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Modeling study of the phase behavior of mixtures containing non-ionic glycol ether surfactant

机译:非离子乙二醇醚表面活性剂的混合物相行为的建模研究

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In this study, the perturbed chain statistical associating fluid theory (PC-SAFT) equation of state (EoS) has been utilized for thermodynamic modeling of vapor-liquid and liquid-liquid equilibrium in mixtures containing glycol ether surfactant. Glycol ether surfactant molecules are modeled as associating components by considering two association sites per each molecule. The pure component parameters of the PC-SAFT EoS are adjusted to vapor pressure and liquid density experimental data with AARD of 0.861 and 0.379%, respectively. Using obtained parameters, the phase behavior of binary systems over wide range of thermodynamic conditions is studied. The average deviation between model calculations and experimental data for water + surfactant, alcohol + surfactant, hydrocarbon + surfactant and carbon dioxide + surfactant systems are about 2.18, 1.15, 2.67 and 14.55% respectively. Furthermore, the capability of the model has then been assessed by prediction of phase behavior for the ternary systems without any adjustable parameter. The results show that, the predicted and correlated results are in good agreement with experimental data. (C) 2017 Elsevier B.V. All rights reserved.
机译:在该研究中,扰动链统计关联流体理论(PC-SAFT)状态(EOS)的方程已被用于含有二醇醚表面活性剂的混合物中的蒸气液和液液平衡的热力学建模。乙二醇醚表面活性剂分子通过考虑每个分子的两个缔合位点为关联组分。将PC-SAFT EOS的纯成分参数调整为蒸气压和液体密度实验数据,分别为0.861和0.379%。使用获得的参数,研究了在广泛的热力学条件范围内二元系统的相位行为。模型计算和水+表面活性剂,醇+表面活性剂,烃类+表面活性剂和二氧化碳+表面活性剂系统的平均偏差分别为约2.18,1.15,2.67和14.55%。此外,通过在没有任何可调参数的情况下预测三元系统的相位行为来评估模型的能力。结果表明,预测和相关结果与实验数据吻合良好。 (c)2017年Elsevier B.V.保留所有权利。

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