ON THE SOLUBILITY OF AQUEOUS-ELECTROLYTES

被引:17
作者
PERKYNS, J [1 ]
PETTITT, BM [1 ]
机构
[1] UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77204
关键词
D O I
10.1021/j100070a034
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 existence of a high-density phase separation for molecular and continuum solvent models of ion-water solutions are demonstrated using the DRISM/HNC theory. The molecular lever effects which influence solubility and the inability of continuum models to exhibit some of these effects are discussed. The general trends in experimental alkali halide solubilities are found to be consistent with the present model calculations. The dependence of the phase separation on ion size is found to be primarily entropic in nature.
引用
收藏
页码:5147 / 5151
页数:5
相关论文
共 33 条
[1]  
[Anonymous], 1981, IONIC HYDRATION CHEM
[2]  
[Anonymous], 2013, THEORY SIMPLE LIQUID
[3]   PERCUS-YEVICK EQUATION FOR HARD SPHERES WITH SURFACE ADHESION [J].
BAXTER, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (06) :2770-&
[4]   STUDIES OF DISPERSION OF COMPLEX DI-ELECTRICITY CONSTANTS OF AQUEOUS AND NON-AQUEOUS ELECTROLYTE SOLUTIONS .2. MICROWAVE MEASUREMENTS OF DIELECTRICITY CONSTANTS AND RELAXATION-TIME IN SOLUTIONS OF ALKALI NITRATES AND CHLORIDE IN POLAR-SOLVENTS [J].
BEHRET, H ;
SCHMITHALS, F ;
BARTHEL, J .
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-FRANKFURT, 1975, 96 (1-3) :73-88
[5]   INABILITY OF THE HYPERNETTED-CHAIN INTEGRAL-EQUATION TO EXHIBIT A SPINODAL LINE [J].
BELLONI, L .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (10) :8080-8095
[6]   THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS [J].
BERENDSEN, HJC ;
GRIGERA, JR ;
STRAATSMA, TP .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24) :6269-6271
[7]   CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].
BROOKS, BR ;
BRUCCOLERI, RE ;
OLAFSON, BD ;
STATES, DJ ;
SWAMINATHAN, S ;
KARPLUS, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217
[8]  
BURGESS J, 1988, IONS SOLUTION BASIC
[9]   PHASE-STABILITY OF DENSE CHARGED HARD-SPHERE FLUID MIXTURES [J].
CACCAMO, C ;
MALESCIO, G .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (02) :1091-1098
[10]   OPTIMIZED CLUSTER EXPANSIONS FOR CLASSICAL FLUIDS .2. THEORY OF MOLECULAR LIQUIDS [J].
CHANDLER, D ;
ANDERSEN, HC .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05) :1930-+