SHAPE EFFECTS IN 2-DIMENSIONAL HARD MOLECULE FLUIDS

被引:12
作者
GOULDING, CW
RIGBY, M
机构
[1] Department of Chemistry, King’s College, Strand, London
关键词
D O I
10.1080/00268979200100451
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
Two-dimensional hard molecule fluids, comprising diatomic and triatomic fused hard discs, have been studied by Monte Carlo simulation, and the effects of changes in molecular shape on the equation of state investigated. The virial coefficients, B2-B5, have also been calculated for all the molecules. Various approaches to the equations of state for these systems have been considered. A modified form of scaled particle theory appears to be the most generally successful.
引用
收藏
页码:623 / 631
页数:9
相关论文
共 12 条
[1]  
ALLEN MP, 1987, COMPUTER SIMULATION, pCH4
[2]   SERIES REPRESENTATION OF THE EQUATION OF STATE FOR HARD PARTICLE FLUIDS [J].
BARBOY, B ;
GELBART, WM .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (07) :3053-3062
[3]  
BOUBLIK T, 1988, MOL PHYS, V63, P685, DOI 10.1080/00268978800100491
[5]   MONTE-CARLO SIMULATION OF TWO-DIMENSIONAL DIMERS BETWEEN HARD WALLS BULK EQUATION OF STATE AND SITE-DENSITY PROFILES [J].
HONNELL, KG ;
HALL, CK .
MOLECULAR PHYSICS, 1988, 65 (06) :1281-1300
[6]   FLUIDS OF GENERAL HARD TRIATOMIC-MOLECULES .1. VIRIAL-COEFFICIENTS [J].
NEZBEDA, I ;
LABIK, S .
MOLECULAR PHYSICS, 1982, 47 (05) :1087-1096
[7]   5TH + 6TH VIRIAL COEFFICIENTS FOR HARD SPHERES + HARD DISKS [J].
REE, FH ;
HOOVER, WG .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (04) :939-&
[8]   VIRIAL EXPANSION FOR HARD NONSPHERICAL MOLECULES [J].
RIGBY, M .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (03) :1021-&
[9]   HARD GAUSSIAN OVERLAP FLUIDS [J].
RIGBY, M .
MOLECULAR PHYSICS, 1989, 68 (03) :687-697
[10]   THE 2ND VIRIAL-COEFFICIENT OF PLANAR DUMB-BELLS [J].
ROWLINSON, JS ;
TALBOT, J ;
TILDESLEY, DJ .
MOLECULAR PHYSICS, 1985, 54 (05) :1065-1071