t-mPR状态方程计算高压CO2／丙酮、CO2／乙醇、CO2／乙醇／水的气液平衡和体积膨胀

摘要

采用t-mPR状态方程（EoS）对CO2/丙酮、CO2/醇二元体系和CO2/醇／水三元体系的高压汽液平衡（VLE）、液相体积膨胀率进行计算，并与文献报道的实验数据，以及采用PR EoS得到的结果进行比较。结果表明，与PR EoS相比较，t-mPR EoS可以对上述二元体系的VLE取得较好的关联效果，对三元体系取得较好的预测效果。基于VLE点的计算，进一步对上述体系的液相体积膨胀率进行预测。与PR EoS相比较，t-mPR EoS对二元体系的预测结果的精度有所提高，对三元体系在7.8MPa左右有最大体积膨胀率，模型预测较好。%The vapor-liquid equilibirum （VLE） and volume expansion of the liquid phases for the CO2/acetone and CO2/ethanol binary systems and the CO2/ethanol/water ternary system have been investigated using the t-mPR equation of state （t-mPR EoS）. Calcualted results have been compared with published experimental data and those obtained from the PR equation of state （PR EoS）. The correlations for the published VLE data of the above binary systems and the prediction for the ternary system showed that both the t-mPR EoS and the PR EoS can provide fairly good VLE calculations, but t-mPR EoS gives slightly better results. The volume expansion prediction for the above systems and the comparison with the published data showed that the t-mPR EoS gives better results to PR-EoS for the binary systems and provides more reasonable results around 7.8 MPa （there exists a maximum volume expansion） for the ternay system.