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Correlation Between Spin Entanglement and the Spin Relaxation Time

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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

The track structure created by radiolysis depends on many factors such as the type of ionising radiation used and the initial kinetic energy of this radiation. As such radiolysis gives rise to a complicated spatial arrangement. During the passage of the radiation several radical ion pairs are born in the same spatial region, which can either undergo geminate or cross-recombination. It is considered that all geminate pairs are initially singlet-correlated (optical approximation), although the production of triplet ion-pairs is also possible through low-energy electron ionisation.

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Notes

  1. 1.

    The acronym ERP is used in this chapter to avoid any confusion with the acronym EPR (electron paramagnetic resonance).

  2. 2.

    This formula assumes that fluorescence occurs almost instantaneously and can therefore only be used in the tail of the recombination probability distribution.

  3. 3.

    In the semiclassical approximation the electron spin on each radical is treated quantum mechanically, whilst the nuclear spins are treated classically. The unpaired electron precesses about the static field and the resultant of the nuclear spins.

  4. 4.

    This assumption will be utilised to simplify the computational model.

  5. 5.

    This method does have the disadvantage that the coherences between the triplet spin states are not retained.

  6. 6.

    In this simulation spin relaxation was modelled to a uniform distribution.

  7. 7.

    It is important to note that the IRT algorithm does overestimate cross-recombination when the spur structure is in a linear arrangement.

  8. 8.

    Experimental and simulated TR MFE curve shown were extracted from reference [34].

  9. 9.

    Experimental and simulated TR MFE curve shown were extracted from reference [34].

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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). Correlation Between Spin Entanglement and the Spin Relaxation Time. 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_8

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