Application of simplified PC-SAFT to glycol ethers

Industrial and Engineering Chemistry Research

Volumn 51, Issue 1, 2012, Pages 547-555

  Avlund, Ane S ^a   Kontogeorgis, Georgios M ^a   Michelsen, Michael L ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

2-ETHOXYETHANOL; 2-METHOXYETHANOL; ASSOCIATION MODELS; CLOSED-LOOP; EQUATION OF STATE; GLYCOL ETHERS; INTRAMOLECULAR ASSOCIATION; LIQUID LIQUID EQUILIBRIUM; PC-SAFT; VAPOR-LIQUID;

BINARY MIXTURES; EQUATIONS OF STATE; ETHERS; GLYCOLS; ORGANIC COMPOUNDS; WATER VAPOR;

LIQUIDS;

EID: 84855791943     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie2011406     Document Type: Article

References (36)

1. Jackson, G.; Chapman, W.; Gubbins, K. Phase equilibria of associating fluids. Spherical molecules with multiple bonding sites Mol. Phys. 1988, 65, 1-31
2. Chapman, W. G.; Jackson, G.; Gubbins, K. E. Phase equilibria of associating fluids: chain molecules with multiple bonding sites Mol. Phys. 1988, 65, 1057-79
3. Chapman, W. G.; Gubbins, K. E.; Jackson, G.; Radosz, M. SAFT: Equation-of-state solution model for associating fluids Fluid Phase Equilib. 1989, 52, 31-38 (Pubitemid 20652382)
4. Avlund, A. S. Extension of association models to complex chemicals. Ph.D. thesis, Technical University of Denmark, 2011.
5. Avlund, A. S.; Kontogeorgis, G. M.; Chapman, W. G. Intramolecular association within the SAFT framework Mol. Phys. 2011, 109, 1759-1769
6. Missopolinou, D.; Panayiotou, C. On intramolecular and intermolecular hydrogen bonding Fluid Phase Equilib. 1999, 156, 51-56 (Pubitemid 29331839)
7. Missopolinou, D.; Ioannou, K.; Prinos, I.; Panayiotou, C. Thermodynamics of alkoxyethanol+alkane mixtures Z. Phys. Chem. 2002, 216, 905-918
8. Missopolinou, D.; Tsivintzelis, I.; Panayiotou, C. Phase compositions and saturated densities for the binary system of carbon dioxide with 2-ethoxyethanol Fluid Phase Equilib. 2005, 238, 204-209 (Pubitemid 41681699)
9. Missopolinou, D.; Tsivintzelis, I.; Panayiotou, C. Excess enthalpies of binary mixtures of 2-ethoxyethanol with four hydrocarbons at 298.15, 308.15, and 318.15K Fluid Phase Equilib. 2006, 245, 89-101
10. Garrido, N.; Folas, G.; Kontogeorgis, G. Modelling of phase equilibria of glycol ethers mixtures using an association model Fluid Phase Equilib. 2008, 273, 11-20
11. Garcia-Lisbona, M.; Galindo, A.; Jackson, G.; Burgess, A. Predicting the high-pressure phase equilibria of binary aqueous solutions of 1-butanol, n-butoxyethanol and n-decylpentaoxyethylene ether (C10E5) using the SAFT-HS approach Mol. Phys. 1998, 93, 57-71 (Pubitemid 128480204)
12. Von Solms, N.; Michelsen, M. L.; Kontogeorgis, G. M. Computational and physical performance of a modified PC-SAFT equation of state for highly asymmetric and associating mixtures Ind. Eng. Chem. Res. 2003, 42, 1098-1105 (Pubitemid 36329150)
13. Brinkley, R. L.; Gupta, R. B. Intra- and intermolecular hydrogen bonding of 2-methoxyethanol and 2-butoxyethanol in n-hexane Ind. Eng. Chem. Res. 1998, 37, 4823-4827 (Pubitemid 29133147)
14. Sear, R.; Jackson, G. Thermodynamic perturbation theory for association into chains and rings Phys. Rev. E 1994, 50, 386-94
15. Ghonasgi, D.; Chapman, W. Competition between intermolecular and intramolecular association in flexible hard chain molecules J. Chem. Phys. 1995, 102, 2585-2592
16. Huang, S.; Radosz, M. Equation of state for small, large, polydisperse, and associating molecules Ind. Eng. Chem. Res. 1990, 29, 2284-2294
17. Yarrison, M.; Chapman, W. A systematic study of methanol + n -alkane vapor-liquid and liquid-liquid equilibria using the CK-SAFT and PC-SAFT equations of state Fluid Phase Equilib. 2004, 226, 195-205 (Pubitemid 39575417)
18. Avlund, A. S.; Eriksen, D. K.; Kontogeorgis, G. M.; Michelsen, M. L. Application of association models to mixtures containing alkanolamines Fluid Phase Equilib. 2011, 306, 31-37
19. Rowley, R.; Wilding, W.; Oscarson, J.; Yang, Y.; Giles, N. DIPPR Data Compilation of Pure Chemical Properties: Design Institute for Physical Properties; AIChE: New York, NY, 2010.
20. Gross, J.; Sadowski, G. Perturbed-chain SAFT: An equation of state based on a perturbation theory for chain molecules Ind. Eng. Chem. Res. 2001, 40, 1244
21. Dolch, E.; Matovu, A.; Lichtenthaler, R. VLE and LLE in binary 2-methoxyethanol/alkane systems Fluid Phase Equilib. 1986, 29, 257-264 (Pubitemid 17517771)
22. Bijl, H.; Deloos, T. W.; Lichtenthaler, R. N. Liquid-liquid equilibria in 2-methoxyethanol + alkane systems. 1. Experimental results at pressures up to 400 MPa Fluid Phase Equilib. 1985, 22, 321-342
23. Murti, P.; Van Winkle, M. Vapor-liquid equilibria and heat of mixing-normal-octane-ethylbenzene-cellosolve system AICHE J. 1957, 3, 517-522
24. Rubio, M.; Gonzalez, J.; de la Fuente, I.; Cobos, J. Thermodynamic properties of n-alkoxyethanols plus organic solvent mixtures. IX. Liquid-liquid equilibria of systems containing 2-methoxyethanol or 2-ethoxyethanol and selected n-alkanes J. Chem. Eng. Data 1998, 43, 811-814 (Pubitemid 128594300)
25. Komatsu, H.; Suzuki, I.; Ishikawa, T.; Mizukami, K. Kogyo Kagaku Zasshi 1969, 72, 1417
26. Suresh, S. J.; Elliott, J. Multiphase equilibrium analysis via a generalized equation of state for associating mixtures Ind. Eng. Chem. Res. 1992, 31, 2783-2794 (Pubitemid 23600641)
27. Grenner, A.; Kontogeorgis, G.; von Solms, N.; Michelsen, M. Modeling phase equilibria of alkanols with the simplified PC-SAFT equation of state and generalized pure compound parameters Fluid Phase Equilib. 2007, 258, 83-94 (Pubitemid 47088090)
28. Chandak, B.; Nageshwar, G.; Mene, P. Vapor-liquid-equilibria, excess enthalpy and volume and viscosity of normal-propanol-methyl cellosolve Indian J. Technol. 1977, 15, 146-149 (Pubitemid 8589201)
29. Grenner, A.; Schmelzer, J.; von Solms, N.; Kontogeorgis, G. M. Comparison of two association models (Elliott-Suresh-Donohue and Simplified PC-SAFT) for complex phase equilibria of hydrocarbon-water and amine-containing mixtures Ind. Eng. Chem. Res. 2006, 45, 8170-8179 (Pubitemid 44876454)
30. Chiavone-Filhi, O.; Proust, P.; Rasmussen, P. Vapor-liquid equilibria for glycol ether + water systems J. Chem. Eng. Data 1993, 38, 128-131 (Pubitemid 23682459)
31. Boublik, T.; Kuchynka, K. Chem. Listy 1956, 50, 1181
32. Schneider, G.; Wilhelm, G. Z. Phys. Chem. 1959, 20, 219
33. Aizpiri, A.; Monroy, F.; del Campo, C.; Rubio, R.; Peña, M. Range of simple scaling and critical amplitudes near a LCST-the 2-butoxyethanol plus water-system Chem. Phys. 1992, 165, 31-39
34. Schneider, G. Drückeinflüss auf die Entmischung flüssiger Systeme, I Geschlossene Mischungslücken bis 5000 bar Z. Phys. Chem. (Muenchen, Ger.) 1963, 37, 333-352
35. Knudsen, K.; Stenby, E. H.; Andersen, J. G. Modeling the influence of pressure on the phase-behavior of systems containing water, oil and nonionic surfactants Fluid Phase Equilib. 1994, 93, 55-74
36. Michelsen, M.; Hendriks, E. Physical properties from association models Fluid Phase Equilib. 2001, 180, 165-174 (Pubitemid 32448179)