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Vapor-liquid and liquid-liquid equilibrium calculations in mixtures containing non-ionic glycol ether surfactant using PHSC equation of state

机译:使用PHSC状态方程计算含非离子型乙二醇醚表面活性剂的混合物的汽-液和液-液平衡

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In this study, vapor-liquid and liquid-liquid equilibrium in mixtures containing glycol ether surfactant, non-polar and polar compounds are calculated using Perturbed Hard Sphere Chain (PHSC) equation of state (EoS). Pure liquid density and vapor pressure of surfactants are used for parameter estimation of glycol ether surfactants. The PHSC parameters are calculated for both ethylene glycol ether and propylene glycol ether surfactants. Glycol ether surfactant molecules are modeled as associating components by considering two association sites for each molecule. The results show that the PHSC model is capable of correlating thermodynamic behavior of binary (polar + surfactant) and (non-polar + surfactant) systems. Upper critical solution temperature (UCST) for hydrocarbon + surfactant and lower critical solution temperature (LCST) for water + surfactant systems are accurately calculated. The critical temperatures and the extent of immiscibility are in good agreement with the available experimental data.
机译:在这项研究中,使用扰动硬球链(PHSC)状态方程(EoS)计算包含乙二醇醚表面活性剂,非极性和极性化合物的混合物中的气-液和液-液平衡。使用表面活性剂的纯液体密度和蒸气压来估算乙二醇醚表面活性剂的参数。对于乙二醇醚和丙二醇醚表面活性剂,均会计算PHSC参数。通过考虑每个分子的两个缔合位点,将乙二醇醚表面活性剂分子建模为缔合组分。结果表明,PHSC模型能够关联二元(极性+表面活性剂)和(非极性+表面活性剂)体系的热力学行为。准确计算出碳氢化合物+表面活性剂的上临界溶液温度(UCST)和水+表面活性剂系统的下临界溶液温度(LCST)。临界温度和不混溶程度与现有实验数据高度吻合。

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