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Dielectric behavior of polar-polarizable solvents in generic mean spherical approximations: The Kirkwood g(K) factor
被引:9
作者:
Blum, L
Fawcett, WR
机构:
[1] UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616
[2] UNIV PUERTO RICO,DEPT PHYS,RIO PIEDRAS,PR 00931
关键词:
D O I:
10.1021/jp960532v
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 dielectric properties of polar solvents are considered within the context of generic mean spherical approximations. Given the molecular diameter in a spherical representation, the dipole moment, and molecular polarizability, the static permittivity of such a solvent is estimated on the basis of the Wertheim polarization parameter and a stickiness parameter which accounts for other electrostatic features of the bull: system and nonsphericity of the actual solvent molecules. The stickiness parameter is related to the magnitude of dipole-dipole interactions for a series of solvents with the same polar group. This model is also used to estimate the Kirkwood structure factor. The values obtained are in excellent agreement with structural features of these systems obtained from experiment.
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页码:10423 / 10427
页数:5
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