TY - JOUR
T1 - Capabilities, limitations and challenges of a simplified PC-SAFT equation of state
AU - von Solms, Nicolas
AU - Kouskoumvekaki, Irene
AU - Michelsen, Michael Locht
AU - Kontogeorgis, Georgios
PY - 2006
Y1 - 2006
N2 - PC-SAFT (perturbed-chain statistical associating fluid theory) is a novel equation of state, proposed by Gross and Sadowski in 2001 [J. Gross, G. Sadowski, Perturbed-chain SAFT: an equation of state based on a perturbation theory for chain molecules, Ind. Eng. Chem. Res. 40 (2001) 1244]. It is a variant of the SAFT family and has already found several successful applications, especially for polymer and co-polymer solutions at both low and high pressures. Recently, a simplified version of PC-SAFT proposed by von Solms et al. [N. von Solms, M.L. Michelsen, G.M. Kontogeorgis, Computational and physical performance of a modified PC-SAFT equation of state for highly asymmetric and associating mixtures, Ind. Eng. Chem. Res. 42 (2003) 1098.] has been applied to several complex polymer-sol vent systems, including vapor-liquid equilibria, liquid-liquid equilibria and gas solubilities for both single-solvent and mixed-solvents (ternary) systems. This manuscript briefly reviews previous successful applications of PC-SAFT, illustrates the capabilities of the model and indicates some problems and limitations in specific areas, especially aqueous systems and blends, as well as challenges that need to be addressed in the future for describing various systems of practical significance. (c) 2006 Elsevier B.V. All rights reserved.
AB - PC-SAFT (perturbed-chain statistical associating fluid theory) is a novel equation of state, proposed by Gross and Sadowski in 2001 [J. Gross, G. Sadowski, Perturbed-chain SAFT: an equation of state based on a perturbation theory for chain molecules, Ind. Eng. Chem. Res. 40 (2001) 1244]. It is a variant of the SAFT family and has already found several successful applications, especially for polymer and co-polymer solutions at both low and high pressures. Recently, a simplified version of PC-SAFT proposed by von Solms et al. [N. von Solms, M.L. Michelsen, G.M. Kontogeorgis, Computational and physical performance of a modified PC-SAFT equation of state for highly asymmetric and associating mixtures, Ind. Eng. Chem. Res. 42 (2003) 1098.] has been applied to several complex polymer-sol vent systems, including vapor-liquid equilibria, liquid-liquid equilibria and gas solubilities for both single-solvent and mixed-solvents (ternary) systems. This manuscript briefly reviews previous successful applications of PC-SAFT, illustrates the capabilities of the model and indicates some problems and limitations in specific areas, especially aqueous systems and blends, as well as challenges that need to be addressed in the future for describing various systems of practical significance. (c) 2006 Elsevier B.V. All rights reserved.
U2 - 10.1016/j.fluid.2006.01.001
DO - 10.1016/j.fluid.2006.01.001
M3 - Journal article
SN - 0378-3812
VL - 241
SP - 344
EP - 353
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
IS - 1-2
ER -