INTEGRAL-EQUATION APPROXIMATIONS FOR DIPOLAR FLUIDS

被引:105
作者
PATEY, GN [1 ]
LEVESQUE, D [1 ]
WEIS, JJ [1 ]
机构
[1] UNIV PARIS 11,PHYS THEOR & HAUTES ENERGIES LAB,F-91405 ORSAY,FRANCE
关键词
D O I
10.1080/00268977900101621
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 linearized and quadratic hypernetted-chain approximations are solved for fluids of dipolar hard spheres and Stockmayer particles. The density and dipole moment dependence of the pair correlation function, dielectric constant and some thermodynamic properties is investigated. Comparisons with new Monte Carlo results show that, at low density, the linearized theory gives a very poor description of the pair correlations. The quadratic approximation, however, is found to be excellent for all densities and dipole moments considered. © 1979 Taylor & Francis Group, LLC.
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页码:219 / 239
页数:21
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