| Autor: |
Chialvo, A. A., Simonson, J. M. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 5/1/2003, Vol. 118 Issue 17, p7921, 9p, 1 Chart, 12 Graphs |
| Abstrakt: |
An extensive molecular-based study of ion-pair formation in near-critical dilute aqueous NaCl solutions is performed along three near- (super- and sub-) critical isotherms and from liquidlike to steamlike densities. The study encompasses the determination of the ion-pair association constant via potential of mean force calculations. The main goal is to find answers to some relevant questions regarding the thermodynamic and corresponding microscopic behavior of the ion-pair formation at steamlike densities, where experimental data are extremely difficult to obtain accurately. A direct comparison is made between simulation, theoretical developments, and experiment to aid the interpretation of experimental data and their macroscopic modeling. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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