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.
Download or read book Theory of Unimolecular Reactions written by Wendell Forst and published by Elsevier. This book was released on 2012-12-02 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: Theory of Unimolecular Reactions provides a comprehensive analysis of the theory of unimolecular reactions, also known to kineticists as the Rice-Marcus or the Rice-Ramsperger-Kassel-Marcus theory, and to those working in mass spectrometry and related fields as the quasi-equilibrium theory or the theory of mass spectra. This book demonstrates how theoretical parameters are related to experimental observables and describes the methods that are used to obtain useful numerical answers. This monograph consists of 11 chapters and begins by explaining the derivation of the expression for the basic rate k(E), with emphasis on the unimolecular rate constant, intramolecular energy transfer, and potential energy surfaces in unimolecular reactions. The statistical calculation of unimolecular rate under vibrational potential is also given, along with pertinent degrees of freedom. The remaining chapters explore the energy distribution functions appropriate to each system, the averaging of k(E), and the relations between theoretical and experimental parameters. Thermal reactions, chemical activation systems, and the theory of mass spectra are examined. The last chapter is devoted to the transition state and its ambiguities. This text will be of interest to gas kineticists, mass spectrometrists, and students and researchers working in the field of physical chemistry.
Download or read book Unimolecular Reactions written by Kenneth A. Holbrook and published by John Wiley & Sons. This book was released on 1996-07-10 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: Representing major advances in this area of gas kinetics in the last twenty-five years, Unimolecular Reactions has been considerably rewritten to include important recent progress in both theory and experiment. New chapters cover the treatment of reactions with 'loose' transition states, the Master equation, and the approximate forms of Statistical Adiabatic Channel Theory. Extensive illustrations highlight both established activation methods and newer techniques such as the use of infrared and UV lasers, overtone excitation, molecular beam experiments and mass spectrometric methods.
Download or read book Unimolecular Reactions written by Wendell Forst and published by Cambridge University Press. This book was released on 2003-09-25 with total page 342 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook covers the basics necessary for understanding the statistical theory of unimolecular reactions in its original and variational, phase-space and angular momentum-conserved incarnations. Because the emphasis is on "why" rather than "how to", there are many problems and answers to explore further. The book is targeted at graduate and advanced undergraduate students studying chemical dynamics, chemical kinetics and theoretical chemistry.
Download or read book Unimolecular Reaction Dynamics written by Tomas Baer and published by Oxford University Press. This book was released on 1996-06-27 with total page 447 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a penetrating and comprehensive description of energy selected reactions from a theoretical as well as experimental view. Three major aspects of unimolecular reactions involving the preparation of the reactants in selected energy states, the rate of dissociation of the activated molecule, and the partitioning of the excess energy among the final products, are fully discussed with the aid of 175 illustrations and over 1,000 references, most from the recent literature. Examples of both neutral and ionic reactions are presented. Many of the difficult topics are discussed at several levels of sophistication to allow access by novices as well as experts. Among the topics covered for the first time in monograph form is a discussion of highly excited vibrational/rotational states and intramolecular vibrational energy redistribution. Problems associated with the application of RRKM theory are discussed with the aid of experimental examples. Detailed comparisons are also made between different statistical models of unimolecular decomposition. Both quantum and classical models not based on statistical assumptions are described. Finally, a chapter devoted to the theory of product energy distribution includes the application of phase space theory to the dissociation of small and large clusters. The work will be welcomed as a valuable resource by practicing researchers and graduate students in physical chemistry, and those involved in the study of chemical reaction dynamics.
Download or read book Theory of Unimolecular and Recombination Reactions written by Robert G. Gilbert and published by Wiley-Blackwell. This book was released on 1990-01-01 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Comprehensive Chemical Kinetics written by Nicholas Green and published by Elsevier. This book was released on 2003-11-21 with total page 263 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
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
Download or read book The Quantum Theory of Unimolecular Reactions written by H. O. Pritchard and published by Cambridge University Press. This book was released on 2009-06-04 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: When this book was first published in 1984, the discovery of laser-induced mutliphoton chemical reactions had led to a resurgence of interest in the theory of unimolecular reactions. Attempts to explain these phenomena had been built on a very imperfectly understood theory of thermal unimolecular reactions. In this book, Professor Pritchard presents a treatment that dissects the unimolecular reaction process into a sequence of distinct phases, so that the assumptions of the theory can be clearly seen, and confusion over the theory avoided. As such it provides a self-consistent foundation upon which to begin to treat these phenomena. Postgraduate students and research workers in physical chemistry will find this an invaluable textbook on a topic that has suddenly become of primary importance.
Download or read book Application of Transition State Theory to Unimolecular Reactions written by John Herbert Beynon and published by John Wiley & Sons. This book was released on 1984 with total page 104 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Kinetics of Gas Reactions written by V. N. Kondrat'Ev and published by Elsevier. This book was released on 2016-01-22 with total page 843 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Kinetics of Gas Reactions explores the advances in gas kinetics and thermal, photochemical, electrical discharge, and radiation chemical reactions. This book is composed of 10 chapters, and begins with the presentation of general kinetic rules for simple and complex chemical reactions. The next chapters deal with the experimental methods for evaluating chemical reaction mechanisms and some theories of elementary chemical processes. These topics are followed by discussions on certain class of chemical reactions, including unimolecular, bimolecular, and termolecular reactions. The remaining chapters examine gas reactions, such as molecular collisions, photochemical reactions, chemical reactions in electrical discharge, chain reactions, and combustion. This book will be of value to reaction kinetics engineers and researchers.
Download or read book Advanced Physical Chemistry written by DN Bajpai and published by S. Chand Publishing. This book was released on 2001-01-21 with total page 1056 pages. Available in PDF, EPUB and Kindle. Book excerpt: A Textbook for B.Sc. (Part III and Hons.) and Postgraduate Courses of Indian Universities. In this edition, I have made major changes in the light of modern concepts introduced in syllabi at the under-graduate and postgraduate level as well. With matter has also been updated. The subject matter has been arranged systematically, in a lucid style and simple language. New Problems and exercises have also been introduced to acquaint the students with trend of questions they except in the examinations.
Download or read book Dynamics of Molecules and Chemical Reactions written by Robert Wyatt and published by CRC Press. This book was released on 1996-06-27 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers both molecular and reaction dynamics. The work presents important theroetical and computational approaches to the study of energy transfer within and between molecules, discussing the application of these approaches to problems of experimental interest. It also describes time-dependent and time-independent methods, variational and perturbative techniques, iterative and direct approaches, and methods based upon the use of physical grids of finite sets of basic function.
Download or read book Theories of Molecular Reaction Dynamics written by Niels E. Henriksen and published by Oxford Graduate Texts. This book was released on 2018 with total page 458 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with a central topic at the interface of chemistry and physics--the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. The emphasis is on concepts and insights obtained via analytical theories rather than computational and numerical aspects. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics, the dynamics of uni- and bi-molecular elementary reactions are described. The book features a comprehensive presentation of transition-state theory which plays an important role in practice, and a detailed discussion of basic theories of reaction dynamics in condensed phases. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems. The second edition includes updated descriptions of adiabatic and non-adiabatic electron-nuclear dynamics, an expanded discussion of classical two-body models of chemical reactions, including the Langevin model, additional material on quantum tunnelling and its implementation in Transition-State Theory, and a more thorough description of the Born and Onsager models for solvation.
Download or read book Handbook of Biochemical Kinetics written by Daniel L. Purich and published by Elsevier. This book was released on 1999-10-26 with total page 811 pages. Available in PDF, EPUB and Kindle. Book excerpt: Biochemical kinetics refers to the rate at which a reaction takes place. Kinetic mechanisms have played a major role in defining the metabolic pathways, the mechanistic action of enzymes, and even the processing of genetic material. The Handbook of Biochemical Kinetics provides the "underlying scaffolding" of logic for kinetic approaches to distinguish rival models or mechanisms. The handbook also comments on techniques and their likely limitations and pitfalls, as well as derivations of fundamental rate equations that characterize biochemical processes. Key Features* Over 750 pages devoted to theory and techniques for studying enzymic and metabolic processes* Over 1,500 definitions of kinetic and mechanistic terminology, with key references* Practical advice on experimental design of kinetic experiments* Extended step-by-step methods for deriving rate equations* Over 1,000 enzymes, complete with EC numbers, reactions catalyzed, and references to reviews and/or assay methods* Over 5,000 selected references to kinetic methods appearing in the Methods in Enzymology series* 72-page Wordfinder that allows the reader to search by keywords* Summaries of mechanistic studies on key enzymes and protein systems* Over 250 diagrams, figures, tables, and structures
Download or read book Kinetics and Mechanism written by John W. Moore and published by John Wiley & Sons. This book was released on 1981-09-30 with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt: The third edition of a classic text originally by Frost and Pearson, that describes the fundamental principles and established practices that apply to the study and the rates and mechanisms of homogeneous chemical reactions in the gas phase and in solution. Incorporates new advances made during the past 20 years in the study of individual molecular collisions by molecular-beam, laser applications to experimental kinetics, theoretical treatments of reaction rates and our understanding of the principles that govern rates of reaction in solution. Presents numerous examples of the deduction of mechanism from experiment, including intimate details such as stereochemistry and the dependence of reaction pathway on the exact energy states of reacting particles.
Download or read book Kinetics Of Gas Reaction VIB written by Willhelm Jost and published by Elsevier. This book was released on 2012-12-02 with total page 545 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physical Chemistry: An Advanced Treatise: Kinetics of Gas Reactions, Volume VIB, is devoted to gas phase chemical reactions. The purpose of this treatise is to present a comprehensive treatment of physical chemistry for advanced students and investigators in a reasonably small number of volumes. An attempt has been made to include all important topics in physical chemistry together with borderline subjects which are of particular interest and importance. The book contains six chapters and begins with a study on the elastic and inelastic scattering of ions on molecules, including such topics as rainbow scattering, reactive scattering, and experimental procedures and results of high-resolution measurements. This is followed by separate chapters on collision processes and the theory of elastic scattering; and atom reactions, with a discussion of experimental techniques (static, flow, and pulse methods), among the selected examples being the reactions of H, O, C, and N atoms with alkanes, alkenes, acetylene, sulfur, and nitrogen compounds. Subsequent chapters deal with experimental methods and results obtained by several techniques of relaxation methods in gases; thermal unimolecular reactions; and the interactions between chemical reactions, transport processes, and flow phenomena.
