MONTE-CARLO CALCULATION OF THE FREE-ENERGY DIFFERENCE BETWEEN HARD AND SOFT CORE DIATOMIC LIQUIDS

被引:24
作者
JACUCCI, G
QUIRKE, N
机构
[1] CENS,RECH MET PHYS SECT,F-91190 GIF SUR YVETTE,FRANCE
[2] RUHR UNIV BOCHUM,INST THERMO & FLUID DYNAM,D-4630 BOCHUM,FED REP GER
[3] LIBERA UNIV TRENTO,DEPT FIS,I-38050 POVO,ITALY
关键词
D O I
10.1080/00268978000102081
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
引用
收藏
页码:1005 / 1009
页数:5
相关论文
共 11 条
[1]   EFFICIENT ESTIMATION OF FREE-ENERGY DIFFERENCES FROM MONTE-CARLO DATA [J].
BENNETT, CH .
JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 22 (02) :245-268
[2]   EQUATION OF STATE FOR HARD DUMBBELLS [J].
BOUBLIK, T ;
NEZBEDA, I .
CHEMICAL PHYSICS LETTERS, 1977, 46 (02) :315-316
[3]   PROPERTIES OF LIQUID-NITROGEN .4. COMPUTER-SIMULATION [J].
CHEUNG, PSY ;
POWLES, JG .
MOLECULAR PHYSICS, 1975, 30 (03) :921-949
[4]  
FISCHER JA, UNPUBLISHED
[5]   PERTURBATION-THEORY WITH A HARD DUMBBELL REFERENCE SYSTEM .1. APPLICATION TO LIQUID-NITROGEN [J].
KOHLER, F ;
QUIRKE, N ;
PERRAM, JW .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (10) :4128-4131
[6]   EXAMINATION OF ADEQUACY OF 12-6-POTENTIAL FOR LIQUID ARGON BY MEANS OF MONTE CARLO CALCULATIONS [J].
MCDONALD, IR ;
SINGER, K .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (06) :2308-&
[7]   MACHINE CALCULATION OF THERMODYNAMIC PROPERTIES OF A SIMPLE FLUID AT SUPERCRITICAL TEMPERATURES [J].
MCDONALD, IR ;
SINGER, K .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (11) :4766-&
[8]  
MCDONALD IR, 1967, DISCUSS FARADAY SOC, V43, P40
[9]   CALCULATION OF THE ENTROPY OF LIQUID CHLORINE AND BROMINE BY COMPUTER-SIMULATION [J].
ROMANO, S ;
SINGER, K .
MOLECULAR PHYSICS, 1979, 37 (06) :1765-1772
[10]  
TILDESLEY DJ, MOL PHYS