Investigation of vapor-liquid surface tension for carbon dioxide and hydrocarbon mixtures by perturbed-chain statistical associating fluid theory combined with density-gradient theory

Industrial and Engineering Chemistry Research

Volumn 47, Issue 13, 2008, Pages 4490-4495

  Fu, Dong ^a   Wei, Yuanzhen ^a  

^a NORTH CHINA ELECTRIC POWER UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; EQUATIONS OF STATE; GRADIENT METHODS; HYDROCARBONS; ORGANIC COMPOUNDS; STATISTICAL METHODS; SURFACE CHEMISTRY; SURFACE TENSION;

DENSITY GRADIENT THEORY (DGT); EQUATION OF STATE (EOS); HYDROCARBON MIXTURES; PC-SAFT; PERTURBED CHAIN STATISTICAL ASSOCIATING FLUID THEORY (RC SAFT); SUPERCRITICAL CARBON DIOXIDE (SC CO2); VAPOR-LIQUID;

SUPERCRITICAL FLUID EXTRACTION;

EID: 47749090530     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie0716520     Document Type: Article

References (54)

1. Turek, E. A.; Metcalfe, R. S.; Fishback, R. E. Phase behavior of several carbon dioxide/west-Texas-reservoir-oil systems. SPE Reservoir Eng. 1988, 3, 505-516.
2. Levelt Sengers, J. M. H. Supercritical fluids: Their properties and applications. Supercritical fluids. fundamentals and applications; Kiran, E., Debenedetti, P. G., Peters, C. J., Eds.; NATO Science Series E 366; Kluwer Academic Publishers: Dordrecht, 2000.
3. Jofe, J.; Zudkevitch, D. Fugacity coefficients in gas mixtures containing light hydrocarbons and carbon dioxide. Ind. Eng. Chem. Fundam. 1966, 5, 455-462.
4. Myers, A. L.; Prausnitz, J. M. Thermodynamics of solid carbon dioxide solubility in liquid solvents at low temperatures. Eng. Chem. Fundam. 1965, 4, 209-212.
5. 2 extraction. Ind. Eng. Chem. Res. 2001, 40, 1589-1590.
6. 2 gas. J. Eur. Ceram. Soc. 2001, 21, 1219-1227.
7. Nung, W. C.; Tsai, F. N. Correlation of vapor-liquid equilibrium for systems of carbon dioxide + hydrocarbon by the corresponding-states principle. Chem. Eng. J. 1997, 66, 217-221.
8. Kato, H.; Nagahama, K.; Hirata, M. Generalized interaction parameters for the Peng-Robinson equation of state: carbon dioxide-n-paraffin binary systems. Fluid Phase Equilib. 1981, 4, 219-231.
9. 2-hydrocarbon binary mixtures. Fluid Phase Equilib. 1994, 93, 141-166.
10. 2-hydrocarbon equilibria. Fluid Phase Equilib. 1993, 82, 111-118.
11. 2 using SAFT equation of state. Ind. Eng. Chem. Res. 2000, 39, 2578.
12. Polishuk, I.; Wisniak, J.; Segura, H. Simultaneous prediction of the critical and sub-critical phase behavior in mixtures using equations of state II. Carbon dioxide-heavy n-alkanes. Chem. Eng. Sci. 2003, 58, 2529-2550.
13. Gross, J.; Sadowski, G. Perturbed-Chain SAFT: an equation of state based on a perturbation theory of chain molecules. Ind. Eng. Chem. Res. 2001, 40, 1244-1260.
14. Stoll, J.; Vrabec, J.; Hasse, H. Vapor-liquid equilibria of mixtures containing nitrogen, oxygen, carbon dioxide, and ethane. AIChE J. 2003, 49, 2187.
15. García, J.; Lugo, L.; Fernández, J. Phase equilibria, PVT behavior, and critical phenomena in carbon dioxide+n-alkane mixtures using the perturbed-chain statistical associating fluid theory approach. Ind. Eng. Chem. Res. 2004, 43, 8345-8353.
16. Mejía, A.; Polishuk, I.; Segura, H.; Wisniak, J. Estimation of interfacial behavior using the global phase diagram approach: I. Carbon dioxide-n-alkanes. Thermochim. Acta 2004, 411, 171-176.
17. Enders, S.; Kahl, H.; Winkelmann, J. Interfacial properties of polystyrene in contact with carbon dioxide. Fluid Phase Equilib. 2005,228-229, 511-522.
18. Fu, D.; Liang, L. L.; Li, X.-S.; Yan, S. M.; Liao, T. Investigation of vapor-liquid equilibria for supercritical carbon dioxide and hydrocarbon mixtures by perturbed-chain statistical associating fluid theory. Ind. Eng. Chem. Res. 2006, 45, 4364-4370.
19. Gross, J.; Sadowski, G. Modeling polymer systems using the perturbed-chain statistical associating fluid theory equation of state. Eng. Chem. Res. 2002, 41, 1084-1093.
20. Gross, J.; Sadowski, G. Application of the perturbed-chain SAFT equation of state to associating systems. Ind. Eng. Chem. Res. 2002, 41, 5510-5515.
21. Gross, J.; Spuhl, O.; Tumakaka, F.; Sadowski, G. Modeling copolymer systems using the perturbed-chain SAFT equation of state. Ind. Eng. Chem. Res. 2003, 42, 1266-1274.
22. Cheluget, E. L.; Bokis, C. P.; Wardhaugh, L.; Chen, C. C.; Fisher, J. Modeling polyethylene fractionation using the perturbed-chain statistical associating fluid theory equation of state. Ind. Eng. Chem. Res. 2002, 41, 968-988.
23. Von Solms, N.; Michelsen, M. L.; Kontogeorgis, G. M. Computational and physical performance of a modified PCSAFT equation of state for highly asymmetric and associating mixtures. Ind. Eng. Chem. Res. 2003, 42, 1098-1105.
24. Kouskoumvekaki, I. A.; VonSolms, N.; Michelsen, M. L.; Kontogeorgis, G. M. Application of the perturbed chain SAFT equation of state to complex polymer systems using simplified mixing rules. Fluid Phase Equilib. 2004, 215, 71-78.
25. Becker, F.; Buback, M.; Latz, H.; Sadowski, G.; Tumakaka, F. Cloud-point curves of ethylene-(meth)acrylate copolymers in fluid ethene up to high pressures and temperatures - Experimental study and PC-SAFT modeling. Fluid Phase Equilib. 2004, 215, 263-282.
26. Tumakaka, F.; Sadowski, G. Application of the perturbed-chain SAFT equation of state to polar systems. Fluid Phase Equilib. 2004, 217, 233-239.
27. Garcia-Sanchez, F.; Eliosa-Jimenez, G.; Silva-Oliver, G.; Vazquez-Roman, R. Vapor-liquid equilibria of nitrogen-hydrocarbon systems using the PC-SAFT equation of state. Fluid Phase Equilib. 2004, 217, 241-253.
28. Spuhl, O.; Herzog, S.; Gross, J.; Smirnova, I.; Arlt, W. Reactive phase equilibria in silica aerogel synthesis: Experimental study and prediction of the complex phase behavior using the PC-SAFT equation of state. Ind. Eng. Chem. Res. 2004, 43, 4457-4464.
29. Tumakaka, F.; Gross, J.; Sadowski, G. Thermodynamic modeling of complex systems using PC-SAFT. Fluid Phase Equilib. 2005, 228 - 229, 89-98.
30. Cismondi, M.; Brignole, E. A.; Mollerup, J. Rescaling of three-parameter equations of state: PC-SAFT and SPHCT. Polymer 2005, 46, 108-121.
31. Cameretti, L. F.; Sadowski, G.; Mollerup, J. M. Modeling of aqueous electrolyte solutions with perturbed chain statistical associated fluid theory. Ind. Eng. Chem. Res. 2005, 44, 3355-3362.
32. Yelash, L.; Muller, M.; Paul, W.; Binder, K. A global investigation of phase equilibria using the perturbed chain statistical-associating-fluid-theory approach. J. Chem. Phys. 2005, 123, 1-15.
33. Fu, D.; Li, X.-S.; Yan, S. M.; Liao, T. Investigation of critical properties and surface tensions for n-alkanes by PC-SAFT combined with density gradient theory and renormalization group theory. Ind. Eng. Chem. Res. 2006, 45, 8199-8206.
34. Fu, D. Investigation of surface tensions for pure associating fluids by PC-SAFT combined with density-gradient theory. Ind. Eng. Chem. Res. 2007, 46, 7378-7383.
35. Cahn, J. W.; Hilliard, J. E. Free energy of a nonuniform system. I. Interfacial free energy. J. Chem. Phys. 1958, 28, 258-267.
36. Dee, G. T.; Sauer, B. B. The surface tension of polymer liquids. Adv. Phys. 1998, 47, 161-205.
37. Cornelisse, P. M. W.; Peters, C. J.; Arons, J. S. Application of the Peng-Robinson equation of state to calculate interfacial tension and profiles at vapor-liquid interface. Fluid Phase Equilib. 1993, 82, 119-129.
38. Cornelisse, P. M. W.; Peters, C. J.; de Swaan Arons, J. Non-classical interfacial tension and fluid phase behaviour. Fluid Phase Equilib. 1996, 117, 312-319.
39. Cornelisse, P. M. W.; Peters, C. J.; de Swaan Arons, J. On the fundamentals of the gradient theory of van der Waals. J. Chem. Phys. 1997, 106, 9820-9834.
40. Cornelisse, P. M. W.; Wijtkamp, M.; Peters, C. J.; de Swaan Arons, J. Interfacial tensions of fluid mixtures with polar and associating components, Fluid Phase Equilib. 1998, 150-151, 633-640.
41. Zuo, Y. X.; Stenby, E. H. A linear gradient theory model for calculating interface tension of mixtures. J. Colloid Interface Sci. 1996, 182, 126-132.
42. Kahl, H.; Endersr, S. Calculation of surface properties of pure fluids using density gradient theory and SAFT-EOS. Fluid Phase Equilib. 2000, 172, 27-42.
43. Lin, H.; Duan, Y. Y.; Min, Q. Gradient theory modeling of surface tension for pure fluids and binary mixtures. Fluid Phase Equilib. 2007, 254, 75-90.
44. Miqueu, C.; Mendiboure, B.; Graciaa, A.; Lachaise, J. Modelling of the surface tension of pure components with the gradient theory of fluid interfaces: a simple and accurate expression for the influence parameters. Fluid Phase Equilib. 2003, 207, 225-246.
45. Miqueu, C.; Mendiboure, B.; Graciaa, C.; Lachaise, J. Modelling of the surface tension of binary and ternary mixtures with the gradient theory of fluid interfaces. Fluid Phase Equilib. 2004, 218, 189-203.
46. Miqueu, C.; Mendiboure, B.; Graciaa, A.; Lachaise, J. Modeling of the surface tension of multicomponent mixtures with the gradient theory of fluid interfaces. Ind. Eng. Chem. Res. 2005, 44, 3321-3329.
47. Sahimi, M.; Taylor, B. N. Surface tension of binary liquid-vapor mixtures: A comparison of mean-field and scaling theories. J. Chem. Phys. 1991, 95, 6749-6761.
48. Gasem, K. A. M.; Dickson, K. B.; Dulcamara, P. B.; Nagarajan, N.; Robinson, R. L. Equilibrium phase compositions, phase densities, and interfacial tensions for carbon dioxide + hydrocarbon systems. 5. Carbon dioxide + n-tetradecane. J. Chem. Eng. Data 1989, 34, 191-195.
49. Nagarajan, N.; Robinson, R. L. Equilibrium phase compositions, phase densities, and interfacial tensions for carbon dioxide + hydrocarbon systems. 3. CO2 + cyclohexane. 4. CO2 + benzene. J. Chem. Eng. Data 1987,32, 369-371.
50. Nagarajan, N.; Robinson, R. L. Equilibrium phase compositions, phase densities, and interfacial tensions for carbon dioxide + hydrocarbon systems. 2. Carbon dioxide + n-decane. J. Chem. Eng. Data 1986, 31, 168 - 171.
51. Hsu, J. J. C.; Nagarajan, N.; Robinson, R. L. Equilibrium phase compositions, phase densities, and interfacial tensions for carbon dioxide + hydrocarbon systems. 1. Carbon dioxide + n-butane. J. Chem. Eng. Data 1985, 30, 485-491.
52. Vargaftik, N. B. Tables on the thermo-physical properties of liquids and gases; Hemisphere Publishing Corporation: New York, 1975.
53. Lemmon, E. W.; McLinden, M. O.; Friend, D. G. Thermophysical Properties of Fluid Systems. In NIST Chemistry WebBook; Linstrom, P. J., Mallard, W. G., Eds.; NIST Standard Reference Database 69; National Institute of Standards and Technology: Gaithersburg, MD, 2003.
54. Jasper, J. J. The surface tension of pure liquid compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1009.