Simonin, J.P. and Bernard, O. and Krebs, S. and Kunz, Werner (2006) Modelling of the thermodynamic properties of ionic solutions using a stepwise solvation-equilibrium model. FLUID PHASE EQUILIBRIA, 242 (2). pp. 176-188. ISSN 0378-3812, 1879-0224
Full text not available from this repository. (Request a copy)Abstract
The stepwise solvation-equilibrium model of Stokes and Robinson is used for a description of departures from ideality in ionic solutions. It is shown how to construct a thermodynamically consistent model including solvation effects. Simple expressions are derived for the mean ion solvation number. The model is applied to strong electrolyte solutions (pure water + salt and mixed aqueous solvent + salt) by taking the mean spherical approximation (MSA) for the long-range contribution to the Gibbs energy and a local composition model, the nonrandom two-liquid (NRTL) model, for the short-range contribution. (c) 2006 Elsevier B.V. All rights reserved.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MOLECULAR-DYNAMICS SIMULATION; MEAN SPHERICAL APPROXIMATION; DIOXANE-WATER MIXTURES; EXCESS GIBBS ENERGY; LOCAL COMPOSITION MODEL; AQUEOUS-SOLUTIONS; ELECTROMOTIVE-FORCE; HYDROCHLORIC-ACID; ELECTROLYTE SYSTEMS; PHASE-EQUILIBRIA; thermodynamics; ionic solution; electrolyte; hydration; solvation equilibria |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Werner Kunz |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 16 Feb 2021 05:53 |
| Last Modified: | 16 Feb 2021 05:53 |
| URI: | https://pred.uni-regensburg.de/id/eprint/34654 |
Actions (login required)
 |
View Item |
