2ND VIRIAL-COEFFICIENTS IN CLOSED FORM FOR A KIHARA (2M-M)-POTENTIAL

被引:8
作者
WITSCHEL, W
机构
[1] Department of Theoretical Chemistry, University of Ulm, Ulm
关键词
Kihara intermolecular potential; second virial coefficient;
D O I
10.1007/BF00500561
中图分类号
O414.1 [热力学];
学科分类号
摘要
In the literature second virial coefficients are calculated by series expansions or by direct numerical integration. For thermodynamic quantities such as thermodynamic functions, analytical expressions are wanted. This paper gives closed formulas for the second virial coefficient for a convex-body Kihara potential of the type U(ρ)= U0[(ρ0/ρ)2 m-2(ρ0/ρ)m], where m can be a rational number n>3. Furthermore, a number of related problems such as dielectric virial coefficients and Buckingham-Pople integrals are reduced to the same Laplace-transformation-type technique. © 1990 Plenum Publishing Corporation.
引用
收藏
页码:1075 / 1085
页数:11
相关论文
共 27 条
[1]  
Abramowitz M, 1965, HDB MATH FUNCTIONS
[2]  
[Anonymous], 1981, INTERMOLECULAR FORCE
[3]  
[Anonymous], 1980, VIRIAL COEFFICIENTS
[4]   THE STATISTICAL MECHANICS OF IMPERFECT POLAR GASES .1. 2ND VIRIAL COEFFICIENTS [J].
BUCKINGHAM, AD ;
POPLE, JA .
TRANSACTIONS OF THE FARADAY SOCIETY, 1955, 51 (09) :1173-1179
[5]  
BUCKINGHAM AD, 1984, WORLD QUANTUM CHEM
[6]   VIRIAL COEFFICIENTS AND INTERMOLECULAR FORCES OF HYDROCARBONS [J].
CONNOLLY, JF ;
KANDALIC, GA .
PHYSICS OF FLUIDS, 1960, 3 (03) :463-467
[7]   COMPARISON OF SIMPLE POTENTIAL-ENERGY FUNCTIONS [J].
DUFTY, AN ;
MATTHEWS, GP ;
SMITH, EB .
CHEMICAL PHYSICS LETTERS, 1974, 26 (01) :108-110
[8]  
Edalat M., 1980, International Journal of Thermophysics, V1, P177, DOI 10.1007/BF00504519
[9]  
EPSTEIN LF, 1958, J CHEM PHYS, V28, P874
[10]   TABLES OF SECOND VIRIAL COEFFICIENTS AND THEIR FIRST AND SECOND DERIVATIVES FOR STOCKMAYER (M, 6, 3) POTENTIAL FUNCTION [J].
GALLAGHER, JS ;
KLEIN, M .
JOURNAL OF RESEARCH OF THE NATIONAL BUREAU OF STANDARDS SECTION A-PHYSICS AND CHEMISTRY, 1971, A 75 (04) :337-+