Modeling phase equilibria relevant to biodiesel production: A comparison of g E models, cubic EoS, EoS-g E and association EoS

Industrial and Engineering Chemistry Research

Volumn 50, Issue 4, 2011, Pages 2348-2358

  Oliveira, Mariana B ^a   Ribeiro, Vitor ^a   Queimada, António José ^b   Coutinho, João A P ^a  

^a UNIVERSITY OF AVEIRO   (Portugal)

^b UNIVERSITY OF PORTO   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

ADEQUATE MODELS; BIODIESEL PRODUCTION; CUBIC EQUATIONS OF STATE; CUBIC PLUS ASSOCIATIONS; DESIGN AND OPTIMIZATION; EQUATION OF STATE; EXCESS GIBBS ENERGY; INDUSTRIAL UNITS; LIQUID LIQUID EQUILIBRIUM; MIXING RULES; PENG-ROBINSON; PREDICTIVE SOAVE-REDLICH-KWONG; SOAVE-REDLICH-KWONG; VAPOR-LIQUID EQUILIBRIUM;

BINARY MIXTURES; BIODIESEL; BOATS; EQUATIONS OF STATE; LIQUIDS; TERNARY SYSTEMS;

PHASE EQUILIBRIA;

EID: 79951484862     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie1013585     Document Type: Article

References (37)

1. Guggenheim, E. A. Statistical thermodynamics of mixtures with zero energies of mixing Proc. R. Soc. London, Ser. A 1944, 183, 0203
2. Fredenslund, A.; Jones, R. L.; Prausnitz, J. M. Group-contribution estimation of activity-coefficients in nonideal liquid-mixtures AIChE J. 1975, 21, 1086
3. Magnussen, T.; Rasmussen, P.; Fredenslund, A. UNIFAC parameter table for prediction of liquid-liquid equilibria Ind. Eng. Chem. Process Des. Dev. 1981, 20, 331
4. Larsen, B. L.; Rasmussen, P.; Fredenslund, A. A modified UNIFAC group-contribution model for prediction of phase-equilibria and heats of mixing Ind. Eng. Chem. Res. 1987, 26, 2274
5. Weidlich, U.; Gmehling, J. A Modified UNIFAC Model. 1. Prediction of Vle, He, and Gamma-Infinity Ind. Eng. Chem. Res. 1987, 26, 1372
6. Valderrama, J. O. The state of the cubic equations of state Ind. Eng. Chem. Res. 2003, 42, 1603
7. Huron, M. J.; Vidal, J. New mixing rules in simple equations of state for representing vapor-liquid-equilibria of strongly non-ideal mixtures Fluid Phase Equilib. 1979, 3, 255
8. Orbey, H.; Sandler, S. I. On the combination of equation of state and excess free-energy models Fluid Phase Equilib. 1995, 111, 53
9. Kurihara, K.; Kojima, K. An implicit type Eos-G(E(Vp)) model employing vapor-pressure standard state. 1. Prediction of high-pressure vapor-liquid-equilibria based on low-temperature data Fluid Phase Equilib. 1995, 113, 27
10. Michelsen, M. L. A method for incorporating excess Gibbs energy models in equations of state Fluid Phase Equilib. 1990, 60, 47
11. Michelsen, M. L. A modified Huron-Vidal mixing rule for cubic equations of state Fluid Phase Equilib. 1990, 60, 213
12. Dahl, S.; Michelsen, M. L. High-pressure vapor-liquid-equilibrium with a Unifac-based equation of state AIChE J. 1990, 36, 1829
13. Heidemann, R. A. Excess free energy mixing rules for cubic equations of state Fluid Phase Equilib. 1996, 116, 454
14. Holderbaum, T.; Gmehling, J. PSRK, A group contribution equation of state based on UNIFAC Fluid Phase Equilib. 1991, 70, 251
15. Gmehling, J. Present status and potential of group contribution methods for process development J. Chem. Thermodyn. 2009, 41, 731
16. Kontogeorgis, G. M.; Vlamos, P. M. An interpretation of the behavior of EoS/G(E) models for asymmetric systems Chem. Eng. Sci. 2000, 55, 2351
17. Gros, H. P.; Bottini, S. B.; Brignole, E. A. High pressure phase equilibrium modeling of mixtures containing associating compounds and gases Fluid Phase Equilib. 1997, 139, 75
18. Muller, E. A.; Gubbins, K. E. Molecular-based equations of state for associating fluids: A review of SAFT and related approaches Ind. Eng. Chem. Res. 2001, 40, 2193
19. Economou, I. G.; Tsonopoulos, C. Associating models and mixing rules in equations of state for water/hydrocarbon mixtures Chem. Eng. Sci. 1997, 52, 511
20. Kontogeorgis, G. M.; Voutsas, E. C.; Yakoumis, I. V.; Tassios, D. P. An equation of state for associating fluids Ind. Eng. Chem. Res. 1996, 35, 4310
21. Kontogeorgis, G. M.; Michelsen, M. L.; Folas, G. K.; Derawi, S.; von Solms, N.; Stenby, E. H. Ten years with the CPA (Cubic-Plus-Association) equation of state. Part 1. Pure compounds and self-associating systems Ind. Eng. Chem. Res. 2006, 45, 4855
22. Kontogeorgis, G. M.; Michelsen, M. L.; Folas, G. K.; Derawi, S.; von Solms, N.; Stenby, E. H. Ten years with the CPA (Cubic-Plus-Association) equation of state. Part 2. Cross-associating and multicomponent systems Ind. Eng. Chem. Res. 2006, 45, 4869
23. Oliveira, M. B.; Teles, A. R. R.; Queimada, A. J.; Coutinho, J. A. P. Phase equilibria of glycerol containing systems and their description with the Cubic-Plus-Association (CPA) Equation of State Fluid Phase Equilib. 2009, 280, 22
24. Oliveira, M. B.; Miguel, S. I.; Queimada, A. J.; Coutinho, J. A. P. Phase equilibria of ester plus alcohol systems and their description with the Cubic-Plus-Association equation of state Ind. Eng. Chem. Res. 2010, 49, 3452
25. Oliveira, M. B.; Queimada, A. J.; Coutinho, J. A. P. Prediction of near and supercritical fatty acid ester+alcohol systems with the CPA EoS J. Supercrit. Fluids 2010, 52, 241
26. Ma, F. R.; Hanna, M. A. Biodiesel production: a review Bioresour. Technol. 1999, 70, 1
27. Haas, M. J.; McAloon, A. J.; Yee, W. C.; Foglia, T. A. A process model to estimate biodiesel production costs Bioresour. Technol. 2006, 97, 671
28. Oliveira, M. B.; Varanda, F. R.; Marrucho, I. M.; Queimada, A. J.; Coutinho, J. A. P. Prediction of water solubility in biodiesel with the CPA equation of state Ind. Eng. Chem. Res. 2008, 47, 4278
29. Oliveira, M. B.; Pratas, M. J.; Marrucho, I. M.; Queimada, A. J.; Coutinho, J. A. P. Description of the mutual solubilities of fatty acids and water with the CPA EoS AIChE J. 2009, 55, 1604
30. Negi, D. S.; Sobotka, F.; Kimmel, T.; Wozny, G.; Schomacker, R. Liquid-liquid phase equilibrium in glycerol-methanol-methyl oleate and glycerol-monoolein-methyl oleate ternary systems Ind. Eng. Chem. Res. 2006, 45, 3693
31. Andreatta, A. E.; Casas, L. M.; Hegel, P.; Bottini, S. B.; Brignole, E. A. Phase equilibria in ternary mixtures of methyl oleate, glycerol, and methanol Ind. Eng. Chem. Res. 2008, 47, 5157
32. Cerce, T.; Peter, S.; Weidner, E. Biodiesel-transesterification of biological oils with liquid catalysts: Thermodynamic properties of oil-methanol-amine mixtures Ind. Eng. Chem. Res. 2005, 44, 9535
33. Carvalho, S. Equilíbrio Líquido-Líquido na Produção de Biodiesel. Master Dissertation, Chemistry Department, Aveiro University, 2007.
34. Follegati-Romero, L. A.; Lanza, M.; Batista, F. R. M.; Batista, E. A. C.; Oliveira, M. B.; Coutinho, J. A. P.; Meirelles, A. J. A. Liquid-liquid equilibrium for ternary systems containing ethyl esters, anhydrous ethanol and water at (298.15, 313.15, and 333.15) K Ind. Eng. Chem. Res. 2010, 49, 12613
35. Oliveira, M. B.; Queimada, A. J.; Coutinho, J. A. P. Modeling of biodiesel multicomponent systems with the Cubic-Plus-Association (CPA) equation of state Ind. Eng. Chem. Res. 2010, 49, 1419
36. Oliveira, M. B.; Coutinho, J. A. P.; Queimada, A. J. Mutual solubilities of hydrocarbons and water with the CPA EoS Fluid Phase Equilib. 2007, 258, 58
37. Kontogeorgis, G. M.; Yakoumis, I. V.; Meijer, H.; Hendriks, E.; Moorwood, T. Multicomponent phase equilibrium calculations for water-methanol-alkane mixtures Fluid Phase Equilib. 1999, 160, 201