Modeling of Chemical Reactions book cover

Modeling of Chemical Reactions

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.

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

Hardbound, 316 Pages

Published: September 2007

Imprint: Elsevier

ISBN: 978-0-444-51366-3


  • Draft Table of Contents1. 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)


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