Unimolecular Kinetics

Unimolecular Kinetics

Part 2: Collisional Energy Transfer and The Master Equation

1st Edition - May 30, 2019

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  • Editor: Struan Robertson
  • Paperback ISBN: 9780444642073
  • eBook ISBN: 9780128162187

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Description

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.

Key Features

  • 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

Readership

Chemists with a focus on kinetics, as well as research institutes and industry. Instructors, graduate students and upper-level undergraduate students taking related coursework

Table of Contents

  • Part A. Collisional Energy transfer
    5. Experiment
    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

Product details

  • No. of pages: 540
  • Language: English
  • Copyright: © Elsevier 2019
  • Published: May 30, 2019
  • Imprint: Elsevier
  • Paperback ISBN: 9780444642073
  • eBook ISBN: 9780128162187

About the Series Volume Editor

Struan Robertson

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.

Affiliations and Expertise

Senior Manager, Materials Simulation Group, Dassault Systemes UK Ltd.

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