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A study of square-well statistical associating fluid theory approximations
Institution:1. Process Dynamics and Operations Group, Department of Biochemical and Chemical Engineering, TU Dortmund, Emil-Figge Straße 70, 44227 Dortmund, Germany;1. Laboratoire d’Automatique, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland;2. Institute for Automation and Applied Informatics, Karlsruhe Institute of Technology, 76344 Eggenstein-Leopoldshafen, Germany
Abstract:Six square-well (SW) statistical associating fluid theory (SAFT) models, fitted to the experimental saturated liquid volume and saturated vapor pressure for pure n-alkanes, are analyzed for predicting the coexisting densities, second virial coefficients, and binary phase equilibria. The models that result in low values of the segment energy and weak molecular weight dependence of the parameters are found to be more accurate for real fluids. The inclusion of the dimer structure in the SW chain term seems to produce no significant benefit for representing real substances.
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