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

被引:17
作者
Chialvo, AA [1 ]
Kusalik, PG
Cummings, PT
Simonson, JM
机构
[1] Oak Ridge Natl Lab, Div Chem & Analyt Sci, High Temp Aqueous Chem Grp, Oak Ridge, TN 37831 USA
[2] Univ Tennessee, Dept Chem Engn, Knoxville, TN 37996 USA
[3] Dalhousie Univ, Dept Chem, Halifax, NS B3H 4J3, Canada
[4] Oak Ridge Natl Lab, Div Chem Technol, Oak Ridge, TN 37831 USA
[5] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA
[6] Univ Tennessee, Dept Comp Sci, Knoxville, TN 37996 USA
关键词
D O I
10.1063/1.1343875
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The solvation of infinitely dilute aqueous Cl-, Br-, I-, Cs+, K+, M+, and the corresponding salts is analyzed by integral equation calculations along three near critical water isotherms according to the recently proposed molecular-based formalism which connects the solvent environment around individual ionic species with their macroscopic solvation behavior. Special emphasis is placed on the temperature dependence of some solvation-related macroscopic properties that are identified as potential candidates for the development of improved engineering correlations. Formal and integral equation calculations are then used to interpret recent experimental data, and some relevant theoretical implications regarding the modeling of high-temperature aqueous electrolyte solutions are discussed. (C) 2001 American Institute of Physics.
引用
收藏
页码:3575 / 3585
页数:11
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