Solvation in high-temperature electrolyte solutions. III. Integral equation calculations and interpretation of experimental data

Citation
Aa. Chialvo et al., Solvation in high-temperature electrolyte solutions. III. Integral equation calculations and interpretation of experimental data, J CHEM PHYS, 114(8), 2001, pp. 3575-3585
Citations number
45
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
114
Issue
8
Year of publication
2001
Pages
3575 - 3585
Database
ISI
SICI code
0021-9606(20010222)114:8<3575:SIHESI>2.0.ZU;2-S
Abstract
The solvation of infinitely dilute aqueous Cl-, Br-, I-, Cs+, K+, M+, and t he corresponding salts is analyzed by integral equation calculations along three near critical water isotherms according to the recently proposed mole cular-based formalism which connects the solvent environment around individ ual ionic species with their macroscopic solvation behavior. Special emphas is is placed on the temperature dependence of some solvation-related macros copic properties that are identified as potential candidates for the develo pment of improved engineering correlations. Formal and integral equation ca lculations are then used to interpret recent experimental data, and some re levant theoretical implications regarding the modeling of high-temperature aqueous electrolyte solutions are discussed. (C) 2001 American Institute of Physics.