmospheres of astronomical objects including solar and extrasolar planets as well as cool stars. This book has collected descriptions of quantum mechanical methods into one cohesive text, making the information more accessible to the scientific community, especially for young researchers, who would like to devote their scientific career to the field of computational molecular physics. The book addresses key aspects of the high-accuracy computational spectroscopy of the medium size polyatomic molecules. It aims to describe numerical algorithms for the construction and solution of the nuclear motion Schrödinger equations with the central idea of the modern computational Table of Contents1. Introduction. 2. Coordinates Choice. 3. KEO: Coordinate Transformation. 4. KEO: Triatomic Molecules. 5. Basis Sets. 6. Symmetry-adapted Basis Sets. 7. Applications. Bibliography. Index.

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Book SynopsisSince their development in the 1990s, it has been discovered that diluted nitrides have intriguing properties that are not only distinct from those of conventional semiconductor materials, but also are conducive to various applications in optoelectronics and photonics. The book examines these applications and presents a broad and in-depth look at the basic electronic and optical properties of diluted nitrides.The aim of Physics and Applications of Diluted Nitrides is to provide graduate students, researchers and engineers with a comprehensive overview of the present knowledge and future perspectives of diluted nitrides.Co-authored by a group of leading scientists in the field, this book brings the reader up to speed on the development and current state of diluted nitride applications, as well as the technologies to be developed in the near future.Table of ContentsPhysics and Applications of Dilute Nitrides

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Book SynopsisThis book presents recent research in chemical and biochemical physics. Chemical physics addresses a large range of problems. An effective chemical physicist is a "jack-of-all-trades", able to apply the principles and techniques of the field to everything from high-tech materials to biology. Just as the fields of chemistry and physics have expanded, so have chemical physics subject areas, which include polymers, materials, surfaces/interfaces, and biological macromolecules, along with the traditional small molecule and condensed phase systems. Biochemical physics is a science that joins the three natural sciences (biology, chemistry and physics) into one comprehensive study. N.M. Emanuel pioneered this science over fifty years ago. This book brings together papers written by Emanuel''s students, which reveal recent developments in this interesting field.

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Book SynopsisThis new volume presents leading-edge research in the rapidly changing and evolving field of chemical materials characterization and modification. The topics in the book reflect the diversity of research advances in physical chemistry and electrochemistry, focusing on the preparation, characterization, and applications of polymers and high-density materials. Also covered are various manufacturing techniques. Focusing on the most technologically important materials being utilized and developed by scientists and engineers, the book will help to fill the gap between theory and practice in industry.This comprehensive anthology covers many of the major themes of physical chemistry and electrochemistry, addressing many of the major issues, from concept to technology to implementation. It is an important reference publication that provides new research and updates on a variety of physical chemistry and electrochemistry uses through case studies and supporting technologies, and it also explains the conceptual thinking behind current uses and potential uses not yet implemented. International experts with countless years of experience lend this volume credibility.Table of ContentsPreface. Section 1: Characterization of the Electrolyte Solutions. Isothermal Diffusion Coefficients of Electrolytes in Aqueous Solutions. Mean Distance of Closest Approach of Ions: From Theory to Experiments. Mean Distance of Closest Approach of Ions: Unpublished Data for Some Acids in Aqueous Solutions. Section 2: Chemical Physics and Techniques. Structure Transformation of 5,7-Di-Tert-Butylspiro(2,5)Octa-4,7-Diene-6-One in a Solid Phase at Ambient Temperature. The Role of Supramolecular Nanostructures Formation in the Mechanisms of Homogenous and Enzymatic Catalysis with Nickel or Iron Complexes. The Active Transport of Ions of Some Rare-Earth Metals with Aminophosphoryl Membrane Carrying Agents. Influence of Polyhydroxybutyrate on Properties of Composition Films on the Basis Hydrophobic and Hydrophilic Polymers. Polynuclear Chelates with Tunable Aromaticity of Macrocyclic Equatorial Ligand. Adsorbtion and Absorbtion Effects Influence in the Electrolytes Aqueous Solution. Separation of Micro Particles on Perforated High-Gradient Ferromagnetic Membrane Unit. Liquid Extraction of Metals Ions with Lipophilic Phosphorylated Natural Amino Acids. Propylene/1-Butene and Propylene/1-Pentene Copolymers. Role of Databases in Biological Data Analysis. New Medical Materials for Urology. Hydrosilylation on Hydrophobic Material-Supported Platinum Catalysts. Green Synthesis of Silver Sols Into Polyelectrolyte Matrices Using Ascorbic Acid as Reductant. The Influence of Structure Molecular Level on Properties for Blends Poly(Ethylene Terephthalate)/Poly(Butylene Terephthalate). The Deformability of Blends Polycarbonate/Poly(Ethylene Terephthalate). Index.

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Book SynopsisOver the past few decades, experimental excited state chemistry has moved into the femtochemistry era, where time resolution is short enough to resolve nuclear dynamics. Recently, the time resolution has moved into the attosecond domain, where electronic motion can be resolved as well. Theoretical chemistry is becoming an essential partner in such experimental investigations; not only for the interpretation of the results, but also to suggest new experiments. This book provides an integrated approach. The three main facets of excited-state theoretical chemistry; namely, mechanism, which focuses on the shape of the potential surface along the reaction path, multi-state electronic structure methods, and non-adiabatic dynamics, have been brought together into one volume. Theoretical Chemistry for Electronic Excited States is aimed at both theorists and experimentalists, involved in theoretical chemistry, in electronic structure computations and in molecular dynamics. The book will provide both with the knowledge and understanding to discover ways to work together more closely through its unified approach.Table of ContentsIntroduction and Motivation; Conceptual Development Centred on the Shapes and Topological Features of Potential Surfaces; Electronic Structure Methods for the Computation of Electronic States; The Dynamics of Nuclear Motion; Applications and Case Studies in Nonadiabatic Chemistry; Conclusion and Future Developments

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Book SynopsisThe aim of this book is to relate fluid flows to chemical reactions. It focuses on the establishment of consistent systems of equations with their boundary conditions and interfaces, which allow us to model and deal with complex situations.Chapter 1 is devoted to simple fluids, i.e. to a single chemical constituent. The basic principles of incompressible and compressible fluid mechanics, are presented in the most concise and educational manner possible, for perfect or dissipative fluids. Chapter 2 relates to the flows of fluid mixtures in the presence of chemical reactions. Chapter 3 is concerned with interfaces and lines. Interfaces have been the subject of numerous publications and books for nearly half a century. Lines and curvilinear media are less known Several appendices on mathematical notation, thermodynamics and mechanics methods are grouped together in Chapter 4.This summary presentation of the basic equations of simple fluids, with exercises and their solutions, as well as those of chemically reacting flows, and interfaces and lines will be very useful for graduate students, engineers, teachers and scientific researchers in many domains of science and industry who wish to investigate problems of reactive flows. Portions of the text may be used in courses or seminars on fluid mechanics.Table of ContentsPreface xiii List of the Main Symbols xv Chapter 1. Simple Fluids 1 1.1. Introduction 1 1.2. Key elements in deformation theory – Lagrangian coordinates and Eulerian coordinates 2 1.2.1. Strain rates 2 1.2.2. Lagrangian coordinates and Eulerian coordinates 7 1.2.3. Trajectories, stream lines, emission lines 8 1.3. Key elements in thermodynamics Reversibility, irreversible processes: viscosity, heat conduction 9 1.3.1. Thermodynamic variables, definition of a system, exchanges, differential manifold of equilibrium states, transformation 9 1.3.2. Laws of thermodynamics 11 1.3.3. Properties of simple fluids at equilibrium. 14 1.4. Balance equations in fluid mechanics. Application to incompressible and compressible perfect fluids and viscous fluids 18 1.4.1. Mass balance 18 1.4.2. Concept of a particle in a continuous medium: local state 19 1.4.3. Balance for the property F 20 1.4.4. Application to volume, to momentum and to energy 22 1.4.5. Entropy balance and the expression of the rate of production of entropy 23 1.4.6. Balance laws for discontinuity 25 1.4.7. Application to incompressible perfect fluids 26 1.4.8. Application to dissipative fluids 31 1.5. Examples of problems with 2D and 3D incompressible perfect fluids 32 1.5.1. Planar 2D irrotational flows: description in the complex plane of steady flows 32 1.5.2. 3D irrotational flows of incompressible perfect fluids: source, sink, doublet 36 1.5.3. Rotational flows of incompressible perfect fluids 41 1.6. Examples of problems with a compressible perfect fluid: shockwave, flow in a nozzle, and characteristics theory 44 1.6.1. General theorems 44 1.6.2. Propagation of sound in an ideal gas 44 1.6.3. Discontinuities 46 1.6.4. Unsteady characteristics 47 1.6.5. Steady normal shockwave: Hugoniot and Prandtl relations 48 1.6.6. Flow in a de Laval nozzle 49 1.6.7. Simple wave 53 1.7. Examples of problems with viscous fluids 56 1.7.1. General equations 56 1.7.2. Incompressible viscous fluid 57 1.7.3. Flow of a compressible dissipative fluid: structure of a shockwave 61 1.8. Exercises 64 1.8.1. Exercises in kinematics (section 1.2) 64 1.8.2. Exercises in thermodynamics (section 1.3). 67 1.8.3. Exercises for the balance equations in fluid mechanics (section 1.4) 68 1.8.4. Examples of problems with 2D and 3D incompressible perfect fluids (section 1.5) 70 1.8.5. Examples of problems with a compressible perfect fluid (section 1.6) 74 1.8.6. Examples of problems with viscous fluids (section 1.7) 77 1.9. Solutions to the exercises 79 1.9.1. Solutions to the exercises in kinematics. 79 1.9.2. Solutions to the Exercises in thermodynamics 83 1.9.3. Solutions to the exercises for the balance of equations in fluid mechanics 88 1.9.4. Solutions to the examples of problems with 2D and 3D incompressible perfect fluids 89 1.9.5. Solutions to the examples of problems with a compressible perfect fluid 93 1.9.6. Solutions to the examples of problems with viscous fluids 95 Chapter 2. Reactive Mixtures 101 2.1. Introduction 101 2.2. Equations of state 103 2.2.1. Definition of the variables of state of a mixture 103 2.2.2. Thermodynamic properties of mixtures 108 2.2.3. Reactive mixture 118 2.2.4. Other issues relating to the thermodynamics of mixtures 123 2.3. Balance equations of flows of reactive mixtures 124 2.3.1. Balance of mass of the species j and overall balance of mass 124 2.3.2. General balance equation of a property F. 127 2.3.3. Momentum balance 129 2.3.4. Energy balance 129 2.3.5. Balance relations in a discrete system. 132 2.3.6. Entropy balance in a continuum 137 2.3.7. Balance equations at discontinuities in continuous media 140 2.4. Phenomena of transfer and chemical kinetics 142 2.4.1. Introduction 142 2.4.2. Presentation of the transfer coefficients by linear TIP 143 2.4.3. Other presentations of the transfer coefficients 147 2.4.4. Elements of chemical kinetics 152 2.5. Couplings 155 2.5.1. Heat transfer and diffusion 155 2.5.2. Shvab-Zeldovich approximation 158 Chapter 3. Interfaces and Lines 163 3.1. Introduction 163 3.1.1. Interfaces 163 3.1.2. Lines 165 3.2. Interfacial phenomena 166 3.2.1. General aspects 166 3.2.2. General form of an interfacial balance law 168 3.2.3. Constitutive laws for interfaces whose variables directly satisfy the classical equations in thermostatics and in 2D-TIP 173 3.2.4. Constitutive laws for interfaces deduced from classical thermostatics and 3D-TIP. Stretched flame example 177 3.2.5. Interfaces manifesting resistance to folding 179 3.2.6. Numerical modeling 179 3.2.7. Interfaces and the second gradient theory. 182 3.2.8. Boundary conditions of the interfaces 185 3.2.9. Conclusion 185 3.3. Solid and fluid curvilinear media: pipes, fluid lines and filaments 186 3.3.1. General aspects 186 3.3.2. Establishing the balance equations in a curvilinear medium. 188 3.3.3. Simplified theories 209 3.3.4. Triple line and second gradient theory 216 3.3.5. Conclusion 220 3.4. Exercises 222 3.4.1. Exercises regarding solid curvilinear media 222 3.4.2. Exercises regarding fluid curvilinear media 222 3.5. Solutions to the exercises 223 3.5.1. Solutions to exercises regarding solid curvilinear media. 223 3.5.2. Solutions to the exercises regarding fluid curvilinear media 225 APPENDICES 229 Appendix 1. Tensors, Curvilinear Coordinates, Geometry and Kinematics of Interfaces and Lines 231 A1.1. Tensor notations 231 A1.1.1. Tensors and operations on tensors 231 A1.2. Orthogonal curvilinear coordinates. 234 A1.2.1. General aspects 234 A1.2.2. Curl of a vector field 236 A1.2.3. Divergence of a vector field 237 A1.2.4. Gradient of a scalar 238 A1.2.5. Laplacian of a scalar 238 A1.2.6. Differentiation in a curvilinear basis 238 A1.2.7. Divergence of a second order tensor 239 A1.2.8. Gradient of a vector 239 A1.2.9. Cylindrical coordinates and spherical coordinates 240 A1.3. Interfacial layers 242 A1.3.1. Prevailing directions of an interfacial medium 242 A1.3.2. Operators of projection for interfaces 244 A1.3.3. Surface gradients of a scalar field 245 A1.3.4. Curvature vector of a curve 245 A1.3.5. Normal and tangential divergences of a vector field 246 A1.3.6. Extension of surface per unit length 246 A1.3.7. Average normal curvature of a surface 247 A1.3.8. Breakdown of the divergence of a vector field 248 A1.3.9. Breakdown of the Laplacian of a scalar field 249 A1.3.10. Breakdown of the divergence of a second order tensor 249 A1.3.11. Projection operators with the intrinsic definition of a surface 252 A1.3.12. Comparison between the two descriptions 253 A1.4. Curvilinear zones 254 A1.4.1. Presentation 254 A1.4.2. Geometry of the orthogonal curvilinear coordinates 256 A1.4.3. Projection operators and their consequences 257 A1.5. Kinematics in orthogonal curvilinear coordinates 260 A1.5.1. Kinematics of interfacial layers 260 A1.5.2. Kinematics of curvilinear zones 266 A1.5.3. Description of the center line 269 Appendix 2. Additional Aspects of Thermostatics 277 A2.1. Laws of state for real fluids with a single constituent 277 A2.1.1. Diagram of state for a pure fluid 277 A2.1.2. Approximate method to determine the thermodynamic functions 278 A2.1.3. Van der Waals fluid 279 A2.1.4. Other laws for dense gases and liquids 279 A2.2. Mixtures of real fluids 280 A2.2.1. Mixture laws for a real mixture 280 A2.2.2. Expression of the free energy of a real mixture 281 Appendix 3. Tables for Calculating Flows of Ideal Gas ƒ× ƒ­1.4 283 A3.1. Calculating the parameters in continuous steady flow (section 1.6.6.2) 286 A3.2. Formulae for steady normal shockwaves 288 Appendix 4. Extended Irreversible Thermodynamics. 289 A4.1. Heat balance equations in a non-deformable medium in EIT 290 A4.2. Application to a 1D case of heat transfer 293 A4.3. Application to heat transfer with the evaporation of a droplet 296 A4.3.1. Reminders about evaporating droplets 296 A4.3.2. Evaporating droplet with EIT. 300 A4.4. Application to thermal shock 302 A4.4.1. Presentation of the problem and solution using CIT 302 A4.4.2. Thermal shock and EIT 303 A4.4.3. Application of the second order approximation into two examples of thermal shock 305 A4.5. Outline of EIT 307 A4.6. Applications and perspectives of EIT 310 Appendix 5. Rational Thermodynamics 313 A5.1. Introduction 313 A5.2. Fundamental hypotheses and axioms 314 A5.2.1. Basic hypotheses 314 A5.2.2. Basic axioms 316 A5.3. Constitutive laws 318 A5.4. Case of the reactive mixture 320 A5.4.1. Principle of material frame indifference 320 A5.4.2. Constitutive laws for a reactive mixture 321 A5.5. Critical remarks 324 Appendix 6. Torsors and Distributors in Solid Mechanics 325 A6.1. Introduction 325 A6.1.1. Torsor 325 A6.1.2. Distributor 325 A6.1.3. Power 326 A6.2. Derivatives of torsors and distributors which depend on a single position parameter 326 A6.2.1. Derivative of the velocity distributor 327 A6.2.2. Derivative of the tensor of forces 328 A6.3. Derivatives of torsors and distributors dependent on two positional parameters 328 A6.3.1. Expression of the velocity distributor 329 A6.3.2. Derivative of the velocity distributor 329 Appendix 7. Virtual Powers in a Medium with a Single Constituent 331 A7.1. Introduction 331 A7.2. Virtual powers of a system of n material points 332 A7.3. Virtual power law 333 A7.4. The rigid body and systems of rigid bodies 333 A7.4.1. The rigid body 333 A7.4.2. System of rigid bodies, concept of a link 334 A7.5. 3D deformable continuous medium 335 A7.5.1. First gradient theory 335 A7.5.2. A 3D case of perfect internal linkage: the incompressible perfect fluid 337 A7.5.3. Second gradient theory 337 A7.6. 1D continuous deformable medium 338 A7.6.1. First gradient theory 338 A7.6.2. A 1D case of perfect internal linkage: perfectly flexible and inextensible wires 340 A7.7. 2D deformable continuous medium 340 Bibliography 343 Index 355

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Book SynopsisOver the past few decades, the excitation and ionization of atmospheric gases has become an area of intense research. A large amount of data have been accumulated concerning the various elementary processes which occur when photons, electrons and ions collide with atoms and molecules. This scattered information has now been collected in a handbook for the first time, and the authors give a critical analysis of relevant data. This book is a comprehensive and detailed study of the available information and is distinguished by the following outstanding features: the consideration of a large number of atmospheric constituents, including H^O2, H, N^O2, N, O^O2, O, CO, CO^O2, H^O2O, HCl and some hydrocarbons the maximum number of space particles, including magnetospheric particles, are considered as projectiles: photons, electrons, hydrogen atoms, protons and helium ionsthe energy range under study corresponds to the real spectrum of cosmic fluxes, from threshold values for elementary processes up to several thousand keV the recommended values of cross sections, obtained from analysis of the available experimental data, are given in the handbook and their accuracy is estimated. These features make the handbook particularly valuable to specialists in the aeronomy of planets, comets and active perturbations, as well as to experimentalists and theoreticians working in the fields of plasma physics, atomic and molecular physics, physics of the upper atmosphere, chemical physics, optics and spectroscopy.Table of Contents1. Cross Sections for Photoionization and Primary Photoelectron and Auger Electron Spectra 2. Production of Electrons and Slow Ions by Electron Impact 3. Cross Sections for UV-Emission in Collisions of H+ and He+ with Molecules and Atoms of Atmospheric Gases 4. Cross Sections for Ultraviolet Emission in Electron Collisions with Molecules and Atoms of Atmospheric Gases 5. Production of Electrons and Slow Ions in Collisions of H+, H0 and He+ with Atmospheric Molecules and Atoms

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