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. - 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
1100698032
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. - 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
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Modeling of Chemical Reactions

Modeling of Chemical Reactions

Modeling of Chemical Reactions
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Modeling of Chemical Reactions

Modeling of Chemical Reactions

Overview

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

Product Details

ISBN-13: 9780080546179
Publisher: Elsevier Science
Publication date: 09/04/2007
Series: Comprehensive Chemical Kinetics , #42
Sold by: Barnes & Noble
Format: eBook
Pages: 316
File size: 6 MB

Table of Contents

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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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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