Flows and Chemical Reactions

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.

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.

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

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 second, extended and updated edition presents the current state of kinetics of chemical reactions, combining basic knowledge with results recently obtained at the frontier of science. Special attention is paid to the problem of the chemical reaction complexity with theoretical and methodological concepts illustrated throughout by numerous examples taken from heterogeneous catalysis combustion and enzyme processes. Of great interest to graduate students in both chemistry and chemical engineering.

Modeling Atmospheric and Oceanic Flows: Insights from Laboratory Experiments and Numerical Simulations provides a broad overview of recent progress in using laboratory experiments and numerical simulations to model atmospheric and oceanic fluid motions. This volume not only surveys novel research topics in laboratory experimentation, but also highlights recent developments in the corresponding computational simulations. As computing power grows exponentially and better numerical codes are developed, the interplay between numerical simulations and laboratory experiments is gaining paramount importance within the scientific community. The lessons learnt from the laboratory–model comparisons in this volume will act as a source of inspiration for the next generation of experiments and simulations. Volume highlights include: Topics pertaining to atmospheric science, climate physics, physical oceanography, marine geology and geophysics Overview of the most advanced experimental and computational research in geophysics Recent developments in numerical simulations of atmospheric and oceanic fluid motion Unique comparative analysis of the experimental and numerical approaches to modeling fluid flow Modeling Atmospheric and Oceanic Flows will be a valuable resource for graduate students, researchers, and professionals in the fields of geophysics, atmospheric sciences, oceanography, climate science, hydrology, and experimental geosciences.

The authoritative guide to modeling and solving complex problems with linear programming—extensively revised, expanded, and updated The only book to treat both linear programming techniques and network flows under one cover, Linear Programming and Network Flows, Fourth Edition has been completely updated with the latest developments on the topic. This new edition continues to successfully emphasize modeling concepts, the design and analysis of algorithms, and implementation strategies for problems in a variety of fields, including industrial engineering, management science, operations research, computer science, and mathematics. The book begins with basic results on linear algebra and convex analysis, and a geometrically motivated study of the structure of polyhedral sets is provided. Subsequent chapters include coverage of cycling in the simplex method, interior point methods, and sensitivity and parametric analysis. Newly added topics in the Fourth Edition include: The cycling phenomenon in linear programming and the geometry of cycling Duality relationships with cycling Elaboration on stable factorizations and implementation strategies Stabilized column generation and acceleration of Benders and Dantzig-Wolfe decomposition methods Line search and dual ascent ideas for the out-of-kilter algorithm Heap implementation comments, negative cost circuit insights, and additional convergence analyses for shortest path problems The authors present concepts and techniques that are illustrated by numerical examples along with insights complete with detailed mathematical analysis and justification. An emphasis is placed on providing geometric viewpoints and economic interpretations as well as strengthening the understanding of the fundamental ideas. Each chapter is accompanied by Notes and References sections that provide historical developments in addition to current and future trends. Updated exercises allow readers to test their comprehension of the presented material, and extensive references provide resources for further study. Linear Programming and Network Flows, Fourth Edition is an excellent book for linear programming and network flow courses at the upper-undergraduate and graduate levels. It is also a valuable resource for applied scientists who would like to refresh their understanding of linear programming and network flow techniques.

The Nobel Prize in Chemistry 2007 awarded to Gerhard Ertl for his groundbreaking studies in surface chemistry highlighted the importance of heterogeneous catalysis not only for modern chemical industry but also for environmental protection. Heterogeneous catalysis is seen as one of the key technologies which could solve the challenges associated with the increasing diversification of raw materials and energy sources. It is the decisive step in most chemical industry processes, a major method of reducing pollutant emissions from mobile sources and is present in fuel cells to produce electricity. The increasing power of computers over the last decades has led to modeling and numerical simulation becoming valuable tools in heterogeneous catalysis. This book covers many aspects, from the state-of-the-art in modeling and simulations of heterogeneous catalytic reactions on a molecular level to heterogeneous catalytic reactions from an engineering perspective. This first book on the topic conveys expert knowledge from surface science to both chemists and engineers interested in heterogeneous catalysis. The well-known and international authors comprehensively present many aspects of the wide bridge between surface science and catalytic technologies, including DFT calculations, reaction dynamics on surfaces, Monte Carlo simulations, heterogeneous reaction rates, reactions in porous media, electro-catalytic reactions, technical reactors, and perspectives of chemical and automobile industry on modeling heterogeneous catalysis. The result is a one-stop reference for theoretical and physical chemists, catalysis researchers, materials scientists, chemical engineers, and chemists in industry who would like to broaden their horizon and get a substantial overview on the different aspects of modeling and simulation of heterogeneous catalytic reactions.

Volume 3 begins with an introduction to which are added four chapters focused on modeling and flow simulation in an environment in 2 or 3 dimensions (2D or 3D). They deal with different cases taken from situations found in the field. A conclusion comes close this third book: – The different software used in this third volume; – Computer simulation of discrete flows; – Mixed flow simulation; – Flows in 3D and the evacuation simulation; – Flows in 3D for conveying and storage The conclusion discusses the future developments of the software and their integration into society. At the end of each volume is a bibliography and a list of web links. There is also a glossary explaining some abbreviations, acronyms and some very specific terminology of logistics and operations research.