In this work, the COSMO-SAC-Phi equation of state [Fluid Phase Equilib. 488 (2019) 13–26] is refined by the introduction of a new equation to describe dispersive effects. The proposed modification is inspired by the well-known rules of consistency for α-functions, used in cubic equations of state. The results for 38 representative compounds have shown that the proposed modification is able to improve the correlation of pure compound experimental data of saturation pressures and saturated liquid volume, with average deviations of 0.96% and 0.73%, respectively. Densities of pure compounds under conditions beyond the saturation region were also well predicted. Vapor-liquid equilibrium predictions of binary mixtures demonstrated, for most cases, that the modified equation was superior to the original COSMO-SAC-Phi model, PSRK, and Soave-Redlich-Kwong with the classical van der Waals mixing rule. The modified model was also able to produce very good predictions for liquid-liquid equilibrium, being similar to UNIFAC-LLE at low temperatures, but exhibiting a much better performance at higher temperatures (and pressures).

在这项工作中，状态为COSMO-SAC-Phi的流体相平衡。488（2019）13–26]通过引入描述色散效应的新方程进行了完善。拟议的修改是受状态方程式中使用的众所周知的α函数一致性规则的启发。对38种代表性化合物的结果表明，提出的改进能够改善纯化合物的饱和压力和饱和液体体积实验数据的相关性，其平均偏差分别为0.96％和0.73％。还可以很好地预测纯化合物在超出饱和区的条件下的密度。在大多数情况下，对二元混合物的汽液平衡预测表明，修改后的方程优于原始的COSMO-SAC-Phi模型，PSRK，和Soave-Redlich-Kwong的经典范德华混合规则。修改后的模型还能够对液-液平衡做出很好的预测，类似于低温下的UNIFAC-LLE，但在较高的温度（和压力）下表现出更好的性能。