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Simulation Studies of Recombination Kinetics and Spin Dynamics in Radiation Chemistry

  • Book
  • © 2014

Overview

Authors:
  1. Amit Agarwal

    1. Reactor Chemistry and Materials, National Nuclear Laboratory, Oxon, United Kingdom

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  • Nominated as an outstanding Ph.D. thesis by the University Of Oxford, UK
  • Includes an introduction to radiation chemistry which is suitable for newcomers to the field
  • Describes new simulation techniques to model spur kinetics with an explicit treatment for spin dynamics
  • Includes supplementary material: sn.pub/extras

Part of the book series: Springer Theses (Springer Theses)

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Table of contents (9 chapters)

  1. Front Matter

    Pages i-xxv
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  2. Introduction to Radiation Chemistry

    • Amit Agarwal
    Pages 1-21

  3. Theory of Scavenging and Recombination Kinetics

    • Amit Agarwal
    Pages 23-59

  4. Spin Dynamics

    • Amit Agarwal
    Pages 61-89

  5. Simulation Techniques and Development

    • Amit Agarwal
    Pages 91-133

  6. Photodissociation of Hydrogen Peroxide Solution: Singlet or Triplet Precursor?

    • Amit Agarwal
    Pages 135-179

  7. Reactive Products: New IRT Algorithm

    • Amit Agarwal
    Pages 181-199

  8. Correlation Between Scavenging and Recombination Times for Ions in Low Permittivity Solvents

    • Amit Agarwal
    Pages 201-232

  9. Correlation Between Spin Entanglement and the Spin Relaxation Time

    • Amit Agarwal
    Pages 233-272

  10. Extending the IRT for Micelles

    • Amit Agarwal
    Pages 273-304

  11. Back Matter

    Pages 305-339
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Keywords

About this book

Amit Agarwal’s thesis reports a substantial contribution to the microscopic simulation of radiation chemical reactions. In his research Agarwal extends existing models to further understand scavenging, spin and relaxation effects. This research has advanced the development of both the Monte Carlo Random Flights and the Independent Reaction Times (IRT) simulation tools. Particular highlights are the extension of these tools to include both the spin-exchange interaction and spin relaxation, both of which are influential in radiolytic systems where many reactions are spin-controlled. In addition, the study has led to the discovery of a novel correlation of the scavenging rate with the recombination time in low permittivity solvents. This finding goes against existing assumptions underlying the theory of diffusion kinetics while still being accommodated in the IRT method which demonstrates the power of this unconventional approach. The work in this thesis can be applied to a wide number of fields including the nuclear industry, medicine, food treatment, polymer curing, the preparation of nano-colloids, power generation and waste disposal.

Authors and Affiliations

  • Reactor Chemistry and Materials, National Nuclear Laboratory, Oxon, United Kingdom

    Amit Agarwal

Bibliographic Information

  • Book Title: Simulation Studies of Recombination Kinetics and Spin Dynamics in Radiation Chemistry

  • Authors: Amit Agarwal

  • Series Title: Springer Theses

  • DOI: https://doi.org/10.1007/978-3-319-06272-3

  • Publisher: Springer Cham

  • eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)

  • Copyright Information: Springer International Publishing Switzerland 2014

  • Hardcover ISBN: 978-3-319-06271-6Published: 13 May 2014

  • Softcover ISBN: 978-3-319-38338-5Published: 03 September 2016

  • eBook ISBN: 978-3-319-06272-3Published: 23 April 2014

  • Series ISSN: 2190-5053

  • Series E-ISSN: 2190-5061

  • Edition Number: 1

  • Number of Pages: XXV, 339

  • Number of Illustrations: 28 b/w illustrations, 107 illustrations in colour

  • Topics: Theoretical and Computational Chemistry, Physical Chemistry, Nuclear Chemistry

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