Ebeling, W. and Krienke, H. (2023) Statistical theory of individual activity coefficients of electrolytes including multiple ionic charges*. CONDENSED MATTER PHYSICS, 26 (2): 23602. ISSN 1607-324X, 2224-9079
Full text not available from this repository. (Request a copy)Abstract
In previous work we developed a new statistical method for calculating the individual activities of ions including the association of ions. Here we study multi-particle electrostatic interactions connected within higher cluster integrals and identify the ionization constants of the mass action law of associating ion clusters. In contrast to Bjerrum and Fuoss, our concept of association is not based on spatial criteria, but instead on the strength of interaction measured in powers of the Bjerrum parameter (e2/D0kBTa; a is contact) and defined by asymptotic properties of the cluster integrals. For ion pair formation our mass action constant is the classical counterpart of Planck's famous hydrogenic partition function. As a rule, the new association constants are smaller than traditional expressions, e.g., by Fuoss and Kraus, in the interesting regions of interaction parameters about fifty percent. Several examples including CaCl2, MgCl2, Na2SO4, K2SO4, LaCl3 and a model of seawater are studied. For several associating electrolytes and seawater, reasonable agreement with experiments and Monte Carlo results is achieved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MEAN SPHERICAL APPROXIMATION; MASS-ACTION LAW; ASSOCIATING ELECTROLYTES; THERMODYNAMICS; EQUILIBRIUM; MODEL; MAGNESIUM; SEAWATER; SULFATE; SODIUM; statistical physics; thermodynamics; electrolytes; activity coefficients; ionic association; seawater |
| Subjects: | 500 Science > 530 Physics 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 12 Mar 2024 11:12 |
| Last Modified: | 12 Mar 2024 11:13 |
| URI: | https://pred.uni-regensburg.de/id/eprint/59738 |
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