Extension of COSMO-RS for monoatomic electrolytes: Modeling of liquid-liquid equilibria in presence of salts

Fluid Phase Equilibria

Volumn 314, Issue , 2012, Pages 29-37

  Ingram, Thomas ^a   Gerlach, Thomas ^a   Mehling, Tanja ^a   Smirnova, Irina ^a  

^a HAMBURG UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

COSMO RS; Electrolytes; Liquid liquid equilibria; Salting out effect

Indexed keywords

AQUEOUS-ORGANIC SYSTEMS; CATION HYDRATION; COSMO-RS; ELEMENT SPECIFIC; EXPERIMENTAL DATA; ION-ION INTERACTION; LIQUID LIQUID EQUILIBRIUM; LIQUID-LIQUID EQUILIBRIA; MEAN IONIC ACTIVITY COEFFICIENT; MIXED-SOLVENT SYSTEMS; PARTITION COEFFICIENT; SALTING OUT EFFECTS;

ELECTROLYTES; HYDROGEN; HYDROGEN BONDS; LITHIUM; PARAMETERIZATION; PHASE SEPARATION; POSITIVE IONS; THERMODYNAMIC PROPERTIES;

LIQUIDS;

EID: 83655161393     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2011.09.021     Document Type: Article

References (48)

1. Klamt A., Eckert F., Arlt W. Annu. Rev. Chem. Biomol. Eng. 2010, 1:101-122.
2. Putnam R., Taylor R., Klamt A., Eckert F., Schiller M. Ind. Eng. Chem. Res. 2003, 42:3635-3641.
3. Diedenhofen M., Klamt A. Fluid Phase Equilib. 2010, 294:31-38.
4. Mokrushina L., Buggert M., Smirnova I., Arlt W., Schomäcker R. Ind. Eng. Chem. Res. 2007, 46:6501-6509.
5. Kiepe J., Noll O., Gmehling J. Ind. Eng. Chem. Res. 2006, 45:2361-2373.
6. Takamuku T., Noguchi Y., Yoshikawa E., Kawaguchi T., Matsugami M., Otomo T. J. Mol. Liq. 2007, 131-132:131-138.
7. Takamuku T., Yamaguchi A., Matsuo D., Tabata M., Yamaguchi T., Otomo T., Adachi T. J. Phys. Chem. B 2001, 105:10101-10110.
8. Prausnitz J.M., Lichtenthaler R.N., de Gomes Azevedo E. Molecular Thermodynamics of Fluid-Phase Equilibria 1999, Prentice-Hall, Inc, New Jersey. 3rd ed.
9. Fürst W., Renon H. AIChE J. 1993, 39:335-343.
10. Myers J.A., Sandler S.I., Wood R.H. Ind. Eng. Chem. Res. 2002, 41:3282-3297.
11. Held C., Cameretti L.F., Sadowski G. Fluid Phase Equilib. 2008, 270:87-96.
12. Pitzer K.S. J. Phys. Chem. 1973, 77:268-277.
13. Chen C.-C., Britt H.I., Boston J.F., Evans L.B. AIChE J. 1982, 28:588-596.
14. Liu Y., Harvey A.H., Prausnitz J.M. Chem. Eng. Commun. 1989, 77:43-66.
15. Li J., Polka H.-M., Gmehling J. Fluid Phase Equilib. 1994, 94:89-114.
16. Yan W., Topphoff M., Rose C., Gmehling J. Fluid Phase Equilib. 1999, 162:97-113.
17. Zerres H., Prausnitz J.M. AIChE J. 1994, 40:676-691.
18. Robinson R.A., Stokes R.H. Electrolyte Solutions 2002, Dover Publ., Mineola, NY. 2nd ed.
19. Hsieh M.-T., Lin S.-T. AIChE J. 2011, 57:1061-1074.
20. Wang S., Song Y., Chen C.-C. Ind. Eng. Chem. Res. 2011, 50:176-187.
21. Klamt A., Jonas V., Burger T., Lohrenz J.C.W. J. Phys. Chem. A 1998, 102:5074-5085.
22. Klamt A., Eckert F. Fluid Phase Equilib. 2000, 172:43-72.
23. Ingram T., Richter U., Mehling T., Smirnova I. Fluid Phase Equilib. 2011, 305:197-203.
24. Eckert F., Klamt A. COSMOtherm 2009, COSMOlogic GmbH & Co., KG, Leverkusen, Germany.
25. J. Reinisch, Wasserstoffbrückenbindungen atomarer Ionen. Personal communication.
26. Pitzer K.S. J. Am. Chem. Soc. 1980, 102:2902-2906.
27. de Cardoso M.J.E., O'Connell J.P. Fluid Phase Equilib. 1987, 33:315-326.
28. Lee L.L. J. Mol. Liq. 2000, 87:129-147.
29. Bollas G.M., Chen C.C., Barton P.I. AIChE J. 2008, 54:1608-1624.
30. Perry R.H., Green D.W. Perry's Chemical Engineers' Handbook 2008, McGraw-Hill, New York. 8th ed.
31. Maryott A., Smith E.R. National Bureau of Standards Circular 1951.
32. Hamer W.J., Wu Y.-C. J. Phys. Chem. Ref. Data 1972, 1047-1099.
33. Lobo V.M. Handbook of Electrolyte Solutions 1989, Elsevier, Amsterdam.
34. Lagarias J.C., Reeds J.A., Wright M.H., Wright P.E. SIAM J. Optim. 1998, 9:112-147.
35. Walas S.M. Phase Equilibria in Chemical Engineering 1985, Butterworth, Boston.
36. Born M. Z. Phys. 1920, 1.
37. Held C., Sadowski G. Fluid Phase Equilib. 2009, 279:141-148.
38. Robinson R.A., Harned H.S. Chem. Rev. 1941, 28:419-476.
39. Basili A., Mussini P.R., Mussini T., Rondinini S. J. Chem. Thermodyn. 1996, 28:923-933.
40. Deyhimi F., Ghalami-Choobar B., Salamat-Ahangari R. J. Mol. Liq. 2005, 116:93-97.
41. deSantis R., Marrelli L., Musketta P.N. J. Chem. Eng. Data 1976.
42. Renard J.A., Heichelheim H.R. J. Chem. Eng. Data 1967, 12:33-36.
43. Shannon R.D., Prewitt C.T. Acta Cryst. 1969, 25:925-946.
44. Schmid R., Miah A.M., Sapunov V.N. Phys. Chem. Chem. Phys. 2000, 2:97-102.
45. Esteso M.A., Gonzalez-Diaz O.M., Hernandez-Luis F.F., Fernandez-Merida L. J. Solution Chem. 1989, 18:277-288.
46. Hernández-Hernández F., Pérez-Villaseñor F., Hernández-Ruiz V., Iglesias-Silva G. J. Chem. Eng. Data 2007, 52:959-964.
47. Deyhimi F., Ghalami-Choobar B. J. Mol. Liq. 2005, 122:116-120.
48. Manzoni A., Mussini P.R., Mussini T. J. Chem. Thermodyn. 2000, 32:107-122.