Ebeling, Werner and Feistel, Rainer and Krienke, Hartmut (2022) Statistical theory of individual ionic activity coefficients of electrolytes with multiple - Charged ions including seawater. JOURNAL OF MOLECULAR LIQUIDS, 346: 117814. ISSN 0167-7322, 1873-3166
Full text not available from this repository. (Request a copy)Abstract
Based on methods of statistical mechanics for the calculation of individual activity coefficients for electrolytic solutions we present analytical nonlinear extensions of the standard Debye - Huckel and Mean-Spherical approximations. These extensions, so - called DHX and MSX approximations, respectively, generalize the exact results from cluster theory and are given for the model of charged hard spheres with non - additive contact distances. The flexibility of the fully analytical model which is able to reflect e.g. cationic solvation effects and allows the treatment of ionic activities in a 6-component seawater model. Denoting by e the elementary charge, DHX and MSX include in the third order, e(6), the Poirier effects of asymmetry of ion charges, and in the fourth order, e(8), as well as in higher orders, weak association effects which are relevant for electrolytes with multivalent ions. Following the Justice method, weak association effects are treated in a semi - chemical description avoiding mass - action laws. An extrapolation of the theory of individual activities to a description of individual conductivities is proposed. (C) 2021 Published by Elsevier B.V.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MEAN SPHERICAL APPROXIMATION; THERMODYNAMIC PROPERTIES; CONDUCTANCE; CONDUCTIVITY; EQUILIBRIUM; MODEL; Individual ionic activity; Extended Debye - Huckel theory; Extended Mean - Spherical approximation; Individual conductivity; Simplified seawater model; Seawater ionic activity; Seawater ionic conductivity |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Alumni or Retired Professors |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 26 Jan 2024 09:34 |
| Last Modified: | 26 Jan 2024 09:34 |
| URI: | https://pred.uni-regensburg.de/id/eprint/57545 |
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