THE 3RD DIELECTRIC AND PRESSURE VIRIAL-COEFFICIENTS OF DIPOLAR HARD-SPHERE FLUIDS .2. NUMERICAL RESULTS

被引:25
作者
JOSLIN, C [1 ]
GOLDMAN, S [1 ]
机构
[1] UNIV GUELPH,GUELPH WATERLOO CTR GRAD WORK CHEM,GUELPH N1G 2W1,ONTARIO,CANADA
基金
加拿大自然科学与工程研究理事会;
关键词
D O I
10.1080/00268979300101401
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
We present numerical computations of the third dielectric virial coefficient C(epsilon)* and the third pressure virial coefficient C(p)* of a fluid of hard sphere dipoles, over the range 0 < mu*2 < 4. The requisite 9-dimensional quadratures are performed using an adaptive Monte Carlo algorithm. We also compute terms in the high temperature expansions of the virial coefficients up to order mu*20 (C(epsilon)*) and mu*24 (C(p)*). Our work complements and extends earlier investigations by Joslin and by Rushbrooke and Shrubsall. Our results agree well with available experimental data, especially considering the relative crudeness of the molecular model. We also compute the critical point of the fluid.
引用
收藏
页码:499 / 514
页数:16
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