Unimolecular Reactions
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Author | : V.N. Kondratiev |
Publisher | : Springer Science & Business Media |
Total Pages | : 254 |
Release | : 2012-12-06 |
Genre | : Science |
ISBN | : 3642676081 |
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 | : Wendell Forst |
Publisher | : Elsevier |
Total Pages | : 464 |
Release | : 2012-12-02 |
Genre | : Science |
ISBN | : 0323149359 |
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.
Author | : Kenneth A. Holbrook |
Publisher | : John Wiley & Sons |
Total Pages | : 448 |
Release | : 1996-07-10 |
Genre | : Science |
ISBN | : |
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.
Author | : Ishwar Das |
Publisher | : New Age International |
Total Pages | : 368 |
Release | : 2012 |
Genre | : Chemistry, Physical and theoretical |
ISBN | : 9788122415605 |
In This Broad Introduction To Physical Chemistry, The Authors Have Included The Essential Elements Of Physical Chemistry, Paying Careful Attention To The Presentation Of Material. It Also Includes Some Chapters Of New Thrusts And Frontiers Viz. Reaction Dynamics, Oscillatory Chemical Reactions, Fast Reactions Kinetics, Polymer Chemistry, Environmental Chemistry And Statistical Thermodynamics, Glossary And Latest Examination Questions Are Given At The End Of Most Chapters To Provide Practice In The Subject. The Book Can Therefore Be Used To Meet The Demands Of A Large Number Of Undergraduate Chemistry Students Of Indian Universities. It May Also Be Used As A Reference Book For Postgraduate Students.
Author | : Adam Jacobs |
Publisher | : Cambridge University Press |
Total Pages | : 328 |
Release | : 1997-07-17 |
Genre | : Science |
ISBN | : 9780521467766 |
First/second year text in chemistry.
Author | : Wendell Forst |
Publisher | : Cambridge University Press |
Total Pages | : 342 |
Release | : 2003-09-25 |
Genre | : Science |
ISBN | : 9780521529228 |
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.
Author | : P G Ashmore |
Publisher | : Royal Society of Chemistry |
Total Pages | : 410 |
Release | : 2007-10-31 |
Genre | : Science |
ISBN | : 1847556892 |
Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. Fro over 90 years The Royal Society of chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic, and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Author | : Robert G. Gilbert |
Publisher | : Wiley-Blackwell |
Total Pages | : 356 |
Release | : 1990-01-01 |
Genre | : Science |
ISBN | : 9780632027491 |
Author | : Baron Peters |
Publisher | : Elsevier |
Total Pages | : 636 |
Release | : 2017-03-22 |
Genre | : Technology & Engineering |
ISBN | : 0444594701 |
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 | : P. G. Ashmore |
Publisher | : Royal Society of Chemistry |
Total Pages | : 410 |
Release | : 1977-01-01 |
Genre | : Reference |
ISBN | : 0851867669 |
Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.