Monte Carlo study of the two-dimensional chemically associating fluids

被引：6

作者：

Henderson, D

Huerta, A

Pizio, O

Trokhymchuk, A

机构：

[1] Univ Nacl Autonoma Mexico, INST QUIM, COYOACAN 04510, DF, MEXICO

[2] NATL ACAD SCI UKRAINE, INST CONDENSED MATTER PHYS, UA-11 LVOV, UKRAINE

来源：

MOLECULAR PHYSICS | 1997年 / 90卷 / 04期

关键词：

D O I：

10.1080/00268979709482639

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：

Monte Carlo simulations are reported for the distribution functions, the fraction of unbonded and bonded particles, and the pressure of a chemically associating fluid of hard discs of a circularly symmetric attractive square well. Depending on the choice of the bonding length, dimers or chain molecules of different length can be formed. The dependence of the structural properties of the model on the fluid density and association energy is discussed.

引用

收藏

页码：571 / 579

页数：9

相关论文

共 25 条

[1] BHS THEORY AND COMPUTER-SIMULATIONS OF LINEAR HETERONUCLEAR TRIATOMIC HARD-SPHERE MOLECULES [J].

AMOS, MD ;

JACKSON, G .

MOLECULAR PHYSICS, 1991, 74 (01) :191-210

[2]

BGCHI K, 1996, PHYS REV E, V53, P3974

[3]

BOUBLIK T, 1988, MOL PHYS, V63, P685, DOI 10.1080/00268978800100491

[4] A MONTE-CARLO METHOD FOR SIMULATING ASSOCIATING FLUIDS [J].

BUSCH, NA ;

WERTHEIM, MS ;

CHIEW, YC ;

YARMUSH, ML .

JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (04) :3147-3156

[5] Monte Carlo simulation of n-member associating fluids: Application to antigen-antibody systems [J].

Busch, NA ;

Wertheim, MS ;

Yarmush, ML .

JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (11) :3962-3975

[6] PHASE-EQUILIBRIA OF ASSOCIATING FLUIDS CHAIN MOLECULES WITH MULTIPLE BONDING SITES [J].

CHAPMAN, WG ;

JACKSON, G ;

GUBBINS, KE .

MOLECULAR PHYSICS, 1988, 65 (05) :1057-1079

[7] FUSED HARD-SPHERE CHAIN MOLECULES - COMPARISON BETWEEN MONTE-CARLO SIMULATION FOR THE BULK PRESSURE AND GENERALIZED FLORY THEORIES [J].

COSTA, LA ;

ZHOU, YQ ;

HALL, CK ;

CARRA, S .

JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (15) :6212-6223

[8] STATISTICAL MECHANICAL MODELS OF CHEMICAL-REACTIONS ANALYTIC SOLUTION OF MODELS OF A+B REVERSIBLE AB IN THE PERCUS-YEVICK APPROXIMATION [J].

CUMMINGS, PT ;

STELL, G .

MOLECULAR PHYSICS, 1984, 51 (02) :253-287

[9] PERCUS-YEVICK EQUATION OF STATE FOR 2-DIMENSIONAL LENNARD-JONES FLUID [J].

GLANDT, ED ;

FITTS, DD .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (10) :4503-4508

[10]

HELFAND E, 1961, J CHEM PHYS, V34, P1031