Modeling of Chemical Reactions

Modeling of Chemical Reactions

1st Edition - September 4, 2007

Write a review

  • Editor: R.W. Carr
  • eBook ISBN: 9780080546179

Purchase options

Purchase options
DRM-free (PDF, Mobi, EPub)
Sales tax will be calculated at check-out

Institutional Subscription

Free Global Shipping
No minimum order


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


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

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)

Product details

  • No. of pages: 316
  • Language: English
  • Copyright: © Elsevier Science 2007
  • Published: September 4, 2007
  • Imprint: Elsevier Science
  • eBook ISBN: 9780080546179

About the Editor

R.W. Carr

Affiliations and Expertise

Bloomington, MN, USA

Ratings and Reviews

Write a review

There are currently no reviews for "Modeling of Chemical Reactions"