Application of the Perturbed-Chain SAFT equation of state to polar systems
Application of the Perturbed-Chain SAFT equation of state to polar systems
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DOI：
10.1016/j.fluid.2002.12.002
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发表时间：
2004-03-20
影响因子：
2.6
通讯作者：
Sadowski, G
中科院分区：
文献类型：
--
作者：
Tumakaka, F;Sadowski, G
微扰链SAFT（PC-SAFT）状态方程适用于纯极性物质以及含有极性低分子物质和极性共聚物的二元混合物的汽液平衡和液液平衡。对于这些组件，极性版本的PC-SAFT模型需要四个纯组件的参数，以及官能团的偶极矩。对于每个二元系统，只需要一个与温度无关的二元相互作用k（ij）。简单的混合和合并规则，采用一个以上的极性组分的混合物，而不使用额外的二元相互作用参数。该模型的能力，以准确地描述共沸和非共沸的汽-液平衡，在低和高的压力，以及液-液平衡的各种系统中含有极性成分的证明。溶剂系统，如丙酮-烷烃混合物和共聚物系统，如聚（乙烯-共-乙酸乙烯酯）/溶剂进行了讨论。低分子体系的结果也显示了扩展的PC-SAFT模型的预测能力。(C)2003 Elsevier B. V.保留所有权利。
The Perturbed-Chain SAFT (PC-SAFT) equation of state is applied to pure polar substances as well as to vapor-liquid and liquid-liquid equilibria of binary mixtures containing polar low-molecular substances and polar co-polymers. For these components, the polar version of the PC-SAFT model requires four pure-component parameters as well as the functional-group dipole moment. For each binary system, only one temperature-independent binary interaction k(ij) is needed. Simple mixing and combining rules are adopted for mixtures with more than one polar component without using an additional binary interaction parameter. The ability of the model to accurately describe azeotropic and non-azeotropic vapor-liquid equilibria at low and at high pressures, as well as liquid-liquid equilibria is demonstrated for various systems containing polar components. Solvent systems like acetone-alkane mixtures and co-polymer systems like poly(ethylene-co-vinyl acetate)/solvent are discussed. The results for the low-molecular systems also show the predictive capabilities of the extended PC-SAFT model. (C) 2003 Elsevier B.V. All rights reserved.