Chemical Kinetics

This book is a progressive presentation of kinetics of the chemicalreactions. It provides complete coverage of the domain of chemicalkinetics, which is necessary for the various future users in thefields of Chemistry, Physical Chemistry, Materials Science,Chemical Engineering, Macromolecular Chemistry and Combustion. Itwill help them to understand the most sophisticated knowledge oftheir future job area. Over 15 chapters, this book present the fundamentals of chemicalkinetics, its relations with reaction mechanisms and kineticproperties. Two chapters are then devoted to experimental resultsand how to calculate the kinetic laws in both homogeneous andheterogeneous systems. The following two chapters describe the mainapproximation modes to calculate these laws. Three chapters aredevoted to elementary steps with the various classes, theprinciples used to write them and their modeling using the theoryof the activated complex in gas and condensed phases. Threechapters are devoted to the particular areas of chemical reactions,chain reactions, catalysis and the stoichiometric heterogeneousreactions. Finally the non-steady-state processes of combustion andexplosion are treated in the final chapter.

DIVThis text teaches the principles underlying modern chemical kinetics in a clear, direct fashion, using several examples to enhance basic understanding. Solutions to selected problems. 2001 edition. /div

Chemical Kinetics bridges the gap between beginner and specialist with a path that leads the reader from the phenomenological approach to the rates of chemical reactions to the state-of-the-art calculation of the rate constants of the most prevalent reactions: atom transfers, catalysis, proton transfers, substitution reactions, energy transfers and electron transfers. For the beginner provides the basics: the simplest concepts, the fundamental experiments, and the underlying theories. For the specialist shows where sophisticated experimental and theoretical methods combine to offer a panorama of time-dependent molecular phenomena connected by a new rational. Chemical Kinetics goes far beyond the qualitative description: with the guidance of theory, the path becomes a reaction path that can actually be inspected and calculated. But Chemical Kinetics is more about structure and reactivity than numbers and calculations. A great emphasis in the clarity of the concepts is achieved by illustrating all the theories and mechanisms with recent examples, some of them described with sufficient detail and simplicity to be used in general chemistry and lab courses. * Looking at atoms and molecules, and how molecular structures change with time. * Providing practical examples and detailed theoretical calculations * Of special interest to Industrial Chemistry and Biochemistry

The book is a short primer on chemical reaction rates based on a six-lecture first-year undergraduate course taught by the author at the University of Oxford. The book explores the various factors that determine how fast or slowly a chemical reaction proceeds and describes a variety of experimental methods for measuring reaction rates. The link between the reaction rate and the sequence of steps that makes up the reaction mechanism is also investigated. Chemical reaction rates is a core topic in all undergraduate chemistry courses.

Chemical Kinetics and Catalysis is a comprehensive guide to chemical kinetics and catalysis, and focuses on the use of computational tools for studying chemical kinetics and catalytic phenomena. Provides a thorough and up-to-date treatment of chemical kinetics and catalysis, combining traditional background information with the latest computational methods for fitting data to appropriate rate equations. Demonstrates how the vastly improved computational tools now available allow application of kinetic concepts to understanding and predicting the behavior of diverse and complex phenomena, including biological systems, semiconductor growth, and corrosion. Contains chapters reviewing of kinetic concepts, introducing kinetics via rate equations and mechanisms, explaining the theory of reaction rates (a section on trajectory calculations to simulate reactions), predicting potential energy surfaces (methods for directing the reaction rate), and discussing catalysis with a focus on modifying the reaction rate. A useful reference guide, providing the essential basics along with numerous solved examples, problems, and illustrative computer programs.

Unimolecular reactions are in principle the simplest chemical reactions, because they only involve one molecule. The basic mechanism, in which the competition between the chemical reaction step and a collisional deactivation leads to a pressure-dependent coefficient, has been understood for a long time. However, this is a rapidly developing field, and many new and important discoveries have been made in the past decade. This First Part Part of Two CCK Volumes dealing with Unimolecular Rections, deals with the Reaction Step. The first chapter is an introduction to the whole project, aiming to cover the material necessary to understand the content of the detailed chapters, as well as the history of the development of the area. Chapter 2 is a review of the modern view of the statistical theories, as embodied in the various forms of RRKM theory. Chapter 3 deals with the fully quantum mechanical view of reactive states as resonances. . Presents considerable advances in the field made during the last decade. . Treats both the statistical as well as the fully quantum mechanical view.

Processes involving randomly moving particles, which react either upon encounter or via distance-dependent reaction rates, are ubiquitous in nature. A few stray examples are recombination of ions or holes and electrons, excitation energy migration and quenching, trapping of particles by other species, coagulation, binding of ligands and proteins to specific sites, chemotaxis, catalytically-induced self-propulsion, polymerization, growth of dendrites or aggregates, or nuclei of a new phase.Several decades ago, it was recognized that the kinetic behavior in some systems with reactions and random transport is strongly affected by many factors, which were not taken into account in previous studies. These are, to name but a few, fluctuations in the spatial distributions of the reactants and fluctuations of the reactivity, some essentially many-particle phenomena, effects of anomalous diffusion, molecular crowding, as well as the internal geometry of the reaction bath. Within recent years, along with a growing interest in chemical processes ocurring in biological systems or cellular environments, numerous advances have been made and considerable knowledge has been acquired. These seminal contributions are, however, scattered among many journals and no attempt has been made so far to present a unified picture.This book presents a general overview of different contemporary facets of chemical kinetics in a variety of different environments. It includes 23 seminal works and reviews on different aspects of reaction processes in chemical, physical and biophysical systems, both theoretical and experimental.

Introduction to Chemical Kinetics is a compilation of lecture notes of the author about principles, concepts, and theories in chemical kinetics. The book tackles the nature of chemical kinetics, reaction rates and order, and thermodynamic consistency of rate laws. The effects of temperature on kinetics, prediction of reaction rates, gas-phase reactions, and controlled reactions are also discussed. The text also explains the reactions catalyzed by enzymes; reactions in solids and heterogenous systems; oxidation of metals; catalysis of reactions by solids; and methods for different reaction rates. The monograph is recommended as a textbook for undergraduate students in chemistry who are currently taking up kinetics, as it is an easily understood and concise book that can also be used as reference.

Advances in Kinetics and Mechanism of Chemical Reactions describes the chemical physics and/or chemistry of ten novel material or chemical systems. These ten novel material or chemical systems are examined in the context of various issues, including structure and bonding, reactivity, transport properties, polymer properties, or biological characteristics. This eclectic survey encompasses a special focus on the associated kinetics, reaction mechanism, or other chemical physics properties of these ten chosen material or chemical systems. The most contemporary chemical physics methods and principles are applied to the characterization of the these ten properties. The coverage is broad, ranging from the study of biopolymers to the analysis of antioxidant and medicinal chemical activity, on the one hand, to the determination of the chemical kinetics of not chemical systems and the characterization of elastic properties of novel nanometer scale material systems on the other. The chemical physics methods used to characterize these ten novel systems are state-of-the-art, and the results should be intriguing to those in the chemistry, physics, and nanoscience fields, include scientists engaged in chemical physics research and the polymer chemistry.

Basic concepts of both experimental and theoretical chemical kinetics are concisely explained for those seeking a general knowledge of the subject from this well-known text, now being totally revised and updated. In addition, the book is an invaluable starting point for those embarking on research in kinetics and physical chemistry. Extensive chapter bibliographies point the way toward more detailed accounts or specialized aspects. Historical background included in both chapter introductions and biographical sketches of important researches in chemical kinetics.

This series of volumes aims to publish authoritative review articles on a wide range of exciting and contemporary topics in gas and condensed phase kinetics. Research in Chemical Kinetics complements the acclaimed series Comprehensive Chemical Kinetics, and is edited by the same team of professionals. The reviews contained in this volume are concise, topical accounts of specific research written by acknowledged experts. The authors summarize their latest work and place it in a general context. Particular strengths of the volume are the quality of the contributions and their topicality, and the rapid publication realized.

Chemical Kinetics and Mechanism considers the role of rate of reaction. It begins by introducing chemical kinetics and the analysis of reaction mechanism, from basic well-established concepts to leading edge research. Organic reaction mechanisms are then discussed, encompassing curly arrows, nucleophilic substitution and E1 and E2 elimination reactions. The book concludes with a Case Study on Zeolites, which examines their structure and internal dimensions in relation to their behaviour as molecular sieves and catalysts. The accompanying CD-ROM contains the "Kinetics Toolkit", a graph-plotting application designed for manipulation and analysis of kinetic data, which is built into many of the examples, questions and exercises in the text. There are also interactive activities illustrating reaction mechanisms. The Molecular World series provides an integrated introduction to all branches of chemistry for both students wishing to specialise and those wishing to gain a broad understanding of chemistry and its relevance to the everyday world and to other areas of science. The books, with their Case Studies and accompanying multi-media interactive CD-ROMs, will also provide valuable resource material for teachers and lecturers. (The CD-ROMs are designed for use on a PC running Windows 95, 98, ME or 2000.)

Principles of Chemical Kinetics is devoted to the principles and applications of chemical kinetics. The phenomenology and commonly used theories of chemical kinetics are presented in a critical manner, with particular emphasis on collision dynamics. How and what mechanistic information can be obtained from various experimental approaches is stressed throughout this book. Comprised of nine chapters, this text opens with an overview of reaction rates and their empirical analysis, along with theories of chemical kinetics. The following chapters consider reactions and unimolecular decompositions in the gas phase; chemical reactions in molecular beams; and energy transfer and partitioning in chemical reactions. Kinetics in liquid solutions and fast reactions in liquids are also described. The final chapter looks at the kinetics of enzymes, with particular reference to steady state and transient state kinetics, the pH and temperature dependence of kinetic parameters, and the mechanism underlying enzymatic action. This monograph is intended for students with a general college background in chemistry, physics, and mathematics, and with a typical undergraduate course in physical chemistry.

Selecting the best type of reactor for any particular chemical reaction, taking into consideration safety, hazard analysis, scale-up, and many other factors is essential to any industrial problem. An understanding of chemical reaction kinetics and the design of chemical reactors is key to the success of the of the chemist and the chemical engineer in such an endeavor. This valuable reference volume conveys a basic understanding of chemical reactor design methodologies, incorporating control, hazard analysis, and other topics not covered in similar texts. In addition to covering fluid mixing, the treatment of wastewater, and chemical reactor modeling, the author includes sections on safety in chemical reaction and scale-up, two topics that are often neglected or overlooked. As a real-world introduction to the modeling of chemical kinetics and reactor design, the author includes a case study on ammonia synthesis that is integrated throughout the text. The text also features an accompanying CD, which contains computer programs developed to solve modeling problems using numerical methods. Students, chemists, technologists, and chemical engineers will all benefit from this comprehensive volume. Shows readers how to select the best reactor design, hazard analysis, and safety in design methodology Features computer programs developed to solve modeling problems using numerical methods

Contents: Chemical Kinetics, Determination of Order of Reaction, Activation Energy and Chemical Reactions, KineticsofFastReactions, Photo chemistry, Kineticsof Homogeneous Reactions and Catalysis.

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.

This book began as a program of self-education. While teaching under graduate physical chemistry, I became progressively more dissatisfied with my approach to chemical kinetics. The solution to my problem was to write a detailed set of lecture notes which covered more material, in greater depth, than could be presented in undergraduate physical chemistry. These notes are the foundation upon which this book is built. My background led me to view chemical kinetics as closely related to transport phenomena. While the relationship of these topics is well known, it is often ignored, except for brief discussions of irreversible thermody namics. In fact, the physics underlying such apparently dissimilar processes as reaction and energy transfer is not so very different. The intermolecular potential is to transport what the potential-energy surface is to reactivity. Instead of beginning the sections devoted to chemical kinetics with a discussion of various theories, I have chosen to treat phenomenology and mechanism first. In this way the essential unity of kinetic arguments, whether applied to gas-phase or solution-phase reaction, can be emphasized. Theories of rate constants and of chemical dynamics are treated last, so that their strengths and weaknesses may be more clearly highlighted. The book is designed for students in their senior year or first year of graduate school. A year of undergraduate physical chemistry is essential preparation. While further exposure to chemical thermodynamics, statistical thermodynamics, or molecular spectroscopy is an asset, it is not necessary.

Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.

Chemical Kinetics The Study of Reaction Rates in Solution Kenneth A. Connors This chemical kinetics book blends physical theory, phenomenology and empiricism to provide a guide to the experimental practice and interpretation of reaction kinetics in solution. It is suitable for courses in chemical kinetics at the graduate and advanced undergraduate levels. This book will appeal to students in physical organic chemistry, physical inorganic chemistry, biophysical chemistry, biochemistry, pharmaceutical chemistry and water chemistry all fields concerned with the rates of chemical reactions in the solution phase.