Modeling of Chemical Reactions - 1st Edition - ISBN: 9780444513663, 9780080546179

Modeling of Chemical Reactions, Volume 42

1st Edition

Editors: R.W. Carr
eBook ISBN: 9780080546179
Hardcover ISBN: 9780444513663
Imprint: Elsevier Science
Published Date: 4th September 2007
Page Count: 316
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Table of Contents

Draft Table of Contents

  1. Thermochemistry (K. Irikura).
  2. Introduction to chemical kinetics (R.W. Carr).
  3. Bimolecular reactions (D.G. Truhlar).
  4. Unimolecular reactions (A.M. Dean).
  5. Aerosols and nanoparticles (M. Zachariah).
  6. Group additivity methods (J.W. Bozzelli).
  7. Quantum chemistry methods (C.F. Melius).
  8. Reaction mechanisms (W. Tsang).
  9. Model development (M.T. Swihart).
  10. Model optimization (M. Frenklach)

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.

Key Features

  • 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

Readership

For graduate students for thesis research, non-experts to learn methods and experts for reference


Details

No. of pages:
316
Language:
English
Copyright:
© Elsevier Science 2007
Published:
Imprint:
Elsevier Science
eBook ISBN:
9780080546179
Hardcover ISBN:
9780444513663

About the Editors

R.W. Carr Editor

Affiliations and Expertise

Bloomington, MN, USA