SAFT1-RPM approximation extended to phase equilibria and densities of CO 2-H 2O and CO 2-H 2O-NaCl systems

Industrial and Engineering Chemistry Research

Volumn 44, Issue 22, 2005, Pages 8419-8427

  Ji, Xiaoyan ^a   Tan, Sugata P ^a   Adidharma, Hertanto ^a   Radosz, Maciej ^a  

^a UNIVERSITY OF WYOMING   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CROSS-ASSOCIATION; DENSITY DATA; OIL RECOVERY;

APPROXIMATION THEORY; DATABASE SYSTEMS; MATHEMATICAL MODELS;

CHEMICAL ENGINEERING;

CHEMICAL ENGINEERING; PHASE EQUILIBRIUM MODEL;

EID: 27844471671     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie050725h     Document Type: Article

References (51)

1. Li, Z.; Dong, M.; Li, S.; Dai, L. Densities and Solubilities for Binary Systems of Carbon Dioxide + Water and Carbon Dioxide + Brine at 59°C and Pressures to 29 MPa. J. Chem. Eng. Data 2004, 49, 1026-1031.
2. 2 solubility in pure water and aqueous NaCl solutions from 273 to 533 K and from 0 to 2000 bar. Chem. Geol. 2003, 193, 257-271.
3. Kiepe, J.; Horstmann, S.; Fischer, K.; Gmehling, J. Application of the PSRK Model for Systems Containing Strong Electrolytes. Ind. Eng. Chem. Res. 2004, 43, 6607-6615.
4. 2 in Electrolyte Solutions Using the Mean Spherical Approximation. J. Phys. Chem. B 2003, 107, 5948-5957.
5. 2. I. Assessment and calculation of mutual solubilities from 12 to 100&C and up to 600 bar. Geochim. Cosmochim. Acta 2003, 67, 3015-3031.
6. Evelein, K. A.; Moore, R. G.; Heidemann, R. A. Correlation of the phase behavior in the systems hydrogen sulfide-water and carbon dioxide-water. Ind. Eng. Chem. Process Des. Dev. 1976, 15, 423-428.
7. Shyu, G.-S.; Hanif, N. S. M.; Hall, K. R.; Eubank, P. T. Carbon dioxide - ater phase equilibria results from the Wong-Sandler combining rules. Fluid Phase Equilib. 1997, 130, 73-85.
8. Valtz, A.; Chapoy, A.; Coquelet, C.; Paricaud, P.; Richon, D. Vapour-liquid equilibria in the carbon dioxide-water system, measurement and modelling-from 278.2 to 318.2 K. Fluid Phase Equilib. 2004, 226, 333-344.
9. Galindo, A.; Davies, L. A.; Gil-Villegas, A.; Jackson, G. The thermodynamics of mixtures and the corresponding mixing rules in the SAFT-VR approach for potentials of variable range. Mol. Phys. 1998, 93, 241-252.
10. Gil-Villegas, A.; Galindo, A.; Whitehead, P. J.; Mills, S. J.; Jackson, G.; Burgess, A. N. Statistical associating fluid theory for chain molecules with attractive potentials of variable range. J. Chem. Phys. 1997, 106, 4168-4186.
11. Button, J. K.; Gubbins, K. E. SAFT prediction of vapourliquid equilibria of mixtures containing carbon dioxide and aqueous monoethanolamine or diethanolamine. Fluid Phase Equilib. 1999, 158-160, 175-181.
12. Huang, S. H.; Radosz, M. Equation of state for small, large, polydisperse, and associating molecules. Ind. Eng. Chem. Res. 1990, 29, 2284-2294.
13. Huang, S. H.; Radosz, M. Equation of state for small, large, polydisperse, and associating molecules: Extension to fluid mixtures. Ind. Eng. Chem. Res. 1991, 30, 1994-2005.
14. Adidharma, H.; Radosz, M. Prototype of an Engineering Equation of State for Heterosegmented Polymers. Ind. Eng. Chem. Res. 1998, 37, 4453-4462.
15. Tan, S. P.; Adidharma, H.; Radosz, M. Statistical Associating Fluid Theory Coupled with Restricted Primitive Model To Represent Aqueous Strong Electrolytes. Ind. Eng. Chem. Res. 2005, 44, 4442-4452.
16. Adidharma, H.; Radosz, M. A study of square-well statistical associating fluid theory approximations. Fluid Phase Equilib. 1999, 161, 1-20.
17. Ji, X.; Tan, S. P.; Adidharma, H.; Radosz, M. Statistical Associating Fluid Theory Coupled with Restricted Primitive Model to Represent Aqueous Strong Electrolytes: Multiple-Salt Solutions. Ind. Eng. Chem. Res. 2005, 44, 7584-7590.
18. Steinebrunner, G.; Dyson, A. J.; Kirchner, B.; Huber, H. Structural and thermodynamic properties of fluid carbon dioxide from a new ab initio potential energy surface. J. Chem. Phys. 1998, 109, 3153-3160.
19. Kolafa, J.; Nezbeda, I.; Lisal, M. Effect of short- and longrange forces on the properties of fluids. III. Dipolar and quadrupolar fluids. Mol. Phys. 2001, 99, 1751-1764.
20. Tan, S. P.; Adidharma, H.; Radosz, M. Generalized Procedure for Estimating the Fractions of Nonbonded Associating Molecules and Their Derivatives in Thermodynamic Perturbation Theory. Ind. Eng. Chem. Res. 2004, 43, 203-208.
21. Adidharma, H.; Radosz, M. SAFT1 for Associating Fluids: Alkanols. J. Phys. Chem. B 2001, 105, 9822-9827.
22. Lemmon, E. W.; McLinden, M. O.; Friend, D. G. Thermophysical Properties of Fluid Systems. NIST Chemistry WebBook; NIST Standard Reference Database Number 69; National Institute of Standards and Technology: Gaithersburg, MD, 2003 (http://webbook.nist.gov).
23. Angus, S.; Armstrong, B.; de Reuck, K. M. International Thermodynamic Tables of the Fluid State. 3. Carbon dioxide; Pergamon Press: New York, 1976.
24. Patel, M. R.; Eubank, P. T. Experimental densities and derived thermodynamic properties for carbon dioxide-water mixtures. J. Chem. Eng. Data 1988, 33, 185-193.
25. Zawisza, A.; Malesinska, B. Solubility of carbon dioxide in liquid water and of water in gaseous carbon dioxide in the range 0.2-5 MPa and at temperatures up to 473 K. J. Chem. Eng. Data 1981, 26, 388-391.
26. King, M. B.; Mubarak, A.; Kim, J. D.; Bott, T. R. The mutual solubilities of water with supercritical and liquid carbon dioxide. J. Supercrit. Fluids 1992, 5, 296-302.
27. Hebach, A.; Oberhof, A.; Dahmen, N. Density of Water + Carbon Dioxide at Elevated Pressures: Measurements and Correlation. J. Chem. Eng. Data 2004, 49, 950-953.
28. 2 in Synthetic Seawater at Temperatures from 278 to 293 K and Pressures from 6.44 to 29.49 MPa, and Densities of the Corresponding Aqueous Solutions. J. Chem. Eng. Data 1998, 43, 2-5.
29. Nighswander, J. A.; Kalogerakis, N.; Mehrotra, A. K. Solubilities of carbon dioxide in water and 1 wt. % sodium chloride solution at pressures up to 10 MPa and temperatures from 80 to 200°C. J. Chem. Eng. Data 1989, 34, 355-360.
30. 2 in Aqueous Solutions of NaCl at (30 to 60)°C and (10 to 20) MPa. J. Chem. Eng. Data 2003, 48, 576-579.
31. Bamberger, A.; Sieder, G.; Maurer, G. High-pressure (vapor-liquid) equilibrium in binary mixtures of (carbon dioxide + water or acetic acid) at temperatures from 313 to 353 K. J. Supercrit. Fluids 2000, 17, 97-110.
32. Briones, J. A.; Mullins, J. C.; Thies, M. C.; Kim, B. U. Ternary phase equilibria for acetic acid-water mixtures with supercritical carbon dioxide. Fluid Phase Equilib. 1987, 36, 235-246.
33. Dohrn, R.; Buenz, A. P.; Devlieghere, F.; Thelen, D. Experimental measurements of phase equilibria for ternary and quaternary systems of glucose, water, carbon dioxide and ethanol with a novel apparatus. Fluid Phase Equilib. 1993, 83, 149-158.
34. D'Souza, R.; Patrick, J. R.; Teja, A. S. High-pressure phase equilibria in the carbon dioxide-n-hexadecane and carbon dioxidewater systems. Can. J. Chem. Eng. 1988, 66, 319-323.
35. Matous, J.; Sobr, J.; Novak, J. P.; Pick, J. Solubility of carbon dioxide in water at pressures up to 40 atm. Collect. Czech. Chem. Commun. 1969, 34, 3982-3985.
36. Wiebe, R.; Gaddy, V. L. The solubility in water of carbon dioxide at 50, 75 and 100° at pressures to 700 atm. J. Am. Chem. Sbc. 1939, 61, 315-318.
37. Coan, C. R.; King, A. D., Jr. Solubility of water in compressed carbon dioxide, nitrous oxide, and ethane. Evidence for hydration of carbon dioxide and nitrous oxide in the gas phase. J. Am. Chem. Soc. 1971, 93, 1857-1862.
38. Wiebe, R.; Gaddy, V. L. Vapor-phase composition of carbon dioxide-water mixtures at various temperatures and at pressures to 700 atm. J. Am. Chem. Soc. 1941, 63, 475-477.
39. 2O Mixtures Containing NaCl or KCl at Temperatures between 313 and 393 K and Pressures up to 10 MPa. Ind. Eng. Chem. Res. 2002, 41, 4393-4398.
40. Mueller, G.; Bender, E.; Maurer, G. The vapor-liquid equilibrium of the ternary system ammonia-carbon dioxide-water for high water concentrations at 373-473 K. Ber. Bunsen-Ges. Phys. Chem. 1988, 92, 148-160.
41. Toedheide, K.; Franck, E. U. Two-phase range and the critical curve in the system carbon dioxide-water up to 3500 bar. Z. Phys. Chem. 1963, 37, 387-401.
42. 2 at high temperatures and pressures. Am. J. Sci. 1964, 262, 1055-1074.
43. Wiebe, R.; Gaddy, V. L. The solubility of carbon dioxide in water at various temperatures from 12° to 40° and at pressures to 500 atm. Critical phenomena. J. Am. Chem. Soc. 1940, 62, 815-817.
44. Anderson, G. K. Solubility of Carbon Dioxide in Water under Incipient Clathrate Formation Conditions. J. Chem. Eng. Data 2002, 47, 219-222.
45. Rumpf, B.; Nicolaisen, H.; Ocal, C.; Maurer, G. Solubility of carbon dioxide in aqueous solutions of sodium chloride: Experimental results and correlation. J. Solution Chem. 1994, 23, 431-448.
46. Malinin, S. D.; Kurovskaya, N. A. Carbon dioxide solubility in solutions of chlorides at elevated temperatures and carbon dioxide pressure. Geokhimiya 1975, 547-550.
47. Malinin, S. D.; Savel'eva, N. I. Carbon dioxide solubility in sodium chloride and calcium chloride solutions at temperatures of 25, 50, and 75° and elevated carbon dioxide pressure. Geokhimiya 1972, 643-653.
48. Bartholome, E.; Friz, H. Solubility of carbon dioxide in water at high pressures. Chem.-Ing.-Technol. 1956, 28, 706-708.
49. Chapoy, A.; Mohammadi, A. H.; Chareton, A.; Tohidi, B.; Richon, D. Measurement and Modeling of Gas Solubility and Literature Review of the Properties for the Carbon Dioxide-Water System. Ind. Eng. Chem. Res. 2004, 43, 1794-1802.
50. Nakayama, T.; Sagara, H.; Arai, K.; Saito, S. High-pressure liquid-liquid equilibria for the system of water, ethanol and 1, 1-difluoroethane at 323.2 K. Fluid Phase Equilib. 1987, 38, 109-127.
51. Sako, T.; Sugeta, T.; Nakazawa, N.; Okubo, T.; Sato, M.; Taguchi, T.; Hiaki, T. Phase equilibrium study of extraction and concentration of furfural produced in reactor using supercritical carbon dioxide. J. Chem. Eng. Jpn. 1991, 24, 449-455.