A new development in the application of the group contribution associating equation of state to model solid solubilities of phenolic compounds in SC-CO2

Industrial and Engineering Chemistry Research

Volumn 44, Issue 21, 2005, Pages 8147-8156

  Fornari, Tiziana ^a   Chafer, Amparo ^b   Stateva, Roumiana P ^c   Reglero, Guillermo ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^b UNIVERSITY OF VALENCIA   (Spain)

^c INSTITUTE OF CHEMICAL ENGINEERING   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; ETHERS; MATHEMATICAL MODELS; MOLECULES;

AROMATIC ETHERS; SOLID PHENOLIC COMPOUNDS;

PHENOLS;

PHENOL; SOLUBILITY;

EID: 27544472978     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie050443h     Document Type: Article

References (38)

1. Mendez-Santiago, J.; Teja, A. S. Solubility of Solids in Supercritical Fluids: Consistency of Data and a New Model for Cosolvent Systems. Ind. Eng. Chem. Res. 2000, 39, 4767.
2. Christov, M.; Dohrn, R. High-pressure fluid phase equilibria. Experimental Methods and Systems Investigated (1994-1999). Fluid Phase Equilib. 2002, 202, 153.
3. Huang, Ch.; Tang, M.; Tao, W.-H.; Chen, Y.-P. Calculation of the Solid Solubilities in Supercritical Carbon Dioxide Using a Modified Mixing Model. Fluid Phase Equilib. 2001, 179, 67.
4. Škerget, M.; Novak-Pintarič, Z.; Knez, Ž.; Kravanja, Z. Estimation of Solid Solubilities in Supercritical Carbon Dioxide: Peng-Robinson Adjustable Binary Parameters in the Near Critical Region. Fluid Phase Equilib. 2002, 203, 111.
5. Coutsikos, P.; Magoulas, K.; Kontogeorgis, G. M. Prediction of Solid-Gas Equilibria with the Peng-Robinson Equation of State. J. Supercrit. Fluids 2003, 25, 197.
6. Gros, H. P.; Bottini, S. B.; Brignole, E. A. High-Pressure Phase Equilibrium Modeling of Mixtures Containing Associating Compounds and Gases. Fluid Phase Equilib. 1997, 139, 75.
7. Ferreira, O.; Fornari, T.; Brignole, E. A.; Bottini, S. B. Modeling of Association Effects in Mixtures of Carboxylic Acids with Associating and Nonassociating Components. Lat. Am. Appl. Res. 2003, 33, 217.
8. Prausnitz, J. M.; Lichtenthaler, R. N.; Azevedo, E. G. Molecular Thermodynamics of Fluid-Phase Equilibria; Prentice Hall: Englewood Cliffs, NJ, 1999.
9. Cholakov, G. St.; Wakeham, W. A.; Stateva, R. P. Estimation of Normal Boiling Points of Hydrocarbons from Descriptors of Molecular Structure. Fluid Phase Equilib. 1999, 163, 21.
10. Wakeham, W. A.; Cholakov, G. St.; Stateva, R. P. Liquid Density and Critical Properties of Hydrocarbons Estimated from Molecular Structure. J. Chem. Eng. Data 2002, 47, 559.
11. HYSYS. Version 3.2. Copyright 1996-2003, AspenTech.
12. Perry, R. H.; Green, D. W. Perry's Chemical Engineers' Handbook; McGraw-Hill: 1999.
13. Chen, M.; Ma, P. Solid-Liquid Equilibria of Several Systems Containing Acetic Acid. J. Chem. Eng. Data 2004, 49, 756.
14. Jain, A.; Yang, G.; Yalkowsky, S. H. Estimation of Melting Points of Organic Compounds. Ind. Eng. Chem. Res. 2004, 43, 7618.
15. Goodman, B. T.; Wilding, W.; Oscarson, J. L.; Rowley, R. L. A Note on the Relationship between Organic Solid Density and Liquid Density at the Triple Point. J. Chem. Eng. Data 2004, 49, 1512.
16. Skjold-Jørgensen, S. Gas Solubility Calculations. II. Application of a New Group-Contribution Equation of State. Fluid Phase Equilib. 1984, 16, 317.
17. Skjold-Jørgensen, S. Group Contribution Equation of State (GC-EOS): A Predictive Method for Phase Equilibrium Computations over Wide Ranges of Temperatures and Pressures up to 30 MPa. Ind. Eng. Chem. Res. 1988, 27, 110.
18. Espinosa, S.; Foco, G. M.; Bermúdez, A.; Fornari, T. Revision and Extension of the Group Contribution Equation Of State to New Solvent Groups and Higher Molecular Weight Alkanes. Fluid Phase Equilib. 2000, 172, 129.
19. Espinosa, S.; Fornari, T.; Bottini, S. B.; Brignole, E. A. Phase Equilibria in Mixtures of Fatty Oils and Derivatives with Near Critical Fluids Using the GC-EOS Model. J. Supercrit. Fluids 2002, 23, 91.
20. Espinosa, S.; Diaz, S.; Fornari, T. Extension of the Group Contribution Associating Equation of State to Mixtures Containing Phenol, Aromatic Acid and Aromatic Ether Compounds. Fluid Phase Equilib. 2005, 231, 197.
21. Bamberger, A.; Schmelzer, J.; Walther, D.; Maurer, G. High-Pressure Vapour-Liquid Equilibria in Binary Mixtures of Carbon Dioxide and Benzene Compounds: Experimental Data for Mixtures with ethylbenzene, isopropylbenzene, 1,2,4-trimethylbenzene, 1,3,5-trimethylbenzene, ethenylbenzene and isopropenylbenzene, and their Correlation with the Generalized Bender and Skjold-Jorgensen's Group Contribution Equation of State. Fluid Phase Equilib. 1994, 97, 167.
22. 2 + Ethanol as a Modifier: Measurements and Thermodynamic Modelling. J. Supercrit. Fluids 2004, 32, 89.
23. 2 with Ethanol as a cosolvent. J. Supercrit. Fluids 2005, 34, 323.
24. Van Leer, R. A.; Paulaitis, M. E. Solubilities of Phenol and Chlorinated Phenols in Supercritical Carbon Dioxide. J. Chem. Eng. Data 1980, 25, 257.
25. Mori, Y.; Shimizu, T.; Iwai, Y.; Arai, Y. Solubilities of 3,4-Xylenol and Naphthalene + 2,5-Xylenol in Supercritical Carbon Dioxide at 35°C. Chem. Eng. Data 1992, 37, 317.
26. Iwai, Y.; Yamamoto, H.; Tanaka, Y.; Arai, Y. Solubilities of 2,5 and 2,6-Xylenols in Supercritical Carbon Dioxide. J. Chem. Eng. Data 1990, 35, 174.
27. Yamini, Y.; Reza Fat'hi, M.; Alizadeh, N.; Shamsipur, M. Solubility of Dihydroxybenzene Isomers in Supercritical Carbon Dioxide. Fluid Phase Equilib. 1998, 152, 229.
28. Li, Q.; Zhang, Z.; Zhong, C.; Liu, Y.; Zhou, Q. Solubility of Solid Solutes in Supercritical Carbon Dioxide with and without Cosolvents. Fluid Phase Equilib. 2003, 207, 183.
29. Dobbs, J. M.; Wong, J. M.; Lahiere, R. J.; Johnston, K. P. Modification of Supercritical Fluid Phase Behavior Using Polar Cosolvents. Ind. Eng. Chem. Res. 1987, 26, 56.
30. Schmitt, W. J.; Reid, R. C. Solubility of Monofunctional Organic Solids in Chemically Diverse Supercritical Fluids. J. Chem. Eng. Data 1986, 31, 204.
31. García-González, J.; Molina, M. J.; Rodriguez, F.; Mirada, F. Solubilities of Phenol and Pyrocatechol in Supercritical Carbon Dioxide. J. Chem. Eng. Data 2001, 46, 918.
32. Galia, A.; Argentino, A.; Scialdone, O.; Filardo, G. A New Simple Static Method for the Determination of Solubilities of Condensed Compounds in Supercritical Fluids. J. Supercrit. Fluids 2002, 24, 7.
33. Murga, R.; Sanz, M. T.; Beltrán, S.; Cabezas, J. L. Solubility of Some Phenolic Compounds Contained in Grape Seeds in Supercritical Carbon Dioxide. J. Supercrit. Fluids 2002, 23, 113.
34. Gurdial, G. S.; Foster, N. R. Solubility of o-Hydroxybenzoic Acid in Supercritical Carbon Dioxide. Ind. Eng. Chem. Res. 1991, 30, 575.
35. Chapman, W.; Gubbins, K.; Jackson, J.; Radosz, M. New Reference Equation of State for Associating Liquids. Ind. Eng. Chem. Res. 1990, 29, 1709.
36. Wells, P.; Chaplin, R. P.; Foster, N. R. Solubility of Phenylacetic Acid and Vanillan in Supercritical Carbon Dioxide. J. Supercrit. Fluids 1990, 3, 8.
37. Murga, R.; Sanz, M. T.; Beltrán, S.; Cabezas, J. L. Solubility of Syringic and Vanillic Acids in Supercritical carbon Dioxide. J. Chem. Eng. Data 2004, 49, 779.
38. Mukhopadhyay, M.; De, S. K. Fluid Phase Behavior of Close Molecular Weight Fine Chemicals with Supercritical Carbon Dioxide. J. Chem. Eng. Data 1995, 40, 909.