VAPOR-PRESSURE MEASUREMENTS ON NONAQUEOUS ELECTROLYTE-SOLUTIONS .6. SOME REMARKS ON INTEGRAL-EQUATIONS

被引:10
作者
KUNZ, W [1 ]
BARTHEL, J [1 ]
机构
[1] UNIV REGENSBURG,INST PHYS & THEORET CHEM,W-8400 REGENSBURG,GERMANY
关键词
combination HNC-MSA; combination HNC-PY; concentration-dependent permittivities; effective direct potentials; mean force potentials; self-consistency tests; Short-range interactions;
D O I
10.1007/BF00648140
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
Various combinations of the hypernetted chain (HNC) equation with the mean spherical approximation (MSA) and the Percus-Yevick (PY) equation are compared both for a well-known aqueous 2-2 electrolyte model solution and for real acetonitrile solutions. Belloni's self-consistency test shows that classical HNC calculations yield the best compressibility data for the two systems despite an apparently unrealistic g++ maximum in the case of the aqueous solution. Effective concentration-dependent potentials making use of the dependence of the solution permittivity on electrolyte concentration are used for HNC calculations of osmotic coefficients for methanol solutions. © 1990 Plenum Publishing Corporation.
引用
收藏
页码:339 / 352
页数:14
相关论文
共 32 条