Kinetics and Dynamics of Elementary Gas Reactions

Kinetics and Dynamics of Elementary Gas Reactions

Butterworths Monographs in Chemistry and Chemical Engineering

1st Edition - January 1, 1980

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  • Author: Ian W. M. Smith
  • eBook ISBN: 9781483161990

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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.

Table of Contents

  • Preface

    Part 1: The Theoretical Background

    1 Macroscopic and Microscopic Kinetics

    1.1 Elementary Reactions

    1.2 Macroscopic Kinetics

    1.3 Microscopic Kinetics

    1.4 Towards a Detailed Rate Theory for Collisional Reactions

    1.5 Summary

    2 The Electronic Potential Energy in Molecular Systems

    2.1 General Introduction

    2.2 Diatomic Systems

    2.3 Triatomic Systems

    2.4 Electronic States of Molecules and the Adiabatic Correlation Rules

    3 Molecular Collision Dynamics

    3.1 General Introduction

    3.2 General Principles of Classical Dynamics

    3.3 Classical Collisions between Two Particles

    3.4 Simple Models of Reactive Collisions

    3.5 Classical Reaction Dynamics

    3.6 Non-Classical Calculations on Reaction Dynamics

    4 Statistical Theories of Reaction Rates

    4.1 Relationships from Statistical Mechanics

    4.2 Transition State Theory

    4.3 Microcanonical Transition State Theory

    4.4 'Special' Quantum Effects in Transition State Theory

    4.5 Unimolecular Reactions

    4.6 Detailed Reaction Cross-Sections and Rate Constants

    Part 2: Comparisons between Experiment and Theory

    5 Thermal Rate Data

    5.1 General Introduction

    5.2 Experimental Methods

    5.3 Bimolecular Reactions

    5.4 The H3 Reactions

    5.5 'Non-Arrhenius' Behavior

    5.6 Kinetic Isotope Effects

    5.7 Unimolecular Reactions

    5.8 Atomic Recombination

    6 Detailed Rate Constants

    6.1 General Introduction

    6.2 Experimental Methods: Excitation of Products

    6.3 Energy Disposal in Chemical Reactions

    6.4 Experimental Methods: Excitation of Reagents

    6.5 Selective Excitation: Unimolecular Processes

    6.6 Selective Excitation: Bimolecular Reactions

    6.7 State-to-State Rate Constants

    7 Reactive Scattering

    7.1 Introduction

    7.2 Experimental Methods

    7.3 Interpretation of Scattering Experiments

    7.4 Reactions of Metal Atoms and Dimers

    7.5 Reactions of Non-metal Species

    Appendix 1: Units, Conversion Factors and Fundamental Constants

    A1.1 Basic Units

    A1.2 Derived Units

    A1.3 Prefixes for SI Units

    A1.4 Conversion Factors

    A1.5 Fundamental Constants

    Appendix 2: Symbols

    Appendix 3: Statistical Mechanics

    A3.1 Translation (One-dimension)

    A3.2 Translation (Three-dimensions)

    A3.3 Rotation (Linear Molecules)

    A3.4 Rotation (Non-linear Molecules)

    A3.5 Internal Rotation

    A3.6 Vibration

    A3.7 Electronic States

    A3.8 Internal Energy and Entropy

    Reaction Index

    Subject Index

Product details

  • No. of pages: 400
  • Language: English
  • Copyright: © Butterworth-Heinemann 1980
  • Published: January 1, 1980
  • Imprint: Butterworth-Heinemann
  • eBook ISBN: 9781483161990

About the Author

Ian W. M. Smith

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