ON THE MEAN SPHERICAL APPROXIMATION FOR HARD IONS AND DIPOLES

被引:62
作者
BLUM, L
VERICAT, F
FAWCETT, WR
机构
[1] INST FIS LIQUIDOS & SISTEMAS BIOL,RA-1900 LA PLATA,ARGENTINA
[2] NATL UNIV LA PLATA,FAC INGN,DEPT FISICOMATEMAT,RA-1900 LA PLATA,ARGENTINA
[3] UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
关键词
D O I
10.1063/1.462001
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 analytical solution of the mean spherical approximation for the case of equal size ions and different size solvent is reexamined using only two parameters: a polarization parameter-lambda and a screening parameter-GAMMA. We show that the ion dipole cross energy parameter, which in previous work was obtained solving a cubic equation, can be obtained from a linear algebraic equation. Therefore, the inverse problem of calculating the reduced charge parameter d0 and the reduced dipole parameter d2 from lambda and GAMMA is reduced to a system of two equations: a cubic for d0, and a linear for d2. Simpler expressions for the thermodynamic parameters are also obtained.
引用
收藏
页码:3039 / 3044
页数:6
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