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Unimolecular diffusion-mediated reactions with a nonrandom time-modulated absorbing barrierA diffusion-reaction model with time-dependent reactivity is formulated and applied to unimolecular reactions. The model is solved exactly numerically and approximately analytically for the unreacted fraction as a function of time. It is shown that the approximate analytical solution is valid even when the system is far from equilibrium, and when the reactivity probability is more complicated than a square-wave function of time. A discussion is also given of an approach to problems of this type using a stochastically fluctuating reactivity, and the first-passage time for a particular example is derived.
Document ID
19860044279
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Bashford, D.
(Tufts Univ. Boston, MA, United States)
Weaver, D. L.
(Tufts University Medford, MA, United States)
Date Acquired
August 12, 2013
Publication Date
March 1, 1986
Publication Information
Publication: Journal of Chemical Physics
Volume: 84
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
86A29017
Funding Number(s)
CONTRACT_GRANT: NIH-GM-29553
CONTRACT_GRANT: NCA2-OR-785-201
Distribution Limits
Public
Copyright
Other

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