Kinetics of Chemical Reactions. Decoding Complexity

The 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.

A practical approach to chemical reaction kinetics—from basic concepts to laboratory methods—featuring numerous real-world examples and case studies This book focuses on fundamental aspects of reaction kinetics with an emphasis on mathematical methods for analyzing experimental data and interpreting results. It describes basic concepts of reaction kinetics, parameters for measuring the progress of chemical reactions, variables that affect reaction rates, and ideal reactor performance. Mathematical methods for determining reaction kinetic parameters are described in detail with the help of real-world examples and fully-worked step-by-step solutions. Both analytical and numerical solutions are exemplified. The book begins with an introduction to the basic concepts of stoichiometry, thermodynamics, and chemical kinetics. This is followed by chapters featuring in-depth discussions of reaction kinetics; methods for studying irreversible reactions with one, two and three components; reversible reactions; and complex reactions. In the concluding chapters the author addresses reaction mechanisms, enzymatic reactions, data reconciliation, parameters, and examples of industrial reaction kinetics. Throughout the book industrial case studies are presented with step-by-step solutions, and further problems are provided at the end of each chapter. Takes a practical approach to chemical reaction kinetics basic concepts and methods Features numerous illustrative case studies based on the author’s extensive experience in the industry Provides essential information for chemical and process engineers, catalysis researchers, and professionals involved in developing kinetic models Functions as a student textbook on the basic principles of chemical kinetics for homogeneous catalysis Describes mathematical methods to determine reaction kinetic parameters with the help of industrial case studies, examples, and step-by-step solutions Chemical Reaction Kinetics is a valuable working resource for academic researchers, scientists, engineers, and catalyst manufacturers interested in kinetic modeling, parameter estimation, catalyst evaluation, process development, reactor modeling, and process simulation. It is also an ideal textbook for undergraduate and graduate-level courses in chemical kinetics, homogeneous catalysis, chemical reaction engineering, and petrochemical engineering, biotechnology.

Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers' and authors' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bonds—the chemical reactions that are often the focus of an organic chemist's interest. Organic chemists with a serious interest in understanding and explaining their work usually express their ideas in molecular orbital terms, so much so that it is now an essential component of every organic chemist's skills to have some acquaintance with molecular orbital theory. Molecular Orbitals and Organic Chemical Reactions is both a simplified account of molecular orbital theory and a review of its applications in organic chemistry; it provides a basic introduction to the subject and a wealth of illustrative examples. In this book molecular orbital theory is presented in a much simplified, and entirely non-mathematical language, accessible to every organic chemist, whether student or research worker, whether mathematically competent or not. Topics covered include: Molecular Orbital Theory Molecular Orbitals and the Structures of Organic Molecules Chemical Reactions – How Far and How Fast Ionic Reactions – Reactivity Ionic Reactions – Stereochemistry Pericyclic Reactions Radical Reactions Photochemical Reactions Slides for lectures and presentations are available on the supplementary website: www.wiley.com/go/fleming_student Molecular Orbitals and Organic Chemical Reactions: Student Edition is an invaluable first textbook on this important subject for students of organic, physical organic and computational chemistry. The Reference Edition edition takes the content and the same non-mathematical approach of the Student Edition, and adds extensive extra subject coverage, detail and over 1500 references. The additional material adds a deeper understanding of the models used, and includes a broader range of applications and case studies. Providing a complete in-depth reference for a more advanced audience, this edition will find a place on the bookshelves of researchers and advanced students of organic, physical organic and computational chemistry. Further information can be viewed here. «These books are the result of years of work, which began as an attempt to write a second edition of my 1976 book Frontier Orbitals and Organic Chemical Reactions. I wanted to give a rather more thorough introduction to molecular orbitals, while maintaining my focus on the organic chemist who did not want a mathematical account, but still wanted to understand organic chemistry at a physical level. I'm delighted to win this prize, and hope a new generation of chemists will benefit from these books.» -Professor Ian Fleming

This book – a sequel of previous publications 'Flows and Chemical Reactions' and 'Chemical Reactions in Flows and Homogeneous Mixtures' – is devoted to flows with chemical reactions in heterogeneous environments. Heterogeneous media in this volume include interfaces and lines. They may be the site of radiation. Each type of flow is the subject of a chapter in this volume. We consider first, in Chapter 1, the question of the generation of environments biphasic individuals: dusty gas, mist, bubble flow. Chapter 2 is devoted to the study at the mesoscopic scale: particle-fluid exchange of momentum and heat with determination of the respective exchange coefficients. In Chapter 3, we establish simplified equations of macroscopic balance for mass, for the momentum and energy, in the case of particles of one size (monodisperse suspension). Radiative phenomena are presented in Chapter 5.

Flows with chemical reactions can occur in various fields such as combustion, process engineering, aeronautics, the atmospheric environment and aquatics. The examples of application chosen in this book mainly concern homogeneous reactive mixtures that can occur in propellers within the fields of process engineering and combustion: – propagation of sound and monodimensional flows in nozzles, which may include disequilibria of the internal modes of the energy of molecules; – ideal chemical reactors, stabilization of their steady operation points in the homogeneous case of a perfect mixture and classical instruments of experimental and theoretical analysis such as population balances, and the distribution of residence and passage times; – laminar and turbulent flames, separating those which are premixed from those which are not and which do not exhibit the same mechanisms, but which also occur in the case of triple flames. Flows and Chemical Reactions in Homogeneous Mixtures provides information on dimensional analysis, statistical thermodynamics with coupling between internal modes and chemical reactions, the apparition and damping of fluid turbulence as well as its statistical processing, bifurcations, flames in a confined medium and diffusion. Contents 1. Flows in Nozzles. 2. Chemical Reactors. 3. Laminar and Turbulent Flames. Appendix 1. Dimensionless Numbers, Similarity. Appendix 2. Thermodynamic Functions. Appendix 3. Concepts of Turbulence. Appendix 4. Thermodynamic functions for a mixture in disequilibrium. Appendix 5. Notion of bifurcation. Appendix 6. Confined flame. Appendix 7. Limits of Validity of the First-order Expansions for Diffusion Flames. About the Authors Roger Prud’homme has been Emeritus Research Director at CNRS, in France, since 2004. His most recent research topics have included flames (premixed flame modeling and their behavior in microgravity), two phase flows (droplet combustion with condensation of the products, sound propagation in suspensions, vortex, chock wave structure) and the modeling of fluid interfaces. He has published 5 books, 7 contributions to volumes and 50 publications in international journals.

Praise for the First Edition «…complete, up-to-date coverage of computational complexity theory…the book promises to become the standard reference on computational complexity.» -Zentralblatt MATH A thorough revision based on advances in the field of computational complexity and readers’ feedback, the Second Edition of Theory of Computational Complexity presents updates to the principles and applications essential to understanding modern computational complexity theory. The new edition continues to serve as a comprehensive resource on the use of software and computational approaches for solving algorithmic problems and the related difficulties that can be encountered. Maintaining extensive and detailed coverage, Theory of Computational Complexity, Second Edition, examines the theory and methods behind complexity theory, such as computational models, decision tree complexity, circuit complexity, and probabilistic complexity. The Second Edition also features recent developments on areas such as NP-completeness theory, as well as: A new combinatorial proof of the PCP theorem based on the notion of expander graphs, a research area in the field of computer science Additional exercises at varying levels of difficulty to further test comprehension of the presented material End-of-chapter literature reviews that summarize each topic and offer additional sources for further study Theory of Computational Complexity, Second Edition, is an excellent textbook for courses on computational theory and complexity at the graduate level. The book is also a useful reference for practitioners in the fields of computer science, engineering, and mathematics who utilize state-of-the-art software and computational methods to conduct research. A thorough revision based on advances in the field of computational complexity and readers’feedback, the Second Edition of Theory of Computational Complexity presents updates to theprinciples and applications essential to understanding modern computational complexitytheory. The new edition continues to serve as a comprehensive resource on the use of softwareand computational approaches for solving algorithmic problems and the related difficulties thatcan be encountered.Maintaining extensive and detailed coverage, Theory of Computational Complexity, SecondEdition, examines the theory and methods behind complexity theory, such as computationalmodels, decision tree complexity, circuit complexity, and probabilistic complexity. The SecondEdition also features recent dev

Winner of the PROSE Award for Chemistry & Physics 2010 Acknowledging the very best in professional and scholarly publishing, the annual PROSE Awards recognise publishers' and authors' commitment to pioneering works of research and for contributing to the conception, production, and design of landmark works in their fields. Judged by peer publishers, librarians, and medical professionals, Wiley are pleased to congratulate Professor Ian Fleming, winner of the PROSE Award in Chemistry and Physics for Molecular Orbitals and Organic Chemical Reactions. Molecular orbital theory is used by chemists to describe the arrangement of electrons in chemical structures. It is also a theory capable of giving some insight into the forces involved in the making and breaking of chemical bonds—the chemical reactions that are often the focus of an organic chemist's interest. Organic chemists with a serious interest in understanding and explaining their work usually express their ideas in molecular orbital terms, so much so that it is now an essential component of every organic chemist's skills to have some acquaintance with molecular orbital theory. Molecular Orbitals and Organic Chemical Reactions is both a simplified account of molecular orbital theory and a review of its applications in organic chemistry; it provides a basic introduction to the subject and a wealth of illustrative examples. In this book molecular orbital theory is presented in a much simplified, and entirely non-mathematical language, accessible to every organic chemist, whether student or research worker, whether mathematically competent or not. Topics covered include: Molecular Orbital Theory Molecular Orbitals and the Structures of Organic Molecules Chemical Reactions – How Far and How Fast Ionic Reactions – Reactivity Ionic Reactions – Stereochemistry Pericyclic Reactions Radical Reactions Photochemical Reactions This expanded Reference Edition of Molecular Orbitals and Organic Chemical Reactions takes the content and the same non-mathematical approach of the Student Edition, and adds extensive extra subject coverage, detail and over 1500 references. The additional material adds a deeper understanding of the models used, and includes a broader range of applications and case studies. Providing a complete in-depth reference for a more advanced audience, this edition will find a place on the bookshelves of researchers and advanced students of organic, physical organic and computational chemistry. The student edition of Molecular Orbitals and Organic Chemical Reactions presents molecular orbital theory in a simplified form, and offers an invaluable first textbook on this important subject for students of organic, physical organic and computational chemistry. Further information can be viewed here. «These books are the result of years of work, which began as an attempt to write a second edition of my 1976 book Frontier Orbitals and Organic Chemical Reactions. I wanted to give a rather more thorough introduction to molecular orbitals, while maintaining my focus on the organic chemist who did not want a mathematical account, but still wanted to understand organic chemistry at a physical level. I'm delighted to win this prize, and hope a new generation of chemists will benefit from these books.» -Professor Ian Fleming

This book – a sequel of previous publications ‘Flows and Chemical Reactions’, ‘Chemical Reactions Flows in Homogeneous Mixtures’ and ‘Chemical Reactions and Flows in Heterogeneous Mixtures’ – is devoted to flows with chemical reactions in the electromagnetic field. The first part, entitled basic equations, consists of four chapters. The first chapter provides an overview of the equations of electromagnetism in Minkowski spacetime. This presentation is extended to balance equations, first in homogeneous media unpolarized in the second chapter and homogeneous fluid medium polarized in the third chapter. Chapter four is devoted to heterogeneous media in the presence of electromagnetic field. Balance equations at interfaces therein. The second part of this volume is entitled applications. It also includes four chapters. Chapter five provides a study of the action of fields on fire. Chapter six deals with a typical application for the Peltier effect, chapter seven is devoted to metal-plasma interaction, especially in the Langmuir probe and finally Chapter Eight deals with the propulsion Hall effect. Are given in appendix supplements the laws of balance with electromagnetic field and described the methodology for establishing one-dimensional equations for flow comprising active walls as is the case in some Hall effect thrusters.

Thermodynamics of Biochemical Reactions emphasizes the fundamental equations of thermodynamics and the application of these equations to systems of biochemical reactions. This emphasis leads to new thermodynamic potentials that provide criteria for spontaneous change and equilibrium under the conditions in a living cell.

As little as a decade ago, radicals were regarded as interesting reactive intermediates with little synthetic use. However, recent results show that radicals have an enormous potential for applications in stereoselective reactions – it's all a matter of knowing what method to use and how to apply it. Three world experts in the field have combined their expertise and present the concepts to understand and even to predict the course of stereoselective radical reactions. In addition, guidelines are established which will enable the readers to plan and carry out their own stereoselective syntheses with radicals. A comprehensive list of references provides an easy access to the primary literature. The Stereochemistry of Radical Reactions is a highly topical introduction to this burgeoning field of research. Both advanced students and researchers active in the field will welcome this book as a source of concepts and ideas.