Modeling of Chemical Reactions
- R.W. Carr, Bloomington, MN, USA
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
- Published: September 2007
- Imprint: ELSEVIER
- ISBN: 978-0-444-51366-3
Table of ContentsDraft 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)