Measurements of liquid-liquid equilibria for a methanol + glycerol + methyl oleate system and prediction using group contribution statistical associating fluid theory

Industrial and Engineering Chemistry Research

Volumn 49, Issue 12, 2010, Pages 5800-5807

  Barreau, A ^a   Brunella, I ^a   De Hemptinne, J C ^a   Coupard, V ^a   Canet, X ^a   Rivollet, F ^a  

^a IFP ^*  (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION SCHEMES; BINARY INTERACTION PARAMETER; BINARY SYSTEMS; BIODIESEL PRODUCTION; EQUATION OF STATE; FATTY ACID METHYL ESTER; FLUID-PHASE; GROUP CONTRIBUTION METHOD; GROUP CONTRIBUTIONS; HEAVY ESTERS; LIQUID LIQUID EQUILIBRIUM; METHYL OLEATE; PURE COMPONENTS; SEPARATION UNITS; STATISTICAL ASSOCIATING FLUID THEORY; VAPOR-LIQUID; VAPOR-LIQUID EQUILIBRIUM;

BINARY MIXTURES; EQUATIONS OF STATE; ESTERIFICATION; ESTERS; FATTY ACIDS; FORECASTING; GLYCEROL; HYDROCARBONS; METHANOL; PHASE EQUILIBRIA; TERNARY SYSTEMS; VAPORS;

LIQUIDS;

EID: 77953345726     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie901379x     Document Type: Article

References (34)

1. Tamouza, S.; Passarello, J.-P.; Tobaly, P.; de Hemptinne, J.-C. Group contribution method with SAFT EOS applied to vapor liquid equilibria of various hydrocarbons series Fluid Phase Equilib. 2004, 222-223, 67-76
2. Nguyen Huynh, D.; Falaix, A.; Passarello, J.-P.; Tobaly, P.; de Hemptinne, J.-C. Predicting VLE of heavy esters and their mixtures using GC-SAFT Fluid Phase Equilib. 2008, 264, 184-200
3. Zhou, H.; Lu, H.; Liang, B. Solubility of multicomponent systems in the biodiesel production by transesterification of Jatropha curcas L. oil with methanol J. Chem. Eng. Data 2006, 51, 1130-1135
4. Di Felize, R.; De Faveri, D.; De Andreis, P.; Ottonello, P. Component distribution between light and heavy phases in biodiesel processes Ind. Eng. Chem. Res. 2008, 47, 7862-7867
5. Negi, D. S.; Sobotka, F.; Kimmel, T.; Wozny, G.; Schomäcker, R. Liquid-liquid phase equilibrium in glycerol-methanol-methyl oleate and glycerol-monoolein-methyl oleate ternary systems Ind. Eng. Chem. Res. 2006, 45, 3693-3696
6. Andreatta, A. E.; Casa, 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, 5157-5164
7. ∞ Ind. Eng. Chem. Res. 1987, 26, 1372-1381
8. Andreatta, A. E.; Lugo, R.; de Hemptinne, J.-C.; Brignole, E. A.; Bottini, S. B. Phase equilibria modeling of biodiesel related mixtures using the GCA-EoS model. Fluid Phase Equilib. 2010, in press.
9. Mengarelli, A. C.; Brignole, E. A.; Bottini, S. B. Activity coefficients of associating mixtures by group contribution Fluid Phase Equilib. 1999, 163, 195-207
10. Gros, H. P.; Bottini, S.; Brignole, E. A. A group contribution equation of state for associating mixtures Fluid Phase Equilib. 1996, 116, 537-544
11. 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, 22-29
12. Oliveira, M. B.; Teles, A. R. R.; 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, 1419-1427
13. 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, 4278-4285
14. Tamouza, S.; Passarello, J.-P.; Tobaly, P.; de Hemptinne, J.-C. Application to binary mixtures of a group contribution SAFT EOS (GC-SAFT) Fluid Phase Equilib. 2005, 228-229, 409-419
15. Tamouza, S. Utilisation Preédictive de l'Equation d'Etat SAFT; Ph.D. Thesis; Universiteé Paris13: Paris, France, 2004.
16. Nguyen Thi, T. X.; Tamouza, S.; Tobaly, P.; Passarello, J.-P.; de Hemptinne, J.-C. Application of group contribution SAFT equation of state (GC-SAFT) to model phase behaviour of light and heavy esters Fluid Phase Equilib. 2005, 238, 254-261
17. Nguyen Huynh, D. Modeélisation Thermodynamique de Meélanges Symeétriques et Asymeétriques de Composeés Polaires Oxygeéneés et/ou Aromatiques par GC-SAFT; Ph.D. Thesis; Universiteé Paris13: Paris, France, 2008.
18. Barreau, A.; Mougin, P.; Lefebvre, C.; Luu Thi, Q. M.; Rieu, J. Ternary isobaric vapor-liquid equilibria of methanol + N-methyldiethnolamine + water and methanol + 2-amino-2-methyl-1-propanol + water systems J. Chem. Eng. Data 2007, 52, 769-773
19. Valtz, A.; Gicquel, L.; Coquelet, C.; Richon, D. Vapor-liquid equilibrium data for the difluoromethane (R32)-dimethylether (RE170) system at temperatures from 283.03 to 363.21 K and pressures up to 5.5 MPa Fluid Phase Equilib. 2005, 230, 184-191
20. Laugier, S.; Richon, D. New apparatus to perform fast determinations of mixture vapor-liquid equilibria up to 10 MPa and 423 K Rev. Sci. Instrum. 1986, 57, 469-472
21. 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, 2193-2211
22. Economou, I. G. Statistical associating fluid theory: A succesful model for the calculation of thermodynamic and Phase equilibrium properties of complex mixtures Ind. Eng. Chem. Res. 2002, 41, 953-962
23. Tan, S. P.; Adidharma, H.; Radosz, M. Recent advances and applications of statistical associating fluid theory Ind. Eng. Chem. Res. 2008, 47, 8063-8082
24. de Hemptinne, J. C.; Mougin, P.; Barreau, A.; Ruffine, L.; Tamouza, S.; Inchekel, R. Application to petroleum engineering of statistical thermodynamics-Based equations of state Oil Gas Sci. Technol. Rev. l'Institut Franȩais Peétrole 2006, 61, 363-386
25. Jog, P.; Chapman, W. G. Application of Wertheim's thermodynamic perturbation theory to dipolar hard sphere chains Mol. Phys. 1999, 97, 307-319
26. Tumakaka, F.; Gross, J.; Sadowski, G. Thermodynamic modelling of complex systems using PC-SAFT Fluid Phase Equilib. 2005, 228-229, 89-98
27. Karakatsani, E. K.; Economou, I. G. Perturbed chain-statistical associating fluid theory extended to dipolar and quadrupolar molecular fluids J. Phys. Chem. B 2006, 110, 9252-9261
28. Nguyen Huynh, D.; Passarello, J.-P.; Tobaly, P.; de Hemptinne, J.-C. Application of GC-SAFT EOS to polar systems using a segment approach Fluid Phase Equilib. 2008, 264, 62-75
29. Design Institute for Physical Property Data. DIADEM Professional 3.0.0; BYU DIPPR Lab, 2008, edition.
30. ij. Investigation of the association scheme for methanol. Fluid Phase Equilib. 2010, submitted for publication.
31. Chelli, R.; Gervasio, F. L.; Gellini, C.; Procacci, P.; Cardini, G.; Schettino, V. Density functional calculations of structural and vibrational properties of glycerol J. Phys. Chem. A 2000, 104, 5351-5357
32. Derawi, S. O.; Kontogeorgis, G. M.; Michelsen, M. L.; Stenby, E. H. Extension of the cubic-plus-association equation of state to glycol-water cross-associating systems Ind. Eng. Chem. Res. 2003, 42, 1470-1477
33. Oliveira, M. B.; Miguel, S. I.; Queimada, A. J.; Coutinho, J. A. P. Phase equilibria of ester + alcohol systems and their description with the CPA equation of state Ind. Eng. Chem. Res. 2010, 49, 3452-3458
34. Korgitzsch, F. M. Study of Phase Equilibria as a Fundament for the Refinement of Vegetable and Animal Fats and Oils; Ph.D. Thesis; TU Berlin, 1993.