Second-order thermodynamic derivative properties of selected mixtures by the soft-SAFT equation of state |
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| Affiliation: | 1. Institut de Ciència de Materials de Barcelona, Consejo Superior de Investigaciones Científicas (ICMAB-CSIC), Campus de la U.A.B., Bellaterra, 08193 Barcelona, Spain;2. Physical Chemistry and Molecular Thermodynamics, Faculty of Applied Sciences, Delft University of Technology, Julianalaan 136, 2628 BL Delft, The Netherlands;1. Ningbo Institute of Technology, Zhejiang University, Ningbo 315100, China;2. Institute of Refrigeration and Cryogenics, Zhejiang University, Hangzhou 310027, China;1. Thermodynamics Research Unit, School of Engineering, University of KwaZulu-Natal, Howard College Campus, King George V Avenue, Durban 4041, South Africa;2. MINES ParisTech, PSL Research University, CTP – Centre Thermodynamics of Processes, 35 Rue Saint Honoré, 77305 Fontainebleau, France;1. Laboratoire des Fluides Complexes, Faculté des Sciences et Techniques, UMR CNRS 5150, Université de Pau, BP 1155, 64013 Pau Cedex, France;2. Departamento de Ingeniería Electromecánica, Escuela Politécnica Superior, Universidad de Burgos, E-09006 Burgos, Spain;3. Ecole Nationale des Sciences Appliquées d’El Jadida, Université Chouaib Doukkali-El Jadida, BP 1166, El Jadida Plateau 24002, Morocco;1. School of Chemical, Gas and Petroleum Engineering, Semnan University, Semnan, Iran;2. Department of Chemistry, Semnan University, Semnan, Iran |
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| Abstract: | We have discussed the capability of the soft-SAFT equation of state (EoS) to predict second order thermodynamic derivative properties of pure fluids in a recent paper [F. Llovell, L.F. Vega, J. Phys. Chem. B 110 (2006) 11427–11437]. The goal of this work is to extend these calculations to selected binary mixtures. The equation was applied in a semi-predictive manner: the pure component molecular parameters needed to apply soft-SAFT to experimental systems were obtained by fitting vapor–liquid equilibrium data and used, without further fitting, to calculate isochoric and isobaric heat capacities of selected alkane + n-alkane and n-alkane + 1-alkanol binary mixtures; isentropic compressibility coefficients and the speed of sound of selected n-alkane + 1-alkanol mixtures were calculated following the same procedure. We have used the crossover soft-SAFT equation which explicitly incorporates a renormalization group term in order to take into account the long range fluctuations appearing in the near critical region. Soft-SAFT was able to capture the qualitative behavior of the mixture properties studied, for a wide range of conditions, showing quantitative agreement with experimental data in some of the cases. As a further test to the equation, we have also calculated excess properties. The equation was able to capture the non-ideal behavior upon mixing experienced by these properties. This work shows the robustness of the molecular parameters and the equation to calculate properties not included in the fitting procedure, in a predictive manner. |
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