A GENERAL-SOLUTION OF THE MOLECULAR ORNSTEIN-ZERNIKE EQUATION FOR SPHERES WITH ANISOTROPIC ADHESION AND ELECTRIC MULTIPOLES

被引:29
作者
BLUM, L
CUMMINGS, PT
BRATKO, D
机构
[1] UNIV VIRGINIA, DEPT CHEM ENGN, CHARLOTTESVILLE, VA 22903 USA
[2] EDVARD KARDELJ UNIV, FAC NAT SCI & TECHNOL, DEPT CHEM, YU-61000 LJUBLJANA, YUGOSLAVIA
关键词
D O I
10.1063/1.457832
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 the analytic solution of the molecular Ornstein-Zernike equation for a very general closure in which the direct correlation function is of the form suggested by the mean-spherical approximation for arbitrary multipolar interactions and the total correlation function contains terms that arise in the Percus-Yevick approximation for spheres with anisotropic surface adhesion. In addition to generalizing several earlier analyses of special cases of this closure, the solution presented here contains new simplifying insights that reduce the complexity of the resulting algebraic equations. A special case of the analysis is described to illustrate the method of solution. © 1990 American Institute of Physics J. Chem. Phys. 92 (6), 15 March 1990.
引用
收藏
页码:3741 / 3747
页数:7
相关论文
共 37 条
[1]   EXACT SOLUTION OF MEAN SPHERICAL MODEL FOR STRONG ELECTROLYTES IN POLAR-SOLVENTS [J].
ADELMAN, SA ;
DEUTCH, JM .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (10) :3935-3949
[2]   ORNSTEIN-ZERNIKE RELATION FOR A DISORDERED FLUID [J].
BAXTER, RJ .
AUSTRALIAN JOURNAL OF PHYSICS, 1968, 21 (05) :563-&
[3]   PERCUS-YEVICK EQUATION FOR HARD SPHERES WITH SURFACE ADHESION [J].
BAXTER, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (06) :2770-&
[4]   THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS [J].
BERENDSEN, HJC ;
GRIGERA, JR ;
STRAATSMA, TP .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24) :6269-6271
[5]  
Berendsen HJC, 1981, INTERMOLECULAR FORCE, P331, DOI [DOI 10.1007/978-94-015-7658-1_21, 10.1007/978-94-015-7658-1_21]
[7]   INVARIANT EXPANSION FOR 2-BODY CORRELATIONS - THERMODYNAMIC FUNCTIONS, SCATTERING, AND ORNSTEIN-ZERNIKE EQUATION [J].
BLUM, L ;
TORRUELLA, AJ .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (01) :303-+
[8]   SOLUTION OF A MODEL FOR SOLVENT-ELECTROLYTE INTERACTIONS IN MEAN SPHERICAL APPROXIMATION [J].
BLUM, L .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (05) :2129-2133
[9]   MEAN SPHERICAL MODEL FOR A MIXTURE OF CHARGED SPHERES AND HARD DIPOLES [J].
BLUM, L .
CHEMICAL PHYSICS LETTERS, 1974, 26 (02) :200-202
[10]   INVARIANT EXPANSION .3. GENERAL SOLUTION OF MEAN SPHERICAL MODEL FOR NEUTRAL SPHERES WITH ELECTROSTATIC INTERACTIONS [J].
BLUM, L .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (08) :3295-3303