Liquid-liquid equilibrium in ternary ionic liquid systems by UNIFAC: New volume, surface area and interaction parameters. Part II

Fluid Phase Equilibria

Volumn 303, Issue 2, 2011, Pages 111-114

  Santiago, Rílvia S ^a   Aznar, Martín ^b  

^a FEDERAL UNIVERSITY OF CEARÁ   (Brazil)

^b UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Ionic liquids; Liquid liquid equilibria; Quantum mechanics calculation; UNIFAC; Volume and surface parameters

Indexed keywords

DENSITY FUNCTIONAL THEORY; FUNCTIONAL GROUPS; IONS; MECHANICS; OPTIMIZATION; PHASE EQUILIBRIA; QUANTUM THEORY; SOLVENT EXTRACTION; TERNARY SYSTEMS;

EMPIRICAL CORRELATIONS; EQUILIBRIUM MOLE FRACTION; GROUP-CONTRIBUTION; INTERACTION PARAMETERS; LIQUID EXTRACTION; LIQUID LIQUID EQUILIBRIUM; LIQUID SYSTEM; LIQUID-LIQUID EQUILIBRIA; LLE DATA; MOLECULAR GEOMETRIES; NRTL MODEL; POLARIZABLE CONTINUUM METHODS; QUANTUM MECHANICS; ROOT MEAN SQUARE DEVIATIONS; STRUCTURAL GROUPS; STRUCTURAL PARAMETER; SURFACE AREA; THERMODYNAMIC MODELING; UNIFAC; UNIFAC METHOD; UNIQUAC; UNIQUAC MODELS; VOLUME AND SURFACE PARAMETERS;

IONIC LIQUIDS;

EID: 84962439727     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2010.12.006     Document Type: Article

References (69)

1. Brennecke J.F., Maginn E.J. AIChE J. 2001, 47:2384-2389.
2. Letcher T.M., Soko B., Reddy P. J. Chem. Eng. Data 2003, 48:1587-1590.
3. Letcher T.M., Deenadayalu N. J. Chem. Thermodyn. 2003, 35:67-76.
4. Letcher T.M., Reddy P. Fluid Phase Equilib. 2004, 219:107-112.
5. Arce A., Rodríguez O., Soto A. J. Chem. Eng. Data 2004, 49:514-517.
6. Arce A., Rodriguez O., Soto A. Ind. Eng. Chem. Res. 2004, 43:8323-8327.
7. Jork C., Seiler M., Beste Y.A., Artl W. J. Chem. Eng. Data 2004, 49:852-857.
8. Letcher T.M., Reddy P. J. Chem. Thermodyn. 2005, 37:415-421.
9. Hu X., Yu J., Liu H. J. Chem. Eng. Data 2006, 51:691-695.
10. Deenadayalu N., Ngcongo K.C., Letcher T.M., Ramjugernath D. J. Chem. Eng. Data 2006, 51:988-991.
11. Arce A., Rodriguez O., Soto A. Chem. Eng. J. 2006, 115:219-223.
12. Arce A., Rodriguez O., Soto A. Fluid Phase Equilib. 2006, 242:164-168.
13. Arce A., Rodriguez O., Soto A. Chem. Eng. Sci. 2006, 61:6929-6935.
14. Meindersma G.W., Podt A., Haan A.B. J. Chem. Eng. Data 2006, 51:1814-1819.
15. Meindersma G.W., Podt A., Haan A.B. Fluid Phase Equilib. 2006, 247:158-168.
16. Pereiro A.B., Tojo E., Rodriguez A., Canosa J., Tojo J. Green Chem. 2006, 8:307-310.
17. Sahandzhieva K., Tuma D., Silke B., Pérez-Salado Kamps A., Maurer G. J. Chem. Eng. Data 2006, 51:1516-1525.
18. Alonso L., Arce A., Francisco M., Soto A. AIChE J. 2007, 53:3108-3115.
19. Alonso L., Arce A., Francisco M., Soto A. J. Chem. Eng. Data 2007, 52:2409-2412.
20. Arce A., Earle M.J., Rodriguez H., Seddon K.R. Green Chem. 2007, 9:70-74.
21. Pereiro A.B., Canosa J., Rodriguez A. Fluid Phase Equilib. 2007, 254:150-157.
22. Pereiro A.B., Rodriguez A. J. Chem. Thermodyn. 2007, 39:1608-1613.
23. Pereiro A., Rodríguez A. J. Chem. Eng. Data 2007, 52:2138-2142.
24. Naydenov D., Bart H.J. J. Chem. Eng. Data 2007, 52:2375-2381.
25. Hernández-Fernández F.J., Ríos A.P., Gómez D., Rubio M., Tomás-Alonso F., Villora G. Fluid Phase Equilib. 2008, 263:190-198.
26. Maduro R.M., Aznar M. Fluid Phase Equilib. 2008, 265:129-138.
27. Hu X., Li Y., Cui D., Chen B. J. Chem. Eng. Data 2008, 53:427-433.
28. Alonso L., Arce A., Francisco M., Soto A. J. Chem. Thermodyn. 2008, 40:265-270.
29. Alonso L., Arce A., Francisco M., Soto A. J. Chem. Thermodyn. 2008, 40:966-972.
30. Alonso L., Arce A., Francisco M., Soto A. Fluid Phase Equilib. 2008, 263:176-181.
31. Alonso L., Arce A., Francisco M., Soto A. Fluid Phase Equilib. 2008, 270:97-102.
32. Alonso L., Arce A., Francisco M., Soto A. J. Chem. Eng. Data 2008, 53:1750-1755.
33. Pereiro A.B., Rodriguez A. J. Chem. Eng. Data 2008, 53:1360-1366.
34. Pereiro A.B., Rodriguez A. J. Chem. Thermodyn. 2008, 40:1282-1289.
35. Simoni L.D., Lin Y., Brennecke J.F., Stadtherr M.A. Ind. Eng. Chem. Res. 2008, 47:256-272.
36. Wang R., Wang J., Meng H., Li C., Wang Z. J. Chem. Eng. Data 2008, 53:1159-1162.
37. González E.J., Calvar N., González B., Domínguez A. J. Chem. Thermodyn. 2009, 41:1215-1221.
38. García J., Fernández A., Torrecilla J.S., Oliet M., Rodríguez F. Fluid Phase Equilib. 2009, 282:117-120.
39. García J., Fernández A., Torrecilla J.S., Oliet M., Rodríguez F. J. Chem. Eng. Data 2010, 55:258-261.
40. Lu Y., Yang X., Luo G. J. Chem. Eng. Data 2010, 55:510-512.
41. González E.J., Calvar N., Gómez E., Domínguez A. J. Chem. Thermodyn. 2010, 42:104-109.
42. Renon H., Prausnitz J.M. AIChE J. 1968, 14:135-144.
43. Abrams D.S., Prausnitz J.M. AIChE J. 1975, 21:116-128.
44. Banerjee T., Singh M.K., Sahoo R.K., Khanna A. Fluid Phase Equilib. 2005, 234:64-76.
45. Sahoo R.K., Banerjee T., Khanna A. Can. J. Chem. Eng. 2007, 85:833-853.
46. Santiago R.S., Santos G.R., Aznar M. Fluid Phase Equilib. 2009, 278:54-61.
47. Santiago R.S., Santos G.R., Aznar M. Fluid Phase Equilib. 2010, 293:66-72.
48. Kato R., Gmehling J. Fluid Phase Equilib. 2005, 231:38-43.
49. Domanska U., Marciniak A. J. Phys. Chem. B 2004, 108:2376-2382.
50. Fredenslund Aa., Gmehling J., Rasmussen P. Vapour-Liquid Equilibria Using UNIFAC 1977, Elsevier, Amsterdam.
51. Kojima K., Tochigi K. Prediction of Vapor-Liquid Equilibria by the ASOG Method 1979, Elsevier/Kodansha, Tokyo.
52. Lei Z., Zhang J., Li Q., Chen B. Ind. Eng. Chem. Res. 2009, 48:2697-2704.
53. Alevizou E.I., Pappa G.D., Voutsas E.C. Fluid Phase Equilib. 2009, 284:99-105.
54. Robles P.A., Graber T.A., Aznar M. Fluid Phase Equilib. 2009, 287:43-49.
55. Santiago R.S., Santos G.R., Aznar M. Fluid Phase Equilib. 2010, 295:93-97.
56. Becke A.D. J. Chem. Phys. 1993, 98:5648-5652.
57. Lee C., Yang W., Parr R.G. Phys. Rev. B 1988, 37:785-789.
58. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterki J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Marin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Gonzales C., Challacombe M., Gill P.M.W., Johnson B.G., Chen W., Wong M.W., Andes J.L., Head-Gordon M., Replogle E.S., Pople J.A. Gaussian 03 (Revision D.1) 2005, Gaussian, Inc., Wallingford, CT.
59. Tomasi J., Miertus S., Scrocco E. Chem. Phys. 1981, 55:117-129.
60. Cammi R., Tomasi J. J. Comp. Chem. 1995, 16:1449-1458.
61. Mennucci B., Cances E., Tomasi J. J. Phys. Chem. B 1997, 101:10506-10517.
62. Nilsson O., Pascual-Ahuir J.L., Tapia O. J. Mol. Graph. 1990, 8:168-172.
63. Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J.H., Koseki S., Matsunaga N., Nguyen K.A., Su S.J., Windus T.L., Dupuis M., Montgomery J.A. J. Comput. Chem. 1993, 14:1347-1363.
64. Magnussen T., Rasmussen P., Fredenslund Aa. Ind. Eng. Chem. Process Des. Dev. 1981, 20:331-339.
65. Bondi A. J. Phys. Chem. 1964, 68:441-451.
66. L. Stragevitch, Liquid-liquid equilibrium in non-electrolyte systems, D.Sc. Thesis, University of Campinas, Campinas, 1997 (in Portuguese).
67. Stragevitch L., d'Ávila S.G. Braz. J. Chem. Eng. 1997, 14:41-52.
68. Nelder J.A., Mead R. Comput. J. 1965, 7:308-313.
69. Sørensen J.M., Magnussen T., Rasmussen P., Fredenslund Aa. Fluid Phase Equilib. 1979, 3:47-82.