Diffusion-controlled reactions of ions in fluctuating ionic atmospheres
Sridharan, S. ; McCammon, J. A. ; Hubbard, J. B.
College Park, Md. : American Institute of Physics (AIP)
Published 1989
College Park, Md. : American Institute of Physics (AIP)
Published 1989
| ISSN: |
1089-7690
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| Source: |
AIP Digital Archive
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| Topics: |
Physics
Chemistry and Pharmacology
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| Notes: |
The effects of co- and counterion dynamics on the rates of diffusion controlled reactions are investigated. A model system consisting of univalent soft spheres in a uniform dielectric medium is simulated by the Brownian dynamics method. This system is used to study the effects of ionic atmosphere dynamics on the rate of recombination of an ion pair. The results show a small (2%) increase in the rate compared to the traditional Debye–Hückel description. A parallel calculation where the atmospheric ions are frozen in equilibrium configurations around the target (unperturbed by the incoming reactant) yields results which are very close to the Debye–Hückel results. Larger nonequilibrium effects are expected for multivalent electrolytes.
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| Type of Medium: |
Electronic Resource
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| URL: |