LIQUID-LIQUID EQUILIBRIA IN BINARY-SYSTEMS - MONTE-CARLO SIMULATIONS FOR CALCULATING THE EFFECT OF NONRANDOM MIXING

被引：39

作者：

LAMBERT, SM ^{[1
]}

SOANE, DS ^{[1
]}

PRAUSNITZ, JM ^{[1
]}

机构：

[1] LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720

来源：

FLUID PHASE EQUILIBRIA | 1993年 / 83卷 / pt 2期

关键词：

LATTICE MODEL; MONTE-CARLO SIMULATION; LIQUID-LIQUID EQUILIBRIA; BINARY MIXTURES; POLYMER SOLUTION;

D O I：

10.1016/0378-3812(93)87007-N

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

Monte-Carlo simulations of a lattice model for incompressible monomer/r-mer mixtures are used to obtain accurate results for the configurational energy of mixing. Based on simulation results, the energy of mixing is correlated as a function of temperature and composition using an empirical expression. The configurational Helmholtz energy is obtained upon using the Gibbs-Helmholtz equation with Guggenheim's athermal entropy of mixing as boundary condition. Since Monte-Carlo simulations give essentially exact results for the lattice model, the effects of nonrandom mixing on the configurational thermodynamic properties of a binary mixture can be determined. The expression generated here produces coexistence curves that are more accurate than those from other models, especially near the critical region.

引用

页码：59 / 68

页数：10

共 20 条

[1]

Allen M.P., 1987, COMPUTER SIMULATION

[2]

[Anonymous], STAT MECH PRINCIPLES

[3] CLOUD-POINT CURVES OF POLYMER-SOLUTIONS FROM THERMOOPTIC MEASUREMENTS [J].