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Author : Wendell Thomas Duncan
Publisher :
ISBN 13 :
Total Pages : 278 pages
Book Rating : 4.:/5 (41 download)
Download or read book Theoretical Studies of Gas Phase Reaction Rate Constants written by Wendell Thomas Duncan and published by . This book was released on 1999 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Harold S. Johnston
Publisher :
ISBN 13 :
Total Pages : 390 pages
Book Rating : 4.:/5 (37 download)
Download or read book Gas Phase Reaction Rate Theory written by Harold S. Johnston and published by . This book was released on 1966 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Ian W. M. Smith
Publisher : Butterworth-Heinemann
ISBN 13 : 1483161994
Total Pages : 400 pages
Book Rating : 4.4/5 (831 download)
Download or read book Kinetics and Dynamics of Elementary Gas Reactions written by Ian W. M. Smith and published by Butterworth-Heinemann. This book was released on 2013-10-22 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kinetics and Dynamics of Elementary Gas Reactions surveys the state of modern knowledge on elementary gas reactions to understand natural phenomena in terms of molecular behavior. Part 1 of this book describes the theoretical and conceptual background of elementary gas-phase reactions, emphasizing the assumptions and limitations of each theoretical approach, as well as its strengths. In Part 2, selected experimental results are considered to demonstrate the scope of present day techniques and illustrate the application of the theoretical ideas introduced in Part 1. This publication is intended primarily for working kineticists and chemists, but is also beneficial to graduate students.
Author : Richard Francis Grote
Publisher :
ISBN 13 :
Total Pages : 456 pages
Book Rating : 4.:/5 (1 download)
Download or read book Theoretical Studies of Condensed Phase Reaction Rate Constants written by Richard Francis Grote and published by . This book was released on 1982 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Baron Peters
Publisher : Elsevier
ISBN 13 : 0444594701
Total Pages : 636 pages
Book Rating : 4.4/5 (445 download)
Download or read book Reaction Rate Theory and Rare Events written by Baron Peters and published by Elsevier. This book was released on 2017-03-22 with total page 636 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis, diffusion limited kinetics, mean first passage times, Kramers theory, Grote-Hynes theory, transition path theory, non-adiabatic reactions, electron transfer, and topics from reaction network analysis. It is an essential reference for students, professors and scientists who use reaction rate theory or the theory of rare events. In addition, the book discusses transition state search algorithms, tunneling corrections, transmission coefficients, microkinetic models, kinetic Monte Carlo, transition path sampling, and importance sampling methods. The unified treatment in this book explains why chemical reactions and other rare events, while having many common theoretical foundations, often require very different computational modeling strategies. Offers an integrated approach to all simulation theories and reaction network analysis, a unique approach not found elsewhere Gives algorithms in pseudocode for using molecular simulation and computational chemistry methods in studies of rare events Uses graphics and explicit examples to explain concepts Includes problem sets developed and tested in a course range from pen-and-paper theoretical problems, to computational exercises
Author : B. Levitt
Publisher : Springer Science & Business Media
ISBN 13 : 1468426850
Total Pages : 342 pages
Book Rating : 4.4/5 (684 download)
Download or read book Physical Chemistry of Fast Reactions written by B. Levitt and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: The chapters in this book are devoted to the elementary reactions of small molecules in the gas phase, with some emphasis on reactions important in combustion. The first three chapters cover experimental measurements made at high temperatures, mainly using shock waves and flames; the final chapter describes discharge flow methods near room temperature. The authors-all active in the fields they describe were asked to aim at a level intermediate between a textbook and a review, designed for readers not already familiar with this branch of chemical kinetics. We hope the book will prove especially useful to research workers in related subjects, to research students, and perhaps as source material for the preparation of lectures. The examples have been chosen to illustrate the theoretical basis of the topics rather than attempt a complete coverage. Professors Wagner and Troe describe the remarkable progress made in recent years in measuring dissociation rates for small molecules. Tests ofunimolecular reaction theories are usually made in the 'fall-off' region of pressure: the kinetics change from first order to second order as the pressure is reduced. For large molecules this region lies below atmospheric pressure and is relatively easily accessible. For molecules with four or less atoms, however, the fall-off region lies well above atmospheric pressure: it has been explored using the high pressure shock tube techniques developed by the authors.
Author : D.C. Clary
Publisher : Springer Science & Business Media
ISBN 13 : 940094618X
Total Pages : 420 pages
Book Rating : 4.4/5 (9 download)
Download or read book The Theory of Chemical Reaction Dynamics written by D.C. Clary and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: The calculation of cross sections and rate constants for chemical reactions in the gas phase has long been a major problem in theoretical chemistry. The need for reliable and applicable theories in this field is evident when one considers the significant recent advances that have been made in developing experimental techniques, such as lasers and molecular beams, to probe the microscopic details of chemical reactions. For example, it is now becoming possible to measure cross sections for chemical reactions state selected in the vibrational rotational states of both reactants and products. Furthermore, in areas such as atmospheric, combustion and interstellar chemistry, there is an urgent need for reliable reaction rate constant data over a range of temperatures, and this information is often difficult to obtain in experiments. The classical trajectory method can be applied routinely to simple reactions, but this approach neglects important quantum mechanical effects such as tunnelling and resonances. For all these reasons, the quantum theory of reactive scattering is an area that has received considerable attention recently. This book describes the proceedings of a NATO Advanced Research Workshop held at CECAM, Orsay, France in June, 1985. The Workshop concentrated on a critical examination and discussion of the recent developments in the theory of chemical reaction dynamics, with particular emphasis on quantum theories. Several papers focus on exact theories for reactions.
Author : Keith J. Laidler
Publisher : Elsevier
ISBN 13 : 1483222411
Total Pages : 263 pages
Book Rating : 4.4/5 (832 download)
Download or read book Reaction Kinetics written by Keith J. Laidler and published by Elsevier. This book was released on 2013-10-22 with total page 263 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reactions Kinetics: Volume I: Homogeneous Gas Reactions presents a general introduction to the subject of kinetics, including the basic laws of kinetics and the theoretical treatment of reaction rates. This four-chapter book deals mainly with homogeneous reactions in the gas phase. Chapter 1 presents the kinetic laws based on experimental results in terms of their simple concepts, with a special consideration of the way in which rates depend on concentration, while Chapter 2 deals with the interpretation of rates in terms of more fundamental theories. Chapter 3 covers the overall reactions that are believed to be elementary, such as the reaction between hydrogen and iodine, the reverse decomposition of hydrogen iodide, the corresponding reactions involving deuterium instead of hydrogen, and the dimerizations of butadiene and cyclopentadiene, as well as a few elementary termolecular reactions, all involving nitric oxide. This chapter also includes a general account of some of the elementary reactions that occur as steps in more complex mechanisms. Chapter 4 examines the reaction rates of numerous complex gas reactions. Undergraduate physical chemistry and chemical kinetics students, as well as advanced students in other fields, such as biology and physics, will find this book invaluable.
Author : Keli Han
Publisher : Royal Society of Chemistry
ISBN 13 : 1849736502
Total Pages : 592 pages
Book Rating : 4.8/5 (497 download)
Download or read book Reaction Rate Constant Computations written by Keli Han and published by Royal Society of Chemistry. This book was released on 2014 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years' experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.
Author : W.C., Jr. Gardiner
Publisher : Springer Science & Business Media
ISBN 13 : 9780387988610
Total Pages : 564 pages
Book Rating : 4.9/5 (886 download)
Download or read book Gas-Phase Combustion Chemistry written by W.C., Jr. Gardiner and published by Springer Science & Business Media. This book was released on 1999-12-10 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Superseding Gardiner's "Combustion Chemistry", this is an updated, comprehensive coverage of those aspects of combustion chemistry relevant to gas-phase combustion of hydrocarbons. The book includes an extended discussion of air pollutant chemistry and aspects of combustion, and reviews elementary reactions of nitrogen, sulfur and chlorine compounds that are relevant to combustion. Methods of combustion modeling and rate coefficient estimation are presented, as well as access to databases for combustion thermochemistry and modeling.
Author : N. Meredith Porembski
Publisher :
ISBN 13 :
Total Pages : 246 pages
Book Rating : 4.:/5 (89 download)
Download or read book Kinetics and Mechanisms of the Gas-phase Reactions of Y and Zr with Alkenes written by N. Meredith Porembski and published by . This book was released on 2001 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : V.N. Kondratiev
Publisher : Springer Science & Business Media
ISBN 13 : 3642676081
Total Pages : 254 pages
Book Rating : 4.6/5 (426 download)
Download or read book Gas-Phase Reactions written by V.N. Kondratiev and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present monograph appears after the death of Professor V. N. Kondratiev, one of those scientists who have greatly contributed to the foundation of contem porary gas kinetics. The most fundamental idea of chemical kinetics, put for ward at the beginning of the twentieth century and connected with names such as W. Nernst, M. Bodenstein, N. N. Semenov, and C. N. Hinshelwood, was that the complex chemical reactions are in fact a manifestation of a set of simpler elementary reactions involving but a small number of species. V. N. Kondratiev was one of the first to adopt this idea and to start investigations on the elementary chemical reactions proper. These investigations revealed explicitly that every elementary reaction in turn consisted of many elementary events usually referred to as elementary processes. It took some time to realize that an elementary reaction, represented in a very simple way by a macroscopic kinetic equation, can be described on a microscopic level by a generalized Boltzmann equation. Neverheless, up to the middle of the twentieth century, gas kinetics was mainly concerned with the interpretation of complex chemical reactions via a set of elementary reactions. But later on, the situation changed drastically. First, the conditions for reducing microscopic cquations to macroscopic ones were clearly set up. These are essentially based on the fact that the small perturbations of the Maxwell-Boltzmann distribution are caused by the reaction proper.
Author : R.G. Compton
Publisher : Elsevier
ISBN 13 : 0444600701
Total Pages : 501 pages
Book Rating : 4.4/5 (446 download)
Download or read book The Theory of Kinetics written by R.G. Compton and published by Elsevier. This book was released on 2012-12-02 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Theory of Kinetics covers the practice and theory of kinetics and the kinetics of inorganic and organic reactions in gaseous and condensed phases and at interfaces. This text is composed of five chapters and starts with a review of the kinetic characterization of complex reaction systems. The succeeding chapter describes the formal and radical kinetics, as well as the energy factor in chain reactions. These topics are followed by a survey of the theory of the kinetics of elementary gas phase reactions and the unimolecular reaction of activated chemical species. The discussion then shifts to the general properties, reactions, and the theory of elementary reactions in solution. The last chapter examines the theory of kinetics of solid-state reactions. This book is of great value to physical, inorganic, and organic chemists.
Author : A. Fontijn
Publisher : Elsevier
ISBN 13 : 1483291219
Total Pages : 711 pages
Book Rating : 4.4/5 (832 download)
Download or read book Gas Phase Metal Reactions written by A. Fontijn and published by Elsevier. This book was released on 2017-05-04 with total page 711 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book brings together, for the first time, all aspects of reactions of metallic species in the gas phase and gives an up-to-date overview of the field. Reactions covered include those of atomic, other free radical and transient neutral species, as well as ions. Experimental and theoretical work is reviewed and the efforts to establish a closer link between these approaches are discussed. The field is mainly approached from a fundamental point-of-view, but the applied problems which have helped stimulate the interest are pointed out and form the major subject of the final chapters. These emphasize the competition between purely gas-phase and gas-surface reactions.
Author : Don Louis Bunker
Publisher : Pergamon
ISBN 13 :
Total Pages : 136 pages
Book Rating : 4.3/5 (91 download)
Download or read book Theory of Elementary Gas Reaction Rates written by Don Louis Bunker and published by Pergamon. This book was released on 1966 with total page 136 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : S.D. Schwartz
Publisher : Springer Science & Business Media
ISBN 13 : 9781402004100
Total Pages : 324 pages
Book Rating : 4.0/5 (41 download)
Download or read book Theoretical Methods in Condensed Phase Chemistry written by S.D. Schwartz and published by Springer Science & Business Media. This book was released on 2002-05-31 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is meant to provide a window on the rapidly growing body of theoretical studies of condensed phase chemistry. A brief perusal of physical chemistry journals in the early to mid 1980’s will find a large number of theor- ical papers devoted to 3-body gas phase chemical reaction dynamics. The recent history of theoretical chemistry has seen an explosion of progress in the devel- ment of methods to study similar properties of systems with Avogadro’s number of particles. While the physical properties of condensed phase systems have long been principle targets of statistical mechanics, microscopic dynamic theories that start from detailed interaction potentials and build to first principles predictions of properties are now maturing at an extraordinary rate. The techniques in use range from classical studies of new Generalized Langevin Equations, semicl- sical studies for non-adiabatic chemical reactions in condensed phase, mixed quantum classical studies of biological systems, to fully quantum studies of m- els of condensed phase environments. These techniques have become sufficiently sophisticated, that theoretical prediction of behavior in actual condensed phase environments is now possible. and in some cases, theory is driving development in experiment. The authors and chapters in this book have been chosen to represent a wide variety in the current approaches to the theoretical chemistry of condensed phase systems. I have attempted a number of groupings of the chapters, but the - versity of the work always seems to frustrate entirely consistent grouping.
Author : Jeffrey I. Steinfeld
Publisher : Pearson
ISBN 13 :
Total Pages : 536 pages
Book Rating : 4.3/5 (91 download)
Download or read book Chemical Kinetics and Dynamics written by Jeffrey I. Steinfeld and published by Pearson. This book was released on 1999 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text presents a balanced presentation of the macroscopic view of empirical kinetics and the microscopic molecular viewpoint of chemical dynamics. This second edition includes the latest information, as well as new topics such as heterogeneous reactions in atmospheric chemistry, reactant product imaging, and molecular dynamics of H + H2.
