Simultaneous Modeling of Phase Equilibria and Interfacial Properties Using the PCP-SAFT Model

被引：8

作者：

Schaefer, Elisabeth ^{[1
,2
]}

Vogelpohl, Christina ^{[2
]}

Sadowski, Gabriele ^{[2
]}

Enders, Sabine ^{[1
]}

机构：

[1] Tech Univ Berlin, Inst Thermodynam & Therm Verfahrenstech, D-10587 Berlin, Germany

[2] Tech Univ Dortmund, Fak Bio & Chemieingenieurwesen, D-44227 Dortmund, Germany

来源：

CHEMIE INGENIEUR TECHNIK | 2013年 / 85卷 / 10期

关键词：

Density gradient theory; Hydroformylation; PCP-SAFT equation of state; Thermomorphic solvent systems; PERTURBED-CHAIN SAFT; EXCESS THERMODYNAMIC PROPERTIES; HEAVY NORMAL-PARAFFINS; PROPYLENE CARBONATE; LIQUID-EQUILIBRIA; BINARY-MIXTURES; SURFACE-TENSION; TEMPERATURES; PRESSURES; EQUATION;

D O I：

10.1002/cite.201300036

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

Liquid-liquid- und gas-liquid equilibria data as well as information on interfacial properties are needed to investigate the applicability of thermomorphic solvent systems to the hydroformylation of olefins. The perturbed chain polar statistical associating fluid theory (PCP-SAFT) combined with the density gradient theory was shown to be highly appropriate to calculate these data. Only one set of parameters for each component was necessary to describe the different thermodynamic properties. Thereby, also experimental data which were not involved in parameter fitting were reproduced successfully. That is, the modeling tool can be applied to reliably generate data for experimentally unexplored thermodynamic states.

引用

页码：1512 / 1522

页数：11

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