CO2气、液、固三相饱和态下pVT的计算

本文基于分子聚集理论和硬球引力场模型应用分子热力学方法导出CS-vdW状态方程,应用上述方程计算了CO2气-液和气-固平衡相的饱和态下pVT性质.取得了很满意的结果.本方法的优点是使用简便,可供工程计算使用.

CALCULATION OF THE pVT PROPERTIES OF VAPOR, LIQUID AND SOLID OF CO2 AT SATURATION CONDITIONS

On the basis of the model for hard-sphere molecules and weak molecular attraction the equation of state for molecular aggregation (CS-vdW) was developed by using molecular thermody- namic method in this paper. Then, the pVT properties of vapor, liquid and solid of CO2 at saturation conditions wer calculated by using the above equation of state. The obtained results are in good agreement with the experimental data. Therefore, this equation of state is available for estimating thermodynamic properties of fluids. This shows that the proposed method may be used for engineer- ing calculations. The advantage of this method is simple and convenient in use, it needs only a few known parameters, that is critical properties (Pc, Tc, Zc) and molecular aggregation parameter (3C*) for calculations.