Flows and Chemical Reactions in Heterogeneous Mixtures

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.

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.

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.

Capillary phenomena occur in both natural and human-made systems, from equilibria in the presence of solids (grains, walls, metal wires) to multiphase flows in heterogeneous and fractured porous media. This book, composed of two volumes, develops fluid mechanics approaches for two immiscible fluids (water/air or water/oil) in the presence of solids (tubes, joints, grains, porous media). Their hydrodynamics are typically dominated by capillarity and viscous dissipation. This first volume presents the basic concepts and investigates two-phase equilibria, before analyzing two-phase hydrodynamics in discrete and/or statistical systems (tubular pores, planar joints). It then studies flows in heterogeneous and stratified porous media, such as soils and rocks, based on Darcy’s law. This analysis includes unsaturated flow (Richards equation) and two-phase flow (Muskat equations). Overall, the two volumes contain basic physical concepts, theoretical analyses, field investigations and statistical and numerical approaches to capillary-driven equilibria and flows in heterogeneous systems

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.

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.

This Second Edition is the premier name resource in the field. It provides a handy resource for navigating the web of named reactions and reagents. Reactions and reagents are listed alphabetically, followed by relevant mechanisms, experimental data (including yields where available), and references to the primary literature. The text also includes three indices based on reagents and reactions, starting materials, and desired products. Organic chemistry professors, graduate students, and undergraduates, as well as chemists working in industrial, government, and other laboratories, will all find this book to be an invaluable reference.

Rotating Thermal Flows in Natural and Industrial Processes provides the reader with a systematic description of the different types of thermal convection and flow instabilities in rotating systems, as present in materials, crystal growth, thermal engineering, meteorology, oceanography, geophysics and astrophysics. It expressly shows how the isomorphism between small and large scale phenomena becomes beneficial to the definition and ensuing development of an integrated comprehensive framework. This allows the reader to understand and assimilate the underlying, quintessential mechanisms without requiring familiarity with specific literature on the subject. Topics treated in the first part of the book include: • Thermogravitational convection in rotating fluids (from laminar to turbulent states); • Stably stratified and unstratified shear flows; • Barotropic and baroclinic instabilities; • Rossby waves and Centrifugally-driven convection; • Potential Vorticity, Quasi-Geostrophic Theory and related theorems; • The dynamics of interacting vortices, interacting waves and mixed (hybrid) vortex-wave states; • Geostrophic Turbulence and planetary patterns. The second part is entirely devoted to phenomena of practical interest, i.e. subjects relevant to the realms of industry and technology, among them: • Surface-tension-driven convection in rotating fluids; • Differential-rotation-driven (forced) flows; • Crystal Growth from the melt of oxide or semiconductor materials; • Directional solidification; • Rotating Machinery; • Flow control by Rotating magnetic fields; • Angular Vibrations and Rocking motions; Covering a truly prodigious range of scales, from atmospheric and oceanic processes and fluid motion in “other solar-system bodies”, to convection in its myriad manifestations in a variety of applications of technological relevance, this unifying text is an ideal reference for physicists and engineers, as well as an important resource for advanced students taking courses on the physics of fluids, fluid mechanics, thermal, mechanical and materials engineering, environmental phenomena, meteorology and geophysics.