Simonin, Jean-Pierre and Krebs, Stephane and Kunz, Werner (2006) Inclusion of ionic hydration and association in the MSA-NRTL model for a description of the thermodynamic properties of aqueous ionic solutions: Application to solutions of associating acids. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 45 (12). pp. 4345-4354. ISSN 0888-5885,
Full text not available from this repository. (Request a copy)Abstract
Ionic hydration and association are included in the MSA-NRTL model for a description of the thermodynamic properties of aqueous ionic solutions. Hydration effects are introduced using the classic model of Robinson and Stokes, in which hydration numbers are independent of salt concentration. Association is accounted for through a mass action law. New compact conversion formulas are given expressing the individual ionic, and mean salt, activity coefficients at the Lewis-Randall level. The model is applied to the representation of strong and associating aqueous electrolytes at 25 degrees C. In the case of solutions of associating acids, its ability to also describe the speciation of the acid is examined.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MOLECULAR-DYNAMICS SIMULATION; MEAN SPHERICAL APPROXIMATION; EXCESS GIBBS ENERGY; LOCAL COMPOSITION MODEL; SULFURIC-ACID; ELECTROLYTE-SOLUTIONS; OSMOTIC COEFFICIENTS; PRIMITIVE MODEL; LIQUID MIXTURES; BISULFATE ION; |
| 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: | 11 Feb 2021 13:26 |
| Last Modified: | 11 Feb 2021 13:26 |
| URI: | https://pred.uni-regensburg.de/id/eprint/34450 |
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