Kinetics and Dynamics of Elementary Gas Reactions

Kinetics and Dynamics of Elementary Gas Reactions

Author: Ian W. M. Smith

Publisher: Butterworth-Heinemann

Published: 2013-10-22

Total Pages: 400

ISBN-13: 1483161994

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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.


Reaction Dynamics

Reaction Dynamics

Author: Mark Brouard

Publisher:

Published: 2023

Total Pages: 0

ISBN-13: 9780191992278

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This text gives a concise account of the dynamics and kinetics of elementary reactions in the gas phase, and is structured to emphasize the relationship between thermal rate coefficients and the microscopic mechanisms of chemical reactions.


Gas-Phase Reactions

Gas-Phase Reactions

Author: V.N. Kondratiev

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 254

ISBN-13: 3642676081

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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.


Theoretical Studies of Gas Phase Elementary Reactions

Theoretical Studies of Gas Phase Elementary Reactions

Author: Keiji Morokuma

Publisher:

Published: 1998

Total Pages: 18

ISBN-13:

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Understanding the mechanism, kinetics and dynamics of elementary gas phase reactions is one of the major goals of chemistry. Such understanding is also essential to predicting and understanding plasma dynamics and optical radiation associated with the spacecraft-atmosphere interactions. The objective of the present research was to provide, based on mainly the ab initio molecular orbital and some dynamics calculations, theoretical information concerning the potential energy surfaces that dictate the kinetics and dynamics of gas phase elementary reactions. The reactions studied include ion-molecule reactions, photochemical reactions and neutral elementary reactions. Many of the systems for which theoretical calculations were performed in the present research are relevant to atmospheric chemistry and chemical lasers. Many systems were chosen based on the experimental studies and in collaboration with scientists at Air Force Research Laboratory, in order to provide them with some new insight that is not easily available without theoretical studies.


Gas-Phase Molecular Dynamics

Gas-Phase Molecular Dynamics

Author:

Publisher:

Published: 2009

Total Pages:

ISBN-13:

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This research is carried out as part of the Gas-Phase Molecular Dynamics program in the Chemistry Department at Brookhaven National Laboratory. High-resolution spectroscopy, augmented by theoretical and computational methods, is used to investigate the structure and collision dynamics of chemical intermediates in the elementary gas-phase reactions involved in combustion chemistry. Applications and methods development are equally important experimental components of this work.


Gas Phase Metal Reactions

Gas Phase Metal Reactions

Author: A. Fontijn

Publisher: Elsevier

Published: 2017-05-04

Total Pages: 711

ISBN-13: 1483291219

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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.


Gas Phase Chemical Reaction Systems

Gas Phase Chemical Reaction Systems

Author: Jürgen Wolfrum

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 350

ISBN-13: 3642802990

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This volume consists of edited papers presented at the International Symposion Gas Phase Chemical Reaction Systems: Experiments and Models 100 Years After Max Bodenslein, held at the Internationales Wissenschaftsforum Heidelberg (IWH) in Heidelberg during July 25-28, 1995. The intention of this symposion was to bring together leading researchers from the fields of reaction dynamics, kinetics, catalysis and reactive flow model ling to discuss and review the advances in the understanding of chemical kinetics about 100 years after Max Bodenstein's pioneering work on the "hydrogen iodine reaction", which he carried out at the Chemistry Institute of the University of Heidelberg. The idea to focus in his doctoral thesis [1] on this reaction was brought up by his supervisor Victor Meyer (successor of Robert Bunsen at the Chemistry Institute of the University of Heidelberg) and originated from the non reproducible behaviour found by Bunsen and Roscoe in their early photochemical investigations of the H2/Cl2 system [2] and by van't Hoff [3], and V. Meyer and co-workers [4] in their experiments on the slow combustion of H2/02 mixtures.