The Representation of Cross Second Virial Coefficients by Multifluid Mixture Models and Other Equations of State,Industrial & Engineering Chemistry Research

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The Representation of Cross Second Virial Coefficients by Multifluid Mixture Models and Other Equations of State
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2021-06-16 , DOI: 10.1021/acs.iecr.1c01186
Andreas Jäger ₁ , Cornelia Breitkopf ₁ , Markus Richter ₂

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Cross second virial coefficients B₁₂ are only a function of temperature and do, therefore, not depend on the composition of the mixture. However, many commonly used mixture models do not fulfill this condition. In this work, we compare the results of multifluid mixture models for B₁₂ with accurate experimental data for mixtures of methane + propane, argon + carbon dioxide, hydrogen + carbon dioxide, and ethane + carbon dioxide. It was found that neither multifluid mixture models with adjusted parameters nor multifluid mixture models employing a theoretically based departure function using either UNIFAC or COSMO-SAC as the g^E-model are capable of describing B₁₂ correctly. Furthermore, the ability of other commonly used equations of state (SRK, PSRK, and PCP-SAFT) to correctly represent cross second virial coefficients is evaluated and the results of these equations of state are used for comparison. A possible modification of the multifluid mixture model in the limit of zero density for achieving the correct behavior of the cross second virial coefficient is discussed.

中文翻译：

用多流体混合模型和其他状态方程表示交叉第二维里系数

交叉第二维里系数B ₁₂只是温度的函数，因此不取决于混合物的组成。然而，许多常用的混合模型并不满足这个条件。在这项工作中，我们将B ₁₂多流体混合物模型的结果与甲烷 + 丙烷、氩气 + 二氧化碳、氢气 + 二氧化碳和乙烷 + 二氧化碳混合物的准确实验数据进行了比较。结果发现，无论是具有调整参数的多流体混合模型，还是采用基于理论的偏离函数，使用 UNIFAC 或 COSMO-SAC 作为g ^E模型的多流体混合模型都不能描述B ₁₂正确。此外，评估了其他常用状态方程（SRK、PSRK 和 PCP-SAFT）正确表示交叉二次维里系数的能力，并将这些状态方程的结果用于比较。讨论了在零密度极限下对多流体混合模型的可能修改，以实现交叉第二维里系数的正确行为。

更新日期：2021-06-30

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