2012•Tsinghua Science & TechnologyOpen access

Phase equilibrium calculation of mixtures: Comparison of SAFT, modified SAFT, and BACK EOS for supercritical CO 2 -C 2 H 5 OH system

Zhiyu Zhang, Zhongqiao Hu, Jichu Yang, Yigui Li

Abstract

Three calculational models, statistical associating fluid theory (SAFT), modified SAFT, and Boublik Alder Chen Kreglewshi (BACK) are compared for supercritical CO 2 C 2H 5OH using a set of van der Waals type mixing rules for both the BACK equation of state (EOS) and the SAFT EOS. Equations are presented for the residual Helmholtz free energy, residual chemical potentials, and compressibilty factor for mixtures. A comparison with experimental vapor liquid equilibrium (VLE) data reveals that the BACK EOS together with the suggested mixing rules provides more accurate prediction of the binary system than the SAFT or the modified SAFT model with no adjustable binary parameters. The correlation results are improved with an adjustable parameter. 

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Key concepts: Supercritical fluid, Thermodynamics, Equation of state, Helmholtz free energy, Combining rules, Chemistry, Binary number, Vapor–liquid equilibrium