A NEW EQUATION OF STATE FOR SQUARE-WELL MOLECULES

被引：7

作者：

BOKIS, CP ^{[1
]}

DONOHUE, MD ^{[1
]}

机构：

[1] JOHNS HOPKINS UNIV,DEPT CHEM ENGN,BALTIMORE,MD 21218

来源：

INTERNATIONAL JOURNAL OF THERMOPHYSICS | 1995年 / 16卷 / 05期

关键词：

EQUATION STATE; MOLECULAR SIMULATION; PERTURBATION THEORY; 2ND VIRIAL COEFFICIENT; SQUARE-WELL MOLECULES;

D O I：

10.1007/BF02081295

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

This paper presents a new equation of state for the square-well fluid based on perturbation theory. This equation has the exact second virial coefficient behavior, converges to the correct mean-field behavior at high densities, and accurately interpolates between the two limits. Monte Carlo simulations were performed to evaluate the limiting behavior of the theory in the dilute-gas regime. Comparison of the theory with the simulation results shows excellent agreement between the equation-of-state predictions and the data.

引用

页码：1277 / 1286

页数：10

共 8 条

[1] STUDIES IN MOLECULAR DYNAMICS .10. CORRECTIONS TO AUGMENTED VAN-DER-WAALS THEORY FOR SQUARE-WELL FLUID [J].