TY - JOUR
T1 - Modelling the phase behaviour and excess properties of alkane + perfluoroalkane binary mixtures with the SAFT-VR approach
AU - Morgado, Pedro
AU - McCabe, Clare
AU - Filipe, Eduardo J. M.
N1 - Funding Information:
We wish to acknowledge the Fulbright Commission for supporting Pedro Morgado's visit to the Colorado School of Mines. We also gratefully acknowledge funding from the National Science Foundation through grant number CTS-0319062.
PY - 2005/2
Y1 - 2005/2
N2 - The phase and volumetric behaviour of binary mixtures of n-alkanes and n-perfluoroalkanes at subcritical conditions have been studied using the SAFT-VR equation of state. In previous work [C. McCabe, A. Galindo, A. Gil-Villegas, G. Jackson, Predicting the high-pressure phase equilibria of binary mixtures of perfluoro-n-alkanes plus n-alkanes using the SAFT-VR approach, J. Phys. Chem. B 102 (1998) 8060-8069] the SAFT-VR equation was successfully used to predict the phase behaviour of binary mixtures of low molecular weight n-perfluoroalkanes + n-alkanes. A transferable binary interaction parameter was proposed which enabled the accurate prediction of the critical lines for all the systems studied. In this work we focus on the low pressure liquid-liquid immiscibility displayed by binary mixtures of longer chains (C5C8). New transferable binary interaction parameters for these mixtures are proposed, based on the reproduction of the UCST and excess volumes for the n-hexane + n-perfluorohexane system. With these parameters, predictions are then made for the vapour-liquid equilibria (VLE), liquid-liquid equilibria (LLE) and excess volumes of other binary mixtures without any additional fitting to experimental data. The resulting predictions from the SAFT-VR equation are in good agreement with the available experimental data.
AB - The phase and volumetric behaviour of binary mixtures of n-alkanes and n-perfluoroalkanes at subcritical conditions have been studied using the SAFT-VR equation of state. In previous work [C. McCabe, A. Galindo, A. Gil-Villegas, G. Jackson, Predicting the high-pressure phase equilibria of binary mixtures of perfluoro-n-alkanes plus n-alkanes using the SAFT-VR approach, J. Phys. Chem. B 102 (1998) 8060-8069] the SAFT-VR equation was successfully used to predict the phase behaviour of binary mixtures of low molecular weight n-perfluoroalkanes + n-alkanes. A transferable binary interaction parameter was proposed which enabled the accurate prediction of the critical lines for all the systems studied. In this work we focus on the low pressure liquid-liquid immiscibility displayed by binary mixtures of longer chains (C5C8). New transferable binary interaction parameters for these mixtures are proposed, based on the reproduction of the UCST and excess volumes for the n-hexane + n-perfluorohexane system. With these parameters, predictions are then made for the vapour-liquid equilibria (VLE), liquid-liquid equilibria (LLE) and excess volumes of other binary mixtures without any additional fitting to experimental data. The resulting predictions from the SAFT-VR equation are in good agreement with the available experimental data.
KW - Alkanes
KW - Excess volumes
KW - Perfluoroalkanes
KW - Phase behaviour
KW - SAFT-VR
UR - http://www.scopus.com/inward/record.url?scp=17544373005&partnerID=8YFLogxK
U2 - 10.1016/j.fluid.2004.08.002
DO - 10.1016/j.fluid.2004.08.002
M3 - Article
AN - SCOPUS:17544373005
SN - 0378-3812
VL - 228-229
SP - 389
EP - 393
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
ER -