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首页> 外文期刊>Fluid Phase Equilibria >A new formulation of the predictive NRTL-PR model in terms of kij mixing rules. Extension of the group contributions for the modeling of hydrocarbons in the presence of associating compounds
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A new formulation of the predictive NRTL-PR model in terms of kij mixing rules. Extension of the group contributions for the modeling of hydrocarbons in the presence of associating compounds

机译：基于kij混合规则的NRTL-PR预测模型的新公式。在存在缔合化合物的情况下扩展对烃类建模的小组贡献

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摘要

A generalized NRTL model was previously proposed for the modeling of non ideal systems and was extended to the prediction of phase equilibria under pressure according to the cubic NRTL-PR EoS. In this work, the model is reformulated with a predictive k_(ij) temperature and composition dependent mixing rule and new interaction parameters are proposed between permanent gases, ethane and nitrogen with hydrocarbons, ethane with water and ethylene glycol. Results obtained for excess enthalpies, liquid-vapor and liquid-liquid equilibria are compared with those provided by the literature models, such as VTPR, PPR78, CPA and SRKm. A wide variety of mixtures formed by very asymmetric compounds, such as hydrocarbons, water and ethylene glycols are considered and special attention is paid to the evolution of k_(ij) with respect to mole fractions and temperature.
机译：先前提出了用于非理想系统建模的通用NRTL模型，并根据三次NRTL-PR EoS扩展到了压力下的相平衡预测。在这项工作中，该模型用预测的k_（ij）温度和与成分有关的混合规则进行了重构，并提出了永久性气体，乙烷和氮气与烃，乙烷与水和乙二醇之间的新相互作用参数。将多余的焓，液-汽和液-液平衡所获得的结果与文献模型所提供的结果进行比较，例如VTPR，PPR78，CPA和SRKm。考虑了由非常不对称的化合物（例如碳氢化合物，水和乙二醇）形成的各种混合物，并特别注意了k_（ij）在摩尔分数和温度方面的变化。

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