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Modeling of Chemical Reactions
 
 

Modeling of Chemical Reactions, 1st Edition

 
Modeling of Chemical Reactions, 1st Edition,R.W. Carr,ISBN9780444513663
 
 
 

R Carr   

Elsevier Science

9780444513663

9780080546179

316

240 X 165

The principles of chemical kinetics, molecular theories of kinetics, the development of reaction mechanisms and model optimization presented in one book

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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

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.

Readership

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

R.W. Carr

Affiliations and Expertise

Bloomington, MN, USA

Modeling of Chemical Reactions, 1st Edition

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)
 
 
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