Novel methodology for analysis and evaluation of SAFT-type equations of state

Industrial and Engineering Chemistry Research

Volumn 52, Issue 38, 2013, Pages 13875-13885

  Polishuk, Ilya ^a   Privat, Romain ^b   Jaubert, Jean Noël ^b  

^a ARIEL UNIVERSITY   (Israel)

^b UNIVERSITÉ DE LORRAINE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYSIS AND EVALUATION; CRITICAL ISOTHERMS; CRITICAL TEMPERATURES; ENERGY PARAMETERS; GLOBAL MAP; NOVEL METHODOLOGY; PC-SAFT EOS; UNIVERSAL CONSTANTS;

TEMPERATURE;

EQUATIONS OF STATE;

EID: 84884935440     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie4020155     Document Type: Article

References (38)

1. Polishuk, I. About the numerical pitfalls characteristic for SAFT EOS models Fluid Phase Equilib. 2010, 298, 67
2. Polishuk, I.; Mulero, A. The numerical challenges of SAFT EoS models Rev. Chem. Eng. 2011, 27, 241
3. Privat, R.; Gani, R.; J.-N. Jaubert, J.-N. Are safe results obtained when the PC-SAFT equation of state is applied to ordinary pure chemicals? Fluid Phase Equilib. 2010, 295, 76
4. Privat, R.; Conte, E.; Jaubert, J.-N.; Gani, R. Are safe results obtained when SAFT equations are applied to ordinary chemicals? Part 2: Study of solid-liquid equilibria in binary systems Fluid Phase Equilib. 2012, 318, 61
5. Yelash, L.; Müller, M.; Paul, W.; Binder, K. A global investigation of phase equilibria using the perturbed-chain statistical-associating-fluid- theory approach J. Chem. Phys. 2005, 123, 14908
6. Yelash, L.; Müller, M.; Paul, W.; Binder, K. Artificial multiple criticality and phase equilibria: An investigation of the PC-SAFT Approach Phys. Chem. Chem. Phys. 2005, 7, 3728
7. Anderko, A. Cubic and generalized van der Waals equations. In Equations of State for Fluids and Fluid Mixtures. Part I; Elsevier: Amsterdam, 2000.
8. Wei, Y. S.; Sadus, R. J. Equations of state for the calculation of fluid-phase equilibria AIChE J. 2000, 46, 169
9. Valderrama, J. O. The state of the cubic equations of state Ind. Eng. Chem. Res. 2003, 42, 1603
10. Kontogeorgis, G. M.; Folas, G. K. Thermodynamic Models for Industrial Applications. From Classical and Advanced Mixing Rules to Association Theories; John Wiley & Sons: New York, 2010.
11. Castro-Marcano, F.; Colina, C. M.; Olivera-Fuentes, C. Parametrization of molecular-based equations of state: The PC-SAFT, soft-SAFT, PHSC and PSCT models Pol. J. Chem. 2006, 80, 37
12. Cismondi, M.; Brignole, E. A.; Mollerup, J. Rescaling of three-parameter equations of state: PC-SAFT and SPHCT Fluid Phase Equilib. 2005, 234, 108
13. Tan, S. P.; Adidharma, H.; Radosz, M. Recent advances and applications of statistical associating fluid theory Ind. Eng. Chem. Res. 2008, 47, 8063
14. Kiselev, S. B.; Ely, J. F. Crossover SAFT equation of state: Application for normal alkanes Ind. Eng. Chem. Res. 1999, 38, 4993
15. Adidharma, H.; Radosz, M. Prototype of an engineering equation of state for heterosegmented polymers Ind. Eng. Chem. Res. 1998, 37, 4453
16. McCabe, C.; Kiselev, S. B. A crossover SAFT-VR equation of state for pure fluids: Preliminary results for light hydrocarbons Fluid Phase Equilib. 2004, 219, 3
17. McCabe, C.; Kiselev, S. B. Application of crossover theory to the SAFT-VR equation of state: SAFT-VRX for pure fluids Ind. Eng. Chem. Res. 2004, 43, 2839
18. Kiselev, S. B.; Ely, J. F. HRX-SAFT Equation of state for fluid mixtures: New analytical formulation J. Phys. Chem. C 2007, 111, 15969
19. Forte, E.; Llovell, F.; Vega, L. F.; Trusler, J. P. M.; Galindo, A. Application of a renormalization-group treatment to the statistical associating fluid theory for potentials of variable range (SAFT-VR) J. Chem. Phys. 2011, 134, 154102
20. Forte, E.; Llovell, F.; Trusler, J. P. M.; Galindo, A. Application of the statistical associating fluid theory for potentials of variable range (SAFT-VR) coupled with renormalisation-group (RG) theory to model the phase equilibria and second-derivative properties of pure fluids Fluid Phase Equilib. 2013, 337, 274
21. Polishuk, I. Hybridizing SAFT and Cubic EOS: What can be achieved? Ind. Eng. Chem. Res. 2011, 50, 4183
22. Gross, J.; Sadowski, G. Pertubed-chain SAFT: An equation of state based on a perturbation theory for chain molecules Ind. Eng. Chem. Res. 2001, 40, 1244
23. Ji, X.; Held, C.; Sadowski, G. Modeling imidazolium-based ionic liquids with ePC-SAFT Fluid Phase Equilib. 2012, 335, 64
24. Harris, K. R.; Kanakubo, M.; Woolf, L. A. Temperature and pressure dependence of the viscosity of the ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate: Viscosity and density relationships in ionic liquids J. Chem. Eng. Data 2007, 52, 2425-2430
25. Polishuk, I. Generalization of SAFT + Cubic equation of state for predicting and correlating thermodynamic properties of heavy organic substances J. Supercrit. Fluids. 2012, 67, 94-107
26. Huang, S. H.; Radosz, M. Equation of state for small, large, polydisperse and associating molecules Ind. Eng. Chem. Res. 1990, 29, 2284
27. Blas, F. J.; Vega, L. F. Thermodynamic behaviour of homonuclear and heteronuclear Lennard-Jones Chains with association sites from simulation and theory Mol. Phys. 1997, 92 (1) 135
28. Blas, F. J.; Vega, L. F. Prediction of binary and ternary diagrams using the statistical associating fluid theory (SAFT) equation of state Ind. Eng. Chem. Res. 1998, 37, 660
29. Gil-Villegas, A.; Galindo, A.; Whitehead, P. J.; Mills, S. J.; Jackson, G. Statistical associating fluid theory for chain molecules with attractive potentials of variable range J. Chem. Phys. 1997, 106, 4168
30. Chen, S. S.; Kreglewski, A. Applications of the augmented van der Waals theory of fluids: I. Pure fluids Ber. Bunsen-Ges. Phys. Chem. 1977, 81, 1048
31. Johnson, J. K.; Zollweg, J. A.; Gubbins, K. E. The Lennard-Jones equation of state revisited Mol. Phys. 1993, 78 (3) 591
32. Prausnitz, J. M.; Lichtenthaler, R. N.; Gomes de Azevedo, E. Molecular Thermodynamics of Fluid-Phase Equilibria, 3rd ed.; Prentice-Hall: Upper Saddle River, NJ, 1999.
33. van Konynenburg, P. H.; Scott, R. L. Critical lines and phase equilibria in binary Van Der Waals mixtures Philos. Trans. R. Soc. London, A 1980, 298, 495
34. Privat, R.; Jaubert, J. N. Classification of global fluid-phase equilibrium behaviors in binary systems. Chem. Eng. Res. Des. 2013, http://dx.doi.org/10.1016/j.cherd.2013.06.026.
35. Kroon, M. C.; Shariati, A.; Costantini, M.; van Spronsen, J.; Witkamp, G.-J.; Sheldon, R. A.; Peters, C. J. High-pressure phase behavior of systems with ionic liquids: Part V. The binary system carbon dioxide + 1-butyl-3-methylimidazolium tetrafluoroborate J. Chem. Eng. Data 2005, 50, 173
36. Polishuk, I. Implementation of perturbed-chain statistical associating fluid theory (PC-SAFT), generalized (G)SAFT+Cubic, and cubic-plus-association (CPA) for modeling thermophysical properties of selected 1-alkyl-3- methylimidazolium ionic liquids in a wide pressure range J. Phys. Chem. A 2013, 117, 2223-2232
37. Paduszyński, K.; Domańska, U. Thermodynamic modeling of ionic liquid systems: Development and detailed overview of novel methodology based on the PC-SAFT J. Phys. Chem. B 2012, 116, 5002
38. Liang, X.; Maribo-Mogensen, B.; Thomsen, K.; Yan, W.; Kontogeorgis, G. M. Approach to improve speed of sound calculation within PC-SAFT framework Ind. Eng. Chem. Res. 2012, 51, 14903