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A new three-particle-interaction model to predict the thermodynamic properties of different electrolytes
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Materials Process Science.
2007 (English)In: Journal of Chemical Thermodynamics, ISSN 0021-9614, E-ISSN 1096-3626, Vol. 39, no 4, 602-612 p.Article in journal (Refereed) Published
Abstract [en]

In this study, Guggenheim charging process, which involves the radial Boltzmann distribution, was introduced to develop a new predictive model with three parameters, ion-ion distance parameter, ion-solvent parameter, and solvation parameter. In this model, the ion-ion and ion-solvent molecule interaction are all included in the charging process, and it is independent of the temperature and solvent. This new model was applied to correlate the experimental data from literatures for 208 electrolytes aqueous solution at T = 298.15 K of which the concentration range is wide. The calculated results agreed well with the experimental ones for most electrolytes, especially for the prediction in high ionic strength. The estimation of solvation parameter S also gave that the solvation tendency for cations and anions follow a trend, which is in consistent with results published in literature. Investigations were also been made in calculations for electrolytes solutions at other temperatures and non-aqueous system, which proved this model was also feasible.

Place, publisher, year, edition, pages
2007. Vol. 39, no 4, 602-612 p.
Keyword [en]
activity coefficient, osmotic coefficient, thermodynamic model, electrolyte solution, solvation, bi-univalent compounds, ion interaction parameters, rare-earth perchlorates, local composition model, excess gibbs energy, activity-coefficients, aqueous-solutions, osmotic coefficients, isopiestic determination, evaluated activity
URN: urn:nbn:se:kth:diva-16587DOI: 10.1016/j.jct.2006.09.002ISI: 000246039200011ScopusID: 2-s2.0-33847091759OAI: diva2:334629
QC 20100525Available from: 2010-08-05 Created: 2010-08-05Bibliographically approved

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Seetharaman, Seshadri
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