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Analysis of Kinetic Reaction Mechanisms

  • Book
  • © 2014

Overview

Authors:
  1. Tamás Turányi

    1. Institute of Chemistry, Eötvös University, Budapest, Hungary

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  2. Alison S. Tomlin

    1. School of Chemical and Process Engineering, University of Leeds, Leeds, United Kingdom

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    You can also search for this author in PubMed   Google Scholar

  • First book to discuss the practical applications of kinetic reaction mechanisms in a single comprehensive text

  • One of the only available texts to discuss the reduction of reaction mechanisms

  • Supports researchers in their attempts to produce credible and computationally efficient models

  • Includes supplementary material: sn.pub/extras

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Table of contents (10 chapters)

  1. Front Matter

    Pages i-ix
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  2. Introduction

    • Tamás Turányi, Alison S. Tomlin
    Pages 1-4

  3. Reaction Kinetics Basics

    • Tamás Turányi, Alison S. Tomlin
    Pages 5-37

  4. Mechanism Construction and the Sources of Data

    • Tamás Turányi, Alison S. Tomlin
    Pages 39-52

  5. Reaction Pathway Analysis

    • Tamás Turányi, Alison S. Tomlin
    Pages 53-60

  6. Sensitivity and Uncertainty Analyses

    • Tamás Turányi, Alison S. Tomlin
    Pages 61-144

  7. Timescale Analysis

    • Tamás Turányi, Alison S. Tomlin
    Pages 145-182

  8. Reduction of Reaction Mechanisms

    • Tamás Turányi, Alison S. Tomlin
    Pages 183-312

  9. Similarity of Sensitivity Functions

    • Tamás Turányi, Alison S. Tomlin
    Pages 313-335

  10. Computer Codes for the Study of Complex Reaction Systems

    • Tamás Turányi, Alison S. Tomlin
    Pages 337-351

  11. Summary and Concluding Remarks

    • Tamás Turányi, Alison S. Tomlin
    Pages 353-357

  12. Back Matter

    Pages 359-363
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Keywords

About this book

Chemical processes in many fields of science and technology, including combustion, atmospheric chemistry, environmental modelling, process engineering, and systems biology, can be described by detailed reaction mechanisms consisting of numerous reaction steps. This book describes methods for the analysis of reaction mechanisms that are applicable in all these fields. Topics addressed include: how sensitivity and uncertainty analyses allow the calculation of the overall uncertainty of simulation results and the identification of the most important input parameters, the ways in which mechanisms can be reduced without losing important kinetic and dynamic detail, and the application of reduced models for more accurate engineering optimizations. This monograph is invaluable for researchers and engineers dealing with detailed reaction mechanisms, but is also useful for graduate students of related courses in chemistry, mechanical engineering, energy and environmental science and biology.

Authors and Affiliations

  • Institute of Chemistry, Eötvös University, Budapest, Hungary

    Tamás Turányi

  • School of Chemical and Process Engineering, University of Leeds, Leeds, United Kingdom

    Alison S. Tomlin

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