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On the approximation of independent pairs in diffusion kinetics: correlation of distances in a three-body system

Abstract:
This study investigates the problem of diffusion kinetics in a three-body system, motivated by the theory of radiation chemical kinetics. The backward diffusion equation for the joint density of the distances is formulated, and an explicit formula for the infinitesimal covariance of two diffusing distances is derived. The Clifford-Green theorem is used to show how the infinitesimal covariance of two distances is linked to the covariance of the corresponding two squared distances as time evolves. In addition, computer simulations for the problem are presented, which indicate that hitting probabilities are also correlated. While the results indicate that more work is needed before a usable correction to the independence approximation is possible, clear progress has been made.
Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1039/c7cp06929d

Authors


More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
More by this author
Institution:
University of Oxford
Department:
CHEMISTRY
Sub department:
Chemistry
Oxford college:
St Anne's College
Role:
Author
ORCID:
0000-0002-2912-4731


Publisher:
Royal Society of Chemistry
Journal:
Physical Chemistry Chemical Physics More from this journal
Volume:
20
Issue:
4
Pages:
2872-2879
Place of publication:
England
Publication date:
2018-01-12
Acceptance date:
2017-12-19
DOI:
EISSN:
1463-9084
ISSN:
1463-9076
Pmid:
29327022


Language:
English
Keywords:
Pubs id:
817302
Local pid:
pubs:817302
Deposit date:
2021-02-25

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