TAIL CORRECTIONS TO THE SURFACE-TENSION OF A LENNARD-JONES LIQUID-VAPOR INTERFACE

被引:155
作者
BLOKHUIS, EM
BEDEAUX, D
HOLCOMB, CD
ZOLLWEG, JA
机构
[1] GORLAEUS LABS,DEPT PHYS & MACROMOLEC CHEM,2300 RA LEIDEN,NETHERLANDS
[2] NATL INST STAND & TECHNOL,DIV THERMOPHYS,BOULDER,CO 80303
[3] CORNELL UNIV,SCH CHEM ENGN,ITHACA,NY 14853
基金
美国国家科学基金会;
关键词
D O I
10.1080/00268979500101371
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
The Kirkwood-Buff formula for surface tension is used to derive an expression for the tail correction to the surface tension. This expression reduces to the expression for the tail correction, given by Chapela, G. A., Saville, G., Thompson, G., and Rowlinson, J. S. (1977, J. chem. Soc. Faraday Trans II, 8, 1133), when the interface is sharp but differs from it near the critical point. The difference appears to be the result of a mistake in the algebra by Chapela et al. In an example we show that, for a comparison with the surface tension of real fluids, both the tail correction to the surface tension, and the influence of the cut-off radius on the phase diagram are important.
引用
收藏
页码:665 / 669
页数:5
相关论文
共 8 条
[1]  
CHAPELA GA, 1977, J CHEM SOC F2, V8, P1133
[2]  
Gradshteyn I.S., 1965, TABLES OF INTEGRALS
[3]   MOLECULAR-DYNAMICS STUDY OF THE CURVATURE CORRECTION TO THE SURFACE-TENSION [J].
HAYE, MJ ;
BRUIN, C .
JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (01) :556-559
[4]   A CRITICAL-STUDY OF THE SIMULATION OF THE LIQUID VAPOR INTERFACE OF A LENNARD-JONES FLUID [J].
HOLCOMB, CD ;
CLANCY, P ;
ZOLLWEG, JA .
MOLECULAR PHYSICS, 1993, 78 (02) :437-459
[5]   A CRITICAL-STUDY OF SIMULATIONS OF THE LENNARD-JONES LIQUID-VAPOR INTERFACE [J].
HOLCOMB, CD ;
CLANCY, P ;
THOMPSON, SM ;
ZOLLWEG, JA .
FLUID PHASE EQUILIBRIA, 1992, 75 :185-196
[6]   THE STATISTICAL MECHANICAL THEORY OF SURFACE TENSION [J].
KIRKWOOD, JG ;
BUFF, FP .
JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (03) :338-343
[7]   A MOLECULAR-DYNAMICS SIMULATION OF THE LENNARD-JONES LIQUID VAPOR INTERFACE [J].
NIJMEIJER, MJP ;
BAKKER, AF ;
BRUIN, C ;
SIKKENK, JH .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (06) :3789-3792
[8]   PHASE-DIAGRAMS OF LENNARD-JONES FLUIDS [J].
SMIT, B .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (11) :8639-8640