### HCFC-R22的等效Stockmayer势能模型及汽液平衡分子模拟

1. 北京化工大学化学工程学院
• 发布日期:2000-01-15

### The effective Stockmayer potential model method and vapor-liquid equilibrium simulation of HCFC-R22

Jin Wenzheng;Wang Wenchuan

• Published:2000-01-15

The potential parameters of HCFC-R22 have been determined using the effective Stockmayer potential model developed by Gao, Wang and Zeng. The parameters have been tested through vapor-liquid equilibria in terms of the Gibbs ensemble Monte Carlo simulation. In the simulation, the Metropolis sampling method and periodic boundary conditions are used. The results of the simulation are in excellent agreement with the experimental data. It indicates that the effective Stockmayer potential model is a good representation of HCFC molecules.

Key words: VAPOR LIQUID EQUILIBRIUM, POLAR MOLECULE