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Reactive Products: New IRT Algorithm

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Simulation Studies of Recombination Kinetics and Spin Dynamics in Radiation Chemistry

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

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Abstract

Reactive products play an important part in radiation chemistry and pose a challenging problem in their theoretical modelling within the IRT framework. This is because in IRT the diffusive trajectories are not tracked and as result the distance of the newly formed product to the remaining reactants is not known. This information is needed in the IRT in order to generate a new reaction time from a suitable marginal distribution function.

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Notes

  1. 1.

    Results are not reported here for the P recombination yield.

  2. 2.

    This spatial configuration is more realistic for H\(^{+}\), OH\(^{-}\) and e\(^{-}_{\text {aq}}\) following the photolysis of water.

  3. 3.

    Derivation shown in Sect. A.1 of the Appendix.

  4. 4.

    Using the free diffusion approach.

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Authors and Affiliations

  1. Reactor Chemistry and Materials, National Nuclear Laboratory, Oxon, UK

    Amit Agarwal

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  1. Amit Agarwal
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Correspondence to Amit Agarwal .

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Agarwal, A. (2014). Reactive Products: New IRT Algorithm. In: Simulation Studies of Recombination Kinetics and Spin Dynamics in Radiation Chemistry. Springer Theses. Springer, Cham. https://doi.org/10.1007/978-3-319-06272-3_6

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