A polar cubic equation of state (EOS) is developed by incorporating the dipolar theory of Jog and Chapman into the Soave‐Redlich‐Kwong (SRK) EOS. We propose simplifying assumptions in the dipolar term of Jog and Chapman to reduce the double and triple sums in the theory to single sums. The simplified version of the dipolar theory can significantly improve computational speed and can be used with either Cubic EOS or SAFT‐based EOS. The proposed model, which we call Simplified Polar SRK (SP‐SRK), is parametrized in a similar fashion to classical cubic EOS to exactly reproduce , and will self‐consistently reduce to the base SRK EOS in the absence of polar interactions. Binary VLE data with a non‐polar reference hydrocarbon is used to extract the polarity of the respective functional group. The model shows superior performance in capturing the phase behavior of polar mixtures compared to the base SRK.

中文翻译：

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用于预测混合物相行为和临界现象的有效极三次状态方程

通过将 Jog 和 Chapman 的偶极理论纳入 Soave-Redlich-Kwong (SRK) EOS 中，建立了极三次状态方程 (EOS)。我们建议简化 Jog 和 Chapman 偶极项中的假设，以将理论中的二重和和三重和减少为单重和。偶极理论的简化版本可以显着提高计算速度，并且可以与 Cubic EOS 或基于 SAFT 的 EOS 一起使用。所提出的模型，我们称之为简化极地 SRK (SP-SRK)，以与经典立方 EOS 类似的方式进行参数化，以精确再现 ，并且在没有极性相互作用的情况下，将自洽地简化为基础 SRK EOS。具有非极性参考烃的二进制 VLE 数据用于提取相应官能团的极性。与基础 SRK 相比，该模型在捕获极性混合物的相行为方面表现出卓越的性能。