Woelki, Stefan and Kohler, Hans-Helmut and Krienke, Hartmut (2008) A singlet reference interation site model theory for solid/liquid interfaces part II: Electrical double layers. JOURNAL OF PHYSICAL CHEMISTRY B, 112 (11). pp. 3365-3374. ISSN 1520-6106,
Full text not available from this repository. (Request a copy)Abstract
The previously established singlet reference interaction site model (SRISM) theory for the calculation of the fluid structure in the vicinity of a plane impenetrable interface is renormalized for the application to electrical double layers. In combination with the HNC and KH closures, the equations are solved numerically for a IM electrolyte solution adjacent to a charged wall with varying surface charge densities. The wall-solvent and wall-ion density distributions as well as the profiles of the electrical field and the electrical potential are compared to computer simulation results. Reasonable agreement is obtained.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ELECTROLYTE SOLUTION INTERFACE; MOLECULAR-SOLVENT MODEL; ORNSTEIN-ZERNIKE EQUATION; METAL-LIQUID INTERFACE; INTEGRAL-EQUATION; CHARGED SURFACES; RISM THEORY; SYMMETRY REDUCTION; LENNARD-JONES; HARD-SPHERE; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Analytische Chemie, Chemo- und Biosensorik Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 05 Nov 2020 10:43 |
| Last Modified: | 05 Nov 2020 10:43 |
| URI: | https://pred.uni-regensburg.de/id/eprint/31173 |
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