A hybrid equation of state for Stockmayer pure fluids and mixtures

被引：18

作者：

Kriebel, C

Muller, A

Winkelmann, J

Fischer, J

机构：

[1] AGR UNIV VIENNA,INST LAND UMWELT & ENERGIETECH,A-1190 VIENNA,AUSTRIA

[2] UNIV HALLE WITTENBERG,INST PHYS CHEM,D-06217 MERSEBURG,GERMANY

来源：

FLUID PHASE EQUILIBRIA | 1996年 / 119卷 / 1-2期

关键词：

theory; equation of state; dipolar fluids; Stockmayer fluids;

D O I：

10.1016/0378-3812(95)02852-8

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

A hybrid equation of state for the Helmholtz energy F of Stockmayer fluids is constructed as the sum of the Helmholtz energy F-LJ for the Lennard-Jones fluid and the dipolar contribution to the Helmholtz energy F-D, F = F-LJ + F-D. Predictions from this equation for the thermodynamic properties of the homogeneous phases and for the vapour-liquid phase equilibria show good to excellent agreement with simulation data. Moreover, the properties of mixtures of Stockmayer with Lennard-Jones molecules are shown to be well predicted by using an appropriate mixing rule. For these mixtures, also liquid-liquid phase separations and vapour-liquid phase equilibria are calculated.

引用

页码：67 / 80

页数：14

共 28 条

[1] PRELIMINARY COMMUNICATION - DIELECTRIC-CONSTANT OF A STOCKMAYER FLUID ALONG THE VAPOR-LIQUID COEXISTENCE CURVE [J].