高碳(链)烷烃饱和液体pVT性质的计算

Calculation of the pVT properties of liquidsof high-carbon alkanes at saturation conditions

基于硬球弱引力场模型应用分子热力学方法导出聚集型CS -vdW状态方程 ,然后 ,应用上述方程计算高碳(链 )烷烃饱和液体 pVT性质 ,其结果与实验数据符合良好。本方法优点是使用简便 ,只需少数已知参数 ,如临界性质(pc,Vc,Tc)及聚集参数 3C 即可。

On the basis of the model for hard-sphere molecules and weak molecular attraction,the equation of state(CS-vdW) for molecular aggregation was developed by using molecular thermodynamic method in this paper Then,the pVT properties of liquids of high-carbon alkanes at saturation conditions were calculated by using the above equation of state The obtained results are in good agreement with the experimental data This shows that the proposed method may be used for engineering calculations The advantage of this method is simple and convenient in use It needs only a few known parameters,that is critical properties (p c,V c,T c) and molecular aggregation parameter(3C )for calculations