Part A. Collisional Energy transfer
6. Quantum Scattering theory
7. Classical Trajectory calculations
8. Parametric models
Part B. The master equation
9. Foundations of the model
10. Numerical methods
11. Monte Carlo Methods
12. Steady-state methods
Unimolecular Kinetics: Part 2: Collisional Energy Transfer and the Master Equation, Volume 43 in Elsevier’s Comprehensive Molecular Kinetics series, addresses collision energy transfer and the effects it has on gas phase reactions, particularly at low gas density. Such systems include combustion, industrial gas phase processes and atmospheric/environmental processes. The book also discusses The Master Equation to give a good overview of the mechanics underpinning unimolecular kinetics. This new volume will be of interest to researchers investigating gas phase processes which involve unimolecular reactions and the related intermolecular reactions.
- Discusses collision energy transfer and the effects it has on gas phase reactions
- Introduces stochastic techniques to energy transfer methods, allowing for an extension of the unimolecular theory beyond simple molecular dissociation
- Draws an important connection between detailed reaction dynamic studies and the rate of coefficient determination
Chemists with a focus on kinetics, as well as research institutes and industry. Instructors, graduate students and upper-level undergraduate students taking related coursework
- No. of pages:
- © Elsevier 2019
- 31st May 2019
- Paperback ISBN:
- eBook ISBN:
Struan H. Robertson, PhD is senior manager of the molecular simulation group at Dassult Systemes BIOVIA in the United Kingdom. Dr. Robertson has more than 30 years of experience in reaction kinetics and molecular dynamics modeling. Dr. Robertson has published 60 papers and one book, primarily covering the modelling of gas phase reactions. His primary research interests are in the modelling of elementary reactions in combustion and atmospheric systems.
Senior Manager, Materials Simulation Group, Dassault Systemes UK Ltd.