In this work, the Peng–Robinson (PR) equation of state (EoS) and MHV2 mixing rule that were combined with UNIFAC and NRTL G^E models were used to predict vapor–liquid phase equilibrium (VLE) data for CO₂–hydrocarbon systems. These systems included 12 binary systems and three ternary systems. The PRMHV2-UNIFAC model was used to calculate the bubble pressure, and the average absolute relative deviations (AARD %) were 17.49–32.20% for 12 binary systems. For the PRMHV2-NRTL model, the binary interaction parameters of the NRTL model dependent on temperature were regressed based on the binary VLE data. These new interaction parameters were used to estimate CO₂–hydrocarbon VLE data for binary and ternary systems. The bubble pressure was predicted by the PRMHV2-NRTL model, and the AARD % values were 1.52–9.44% for binary systems, which were lower than the value of the PRMHV2-UNIFAC model. The PRMHV2-UNIFAC and PRMHV2-NRTL models were also used to calculate the liquid phase mole fraction of CO₂–hydrocarbon ternary systems, and the average absolute deviations (AAD %) were less than 20.70 and 8.54%, respectively.

中文翻译：

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PRMHV2-UNIFAC和PRMHV2-NRTL模型对CO ₂烃系统相平衡的估计和相关

在这项工作中，结合UNIFAC和NRTL G ^E模型的Peng–Robinson（PR）状态方程（EoS）和MHV2混合规则用于预测CO ₂－烃系统的汽液相平衡（VLE）数据。这些系统包括12个二进制系统和3个三进制系统。PRMHV2-UNIFAC模型用于计算气泡压力，对于12个二元系统，平均绝对相对偏差（AARD％）为17.49–32.20％。对于PRMHV2-NRTL模型，基于二进制VLE数据回归了取决于温度的NRTL模型的二进制交互参数。这些新的相互作用参数用于估算CO ₂–二元和三元系统的碳氢化合物VLE数据。气泡压力是由PRMHV2-NRTL模型预测的，对于二元系统，AARD％的值在1.52-9.44％之间，低于PRMHV2-UNIFAC模型的值。PRMHV2-UNIFAC和PRMHV2-NRTL模型也用于计算CO _2-烃三元体系的液相摩尔分数，平均绝对偏差（AAD％）分别小于20.70和8.54％。