Modeling the phase behavior of ternary systems ionic liquid + organic + c02 with a group contribution equation of state

AIChE Journal

Volumn 55, Issue 5, 2009, Pages 1265-1273

  Kühne, Eliane ^a   Martin, Angel ^b   Witkamp, Geert Jan ^a   Peters, Cor J ^a,c  

^a DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b UNIVERSITY OF VALLADOLID   (Spain)

^c KHALIFA UNIVERSITY   (United Arab Emirates)

Author keywords

1 buty1 3 methylimidazolium tetrafluoroborate; Bmim BF4 ; CO2; Group contribution; Thermodynamic modeling

Indexed keywords

1-BUTY1-3-METHYLIMIDAZOLIUM TETRAFLUOROBORATE; BMIM[BF4]; CO2; GROUP CONTRIBUTION; THERMODYNAMIC MODELING;

EQUATIONS OF STATE; ETHANOL; IONIC LIQUIDS; IONIZATION OF LIQUIDS; KETONES; PHASE BEHAVIOR; THERMODYNAMICS; VAPOR PRESSURE; VAPORS;

TERNARY SYSTEMS;

EID: 65549166516     PISSN: 00011541     EISSN: 15475905     Source Type: Journal    
DOI: 10.1002/aic.11732     Document Type: Article

References (30)

1. Earle MJ, Esperança JMSS, Gilea MA, Lopes JNC, Rebelo LPN, Magee JW, Seddon KR, Widegren JA. The distillation and volatility of ionic liquids. Nature. 2006;439:831-834.
2. Wasserscheid P, Welton T. Ionic Liquids in Synthesis, 1st ed. Wein-heim, Germany: Wiley-VCH, 2003.
3. 2 as a separation switch for ionic liquid/organic mixtures. J Am Chem Soc. 2002; 124:10276-10277.
4. Bara JE, Lessmann S, Gabriel CJ, Hatakeyama ES, Noble RD, Gin DL. Synthesis and performance of polymerizable room-temperature ionic liquids as gas separation membranes. Ind Eng Chem Res. 2007;46:5397-5404.
5. 2 and conversion enhancement for the esterification of acetic acid with ethanol in ionic liquid. J Phys Chem B. 2005;109:16176-16179.
6. Kroon MC, Spronsen JV, Peters CJ, Sheldon RA, Witkamp GJ. Recovery of pure products from ionic liquids using supercritical carbon dioxide as a co-solvent in extractions or as an anti-solvent in precipitations. Green Chem. 2006;8:246-249.
7. Shariati A, Peters CJ. High-pressure phase behavior of systems with ionic liquids: measurements and modeling of the binary system fluo-roform+1-ethy1-3- methylimidazolium hexafluorophosphate. J Super-crit Fluids. 2003;25:109-117.
8. ∞ data and prediction of their thermodynamic behavior using original UNIFAC, mod. UMFAC(Do) and COSMO-RS(O1). J Chem Thermodyn. 2005;37:603-619.
9. Kroon MC, Karakatsani EK, Economou IG, Witkamp G-J, Peters CJ. Modeling of the carbon dioxide solubility in imidazolium-based ionic liquids with the tPC-PSAFT equation of state. J Phys Chem B. 2006; 110:9262-9269.
10. 4]. Ind Eng Chem Res. 2005;44:4453-4464.
11. 6]. AIChE J. 2006;52:3952-3957.
12. Alonso L, Arce A, Francisco M, Rodríguez O, Soto A. Liquid-liquid equilibria for systems composed by 1-methy1-3-octylimidazolium tetrafluoroborate ionic liquid, thiophene, and n-hexane or cyclohex-ane. J Chem Eng Data. 2007;52:1729-1732.
13. Freire MG, Santos LMNBF, Marrucho IM, Coutinho JAP. Evaluation of COSMO-RS for the prediction of LLE and VLE of alcohols + ionic liquids. Fluid Phase Equilib. 2007;255:167-178.
14. 6] from Monte Carlo simulations. J Phys Chem B. 2005;109:12154-12159.
15. Breure B, Bottini SB, Witkamp GJ, Peters CJ. Thermodynamic modeling of the phase behavior of binary systems of ionic liquids and carbon dioxide with the group contribution equation of state. J Phys Chem B. 2007;111:14265-14270.
16. Skjold-Jorgensen S. Gas solubility calculations. II. Application of a new group-contribution equation of state. Fluid Phase Equilib. 1984;16:317-351.
17. Skjold-Jorgensen S. Group contribution equation of state (GC-EOS): a predictive method for phase equilibrium computations over wide ranges of temperature and pressures up to 30 MPa. Ind Eng Chem Res. 1988;27:110-118.
18. Mansoori GA, Leiand TW. Statistical thermodynamics of mixtures. A new version for the theory of conformai solution. J Chem Soc Faraday Trans 2. 1972;68:320-344.
19. Reid RC, Prausnitz JM. The Properties of Gases and Liquids, 4th ed. Singapore: McGraw-Hill, 1987.
20. Espinosa S, Fornari T, Bottini SB, Brignole EA. Phase equilibria in mixtures of fatty oils and derivatives with near critical fluids using the GC-EOS model. J Supercrit Fluids. 2002;23:91-102.
21. Espinosa S, Diaz S, Brignole EA. Thermodynamic modeling and process optimization of supercritical fluid fractionation of fish oil fatty acid ethyl esters. Ind Eng Chem Res. 2002;41:1516-1527.
22. Lide DR, editor. CRC Handbook of Chemistry and Physics, 88th ed (Internet Version 2008). Boca Raton: CRC Press/Taylor and Francis, 2008.
23. Kroon MC, Shariati A, Costantini M, Spronsen JV, Witkamp GJ, Sheldon RA, Peters CJ. High-pressure phase behavior of systems with ionic liquids. Part V: The binary system carbon dioxide + 1-buty1-3-methylimidazolium tetrafluoroborate. J Chem Eng Data. 2005;50:173-176.
24. Kühne E, Santarossa S, Perez E, Witkamp GJ, Peters CJ. New approach in the design of reactions and separations using an ionic liquid and carbon dioxide as solvents: phase equilibria in two selected ternary systems. J Supercrit Fluids. 2008;46:93-98.
25. Kühne E, Perez E, Witkamp GJ, Peters CJ. Solute influence on the high-pressure phase equilibrium of ternary systems with carbon dioxide and an ionic liquid. J Supercrit Fluids. 2008;45:27-31.
26. Kühne E, Saez Calvo E, Witkamp GJ, Peters CJ. Fluid phase behaviour of the ternary system bmim[BF4] + 1-(4-isobutylphenyl)-etha-nol + carbon dioxide. J Supercrit Fluids. 2008;45:293-297.
27. 2. Green Chem. 2008;10:897-1012.
28. 2. Green Chem. 2008.
29. 2. Nature. 1999;399:28-29.
30. Gros HP, Bottini S, Brignole EA. A group contribution equation of state for associating mixtures. Fluid Phase Equilib. 1996;116:537-544.