Diffusion‐controlled reactions of ions in fluctuating ionic atmospheres
| Autor: | J. A. McCammon, S. Sridharan, J. B. Hubbard |
|---|---|
| Rok vydání: | 1989 |
| Předmět: |
chemistry.chemical_classification
Chemistry Ionic atmosphere General Physics and Astronomy Ionic bonding Non-equilibrium thermodynamics Ion Condensed Matter::Soft Condensed Matter Physics::Plasma Physics Chemical physics Brownian dynamics Physical chemistry Debye–Hückel theory Physical and Theoretical Chemistry Counterion Diffusion (business) |
| Zdroj: | The Journal of Chemical Physics. 90:237-240 |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.456525 |
| Popis: | 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–Huckel 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–Huckel results. Larger nonequilibrium effects are expected for multivalent electrolytes. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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