Equation of State Associated with Activity Coefficient Model Based on Elements and Chemical Bonds
Equation of State Associated with Activity Coefficient Model Based on Elements and Chemical Bonds
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DOI：
10.3390/pr11051499
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发表时间：
2023-05
期刊：
影响因子：
3.5
通讯作者：
Xinyu Li;Baowei Niu;Wenjiao Ma;Wenying Zhao;Xiaoyan Sun;Li Xia;Shuguang Xiang
中科院分区：
文献类型：
--
作者：
Xinyu Li;Baowei Niu;Wenjiao Ma;Wenying Zhao;Xiaoyan Sun;Li Xia;Shuguang Xiang
提出了一种新的元素和化学键相关的Ge-Eos模型(SRK-UNICAC)，该模型考虑了气相和液相对理想状态的偏离。SRK-UNICAC模型结合了UNICAC模型和SRK立方状态方程。它使用UNICAC模型的原始交互参数，并使用该模型计算GE。SRK-UNICAC模型预测了87个二元体系在中低压条件下的汽液平衡，12个二元体系在高压条件下的汽液平衡，14个三元体系的汽液平衡，并与其他5个活度系数模型进行了比较。新模型预测了高压下二元体系的汽相分数、泡点压力和温度，平均相对误差分别为3.75%和6.58%。三元汽液相平衡的汽相分数和泡点温度或泡点压力的平均相对误差分别为6.50%、4.76%和2.25%。SRK-UNICAC模型在预测高压、非极性和极性混合物的汽液相平衡方面更加准确，并且具有更简单和更广泛的预测过程。因此，它可以应用于汽液平衡的预测。
A new element- and chemical bond-dependent GE-EoS model(SRK-UNICAC) is proposed to consider the deviation of the vapor and liquid phases from the ideal state. The SRK-UNICAC model combines the UNICAC model and the SRK cubic equation of state. It uses the original interaction parameters of the UNICAC model and uses this model to calculate the GE. The SRK-UNICAC model predicted vapor-liquid equilibria for 87 binary systems under low- and medium-pressure conditions, 12 binary systems under high-pressure conditions, and 14 ternary systems; a comparison of the predictions with five other activity coefficient models were also made. The new model predicted the vapor-phase fraction and bubble-point pressure, and temperature for the binary system at high pressure, with a mean relative error of 3.75% and 6.58%, respectively. The mean relative errors of vapor-phase fraction and bubble-point temperature or bubble-point pressure for ternary vapor–liquid phase equilibrium were 6.50%, 4.76%, and 2.25%. The SRK-UNICAC model is more accurate in predicting the vapor–liquid phase equilibrium of high-pressure, non-polar, and polar mixtures and has a simpler and wider range of prediction processes. It can therefore be applied to the prediction of vapor–liquid equilibrium.