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Modelling of the thermodynamic properties of ionic solutions using a stepwise solvation-equilibrium model
Simonin, Jean-Pierre, Bernard, Olivier, Krebs, Stéphane und Kunz, Werner
(2006)
Modelling of the thermodynamic properties of ionic solutions using a stepwise solvation-equilibrium model.
Fluid Phase Equilibria 242 (2), S. 176-188.
Veröffentlichungsdatum dieses Volltextes: 05 Aug 2009 13:21
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.18
Zusammenfassung
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 + ...
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.
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Details
| Dokumentenart | Artikel | ||||
| Titel eines Journals oder einer Zeitschrift | Fluid Phase Equilibria | ||||
| Verlag: | ELSEVIER SCIENCE BV | ||||
|---|---|---|---|---|---|
| Ort der Veröffentlichung: | AMSTERDAM | ||||
| Band: | 242 | ||||
| Nummer des Zeitschriftenheftes oder des Kapitels: | 2 | ||||
| Seitenbereich: | S. 176-188 | ||||
| Datum | 25 April 2006 | ||||
| Institutionen | Chemie und Pharmazie > Institut für Physikalische und Theoretische Chemie > Lehrstuhl für Chemie IV - Physikalische Chemie (Solution Chemistry) > Prof. Dr. Werner Kunz | ||||
| Identifikationsnummer |
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| Stichwörter / 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 | ||||
| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 540 Chemie 500 Naturwissenschaften und Mathematik > 540 Chemie | ||||
| Status | Veröffentlicht | ||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||
| An der Universität Regensburg entstanden | Unbekannt / Keine Angabe | ||||
| Dokumenten-ID | 18 |
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