Modeling of Chemical Reactions ( Volume 42 )

Publication series :Volume 42

Author: Carr   R. W.  

Publisher: Elsevier Science‎

Publication year: 2007

E-ISBN: 9780080546179

P-ISBN(Paperback): 9780444513663

P-ISBN(Hardback):  9780444513663

Subject: O643.1 chemical kinetics

Language: ENG

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Description

Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit.

It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and would benefit from having a wide range of useful material gathered in one volume. The range of subject matter is wider than that found in many previous treatments of this subject. The technical level of the material is also quite wide, so that non-experts can gain a grasp of fundamentals, and experts also can find the book useful.

  • A solid introduction to kinetics
  • Material on computational quantum chemistry, an important new area for kinetics
  • Contains a chapter on construction of mechanisms, an approach only found in this book

Chapter

Front cover

pp.:  1 – 4

Copyright page

pp.:  5 – 6

Advisory Board

pp.:  6 – 7

Volumes in the Series

pp.:  7 – 10

Contents

pp.:  10 – 14

List of Contributors

pp.:  14 – 16

Preface

pp.:  16 – 20

Chapter 1. Introduction

pp.:  20 – 26

Chapter 2. Obtaining Molecular Thermochemistry from Calculations

pp.:  26 – 62

Chapter 3. Elements of Chemical Kinetics

pp.:  62 – 120

Chapter 4. The Kinetics of Pressure-Dependent Reactions

pp.:  120 – 204

Chapter 5. Constructing Reaction Mechanisms

pp.:  204 – 262

Chapter 6. Optimization of Reaction Models with Solution Mapping

pp.:  262 – 312

Subject Index

pp.:  312 – 318

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