Vapor-liquid equilibria of binary associating fluids using a cubic equation of state with limited data

Industrial and Engineering Chemistry Research

Volumn 53, Issue 5, 2014, Pages 2052-2061

  Nasrifar, Khashayar ^a   Moshfeghian, Mahmood ^b  

^a UNIVERSITY OF NIZWA   (Oman)

^b J M Campbell Petroskills   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVITY COEFFICIENT MODEL; BINARY INTERACTION PARAMETER; CUBIC EQUATION OF STATE; INFINITE DILUTION ACTIVITY COEFFICIENTS; TEMPERATURE DEPENDENCIES; VAN DER WAALS MIXING RULE; VAPOR-LIQUID EQUILIBRIUM; VAPOR-LIQUID EQUILIBRIUM DATA;

EQUATIONS OF STATE; MIXING; VAN DER WAALS FORCES; VAPORS;

PHASE EQUILIBRIA;

EID: 84893706110     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie403560z     Document Type: Article

References (73)

1. Prausnitz, J. M.; Lichtenthaler, R. N.; de Azevedo, E. G. Molecular thermodynamics of fluid phase equilibria, 3 rd ed.; Prentice Hall: Englewood Cliffs, NJ, USA, 1999.
2. Lerol, J.-C.; Masson, J.-C.; Renon, H.; Fabries, J.-F.; Sanier, H. Accurate measurement of activity coefficient at infinite dilution by inert gas stripping and gas chromatography Ind. Eng. Chem. Proc. Des. Dev. 1977, 16, 139-144
3. Dohnal, V.; Horáková, I. A new variant of Rayleigh distillation method for the determination of limiting activity coefficients Fluid Phase Equilib. 1991, 68, 173-185
4. Hovorka, S.; Dohnal, V.; Roux, A. H.; Roux-Desgranges, G. Determination of temperature dependence of limiting activity coefficients for a group of moderately hydrophobic organic solutes in water Fluid Phase Equilib. 2002, 201, 135-164
5. Vrbka, P.; Dohnal, V.; Arlt, W. Limiting activity coefficients by comparative tensimetry: 1-Propanol and 1-butanol in heptane and in octane J. Chem. Eng. Data 2004, 49, 867-871
6. Dohnal, V.; Fenclová, D. Air-water partitioning and aqueous solubility of phenols J. Chem. Eng. Data 1995, 40, 478-483
7. Dohnal, V.; Vrbka, P. Infinite dilution activity coefficients by comparative ebulliometry. Binary systems of chloromethanes, chloroethanes and freon Fluid Phase Equilib. 1990, 54, 121-131
8. Mutelet, F.; Jaubert, J. N. Measurements of activity coefficients at infinite dilution in 1-hexadecyl-3-methylimidazolium tetrafluoroborate ionic liquid J. Chem. Thermodyn. 2007, 39, 1144-1150
9. Revelli, A. L.; Mutelet, F.; Jaubert, J. N. Partition coefficients of organic compound in new imidazolium based ionic liquids using inverse gas chromatography J. Chromatogr. A 2009, 23, 4775-4786
10. Abildskov, J.; Gani, R.; Rasmussen, P.; O'Connell, J. P. Analysis of infinite dilution activity coefficient of solutes in hydrocarbons from UNIFAC Fluid Phase Equilib. 2001, 181, 163-186
11. 2O mixtures Fluid Phase Equilib. 1998, 149, 27-40
12. Vrbka, P.; Dohnal, V. Limiting activity coefficients in binary mixtures of 1-alkanols and ethylbenzene Fluid Phase Equilib. 2008, 263, 64-70
13. Castells, C. B.; Carr, P. W.; Eikens, D. I.; Bush, D.; Eckert, C. A. Comparative study of semitheoretical models for predicting infinite dilution activity coefficients of alkanes in organic solvents Ind. Eng. Chem. Res. 1999, 38, 4104-4109
14. Zhang, S.; Hiaki, T.; Hongo, M.; Kojima, K. Prediction of infinite dilution activity coefficients in aqueous solutions by group contribution models. A critical evaluation Fluid Phase Equilib. 1998, 144, 97-112
15. Hsieh, C.-M.; Lin, S.-T. Prediction of 1-octanol-water partition coefficient and infinite dilution activity in water from the PR + COSMOSAC model Fluid Phase Equilib. 2009, 15, 8-14
16. Asprion, N.; Hasse, H.; Maurer, G. J. Limiting activity coefficients in alcohol-containing organic solutions from headspace gas chromatography J. Chem. Eng. Data 1998, 43, 74-80
17. Derawi, S. O.; Kontogeorgis, G.; Stenby, E. H. Application of group contribution models to the calculation of the octanol-water partition coefficient Ind. Eng. Chem. Res. 2001, 40, 434-443
18. Thomas, E. R.; Eckert, C. A. Prediction of limiting activity coefficients by a modified separation of cohesive energy density model and UNIFAC Ind. Eng. Chem. Proc. Des. Dev. 1984, 23, 194-209
19. Howell, W. J.; Karachewski, A. M.; Stephenson, K. M.; Eckert, C. A.; Park, J. G.; Carr, P. W.; Rutan, S. C. An improved mosced equation for the prediction and application of infinite dilution activity coefficients Fluid Phase Equilib. 1989, 52, 151-160
20. Afzal, W.; Breil, M. P.; Théveneau, P.; Mohammadi, A. H.; Kontogeorgis, G. M.; Richon, D. Phase equilibria of mixtures containing glycol and n -alkane: Experimental study of infinite dilution activity coefficients and modeling using the cubic-plus-association equation of state Ind. Eng. Chem. Res. 2009, 48, 11202-11210
21. Schreiber, L. B.; Eckert, C. A. Use of infinite dilution activity coefficients with Wilson's equation Ind. Eng. Chem. Proc. Des. Dev. 1971, 10, 572-576
22. Twu, C. H.; Bluck, D.; Cunningham, J. R.; Coon, J. E. A cubic equation of state: Relation between binary interaction parameters and infinite dilution activity coefficients Fluid Phase Equilib. 1992, 72, 25-40
23. Twu, C. H.; Coon, J. E.; Bluck, D. A zero-pressure cubic equation of state mixing rule for predicting high pressure phase equilibria using infinite dilution activity coefficients at low temperature Fluid Phase Equilib. 1998, 150-151, 181-189
24. Feroiu, V.; Geanǎ, D. Prediction of vapor-liquid equilibria at high pressures using activity coefficients at infinite dilution Fluid Phase Equilib. 1996, 120, 1-10
25. Geanǎ, D.; Feroiu, V. Prediction of vapor-liquid equilibria at low and high pressures from UNIFAC activity coefficients at infinite dilution Ind. Eng. Chem. Res. 1998, 37, 1173-1180
26. Constantinescu, D.; Klamt, A.; Geanǎ, D. Vapor-liquid equilibrium prediction at high pressures using activity coefficients at infinite dilution from COSMO-type methods Fluid Phase Equilib. 2005, 231, 231-238
27. Soave, G.; Gamba, S.; Pellegrini, L. A. SRK equation of state: predicting binary interaction parameters of hydrocarbons and related compounds Fluid Phase Equilib. 2010, 299, 285-293
28. Huron, M. J.; Vidal, J. New mixing rules in simple equations of state for representing vapor-liquid equilibria of strongly non-ideal mixtures Fluid Phase Equilib. 1979, 3, 255-271
29. Wong, D. S. H.; Sandler, S. I. A theoretically correct mixing rule for cubic equations of state AIChE J. 1992, 38, 671-680
30. Dahl, S.; Michelsen, M. L. High pressure vapor-liquid equilibrium with a UNIFAC based equation of state AIChE J. 1990, 36, 1829-1836
31. Holderbaum, T.; Gmehling, J. PSRK: A group contribution equation of state based on UNIFAC Fluid Phase Equilib. 1991, 70, 251-265
32. Leonhard, K.; Veverka, J.; Lucas, K. A comparison of mixing rules for the composition of COSMO-RS and the Peng-Robinson equation of state Fluid Phase Equilib. 2009, 275, 105-115
33. Gross, J.; Sadowski, G. Application of perturbation theory to a hard-chain reference fluid: An equation of state for square-well chains Fluid Phase Equilib. 2000, 168, 183-199
34. 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, 1244-1260
35. Nasifar, K.; Tafazzol, A. H. Vapor-liquid equilibria of acid gas-aqueous ethanolamine solutions using the PC-SAFT equation of state Ind. Eng. Chem. Res. 2010, 49, 7620-7630
36. Tafazzol, A. H.; Nasrifar, K. Thermophysical properties of associating fluids in natural gas industry using PC-SAFT equation of state Chem. Eng. Commun. 2011, 198, 1244-1262
37. Nasrifar, Kh. A perturbed-chain SAFT equation of state applied to mixtures of short- and long-chain n -alkanes Ind. Eng. Chem. Res. 2013, 52, 6582-6591
38. Schacht, C. S.; Zubeir, L.; de Loos, Th. W.; Gross, J. Application of infinite dilution activity coefficients for determining binary equation of state parameters Ind. Eng. Chem. Res. 2010, 49, 7646-7653
39. Privat, R.; Gani, R.; Jaubert, J. N. Are safe results obtained when the PC-SAFT equation of state is applied to ordinary pure chemicals? Fluid Phase Equilib. 2010, 295, 76-92
40. Peng, D. Y.; Robinson, D. B. A New Two-Constant Equation of State Ind. Eng. Chem. Fundam. 1976, 15, 59-64
41. Nasrifar, K.; Bolland, O. Prediction of thermodynamic properties of natural gas mixtures using 10 equations of state including a new cubic two-constant equation of state J. Pet. Sci. Eng. 2006, 51, 253-266
42. Farshchi-Tabrizi, F.; Nasrifar, K. Application of predictive equations of state in calculating natural gas phase envelopes and critical points J. Nat. Gas Sci. Eng. 2010, 2, 21-28
43. Mathias, P. M.; Copeman, T. W. Extension of the Peng-Robinson equation of state to complex mixtures: Evaluation of the various forms of the local composition Fluid Phase Equilib. 1983, 13, 91-108
44. Perry, R. H.; Green, D. W.; Maloney, J. O. Perry's chemical engineers' handbook, 7 th ed.; McGraw Hill: New York, NY, USA, 1997.
45. Yaws, C. L. Chemical properties handbook, 1 st ed.; McGraw Hill: New York, NY, USA, 1999.
46. Mokbel, I.; Sawaya, T.; Zanota, M.-L.; Naccoul, R. A.; Jose, J.; de Bellefon, C. Vapor-liquid equilibria of glycerol, 1,3-propanediol, glycerol + water, and glycerol + 1,3-propanediol J. Chem. Eng. Data 2012, 57, 284-289
47. Daubert, T. E.; Danner, R. P. Physical and thermodynamic properties of pure chemicals. Data compilation; Hemisphere: London, U.K., 1992.
48. Stryjek, R.; Vera, J. H. PRSV: An Improved Peng-Robinson equation of state with new mixing rules for strongly nonideal mixtures Can. Chem. Eng. 1986, 64, 334-340
49. Panagiotopoulos, A. J.; Reid, R. C. A new mixing rule for cubic equations of state for highly polar, asymmetric mixtures ACS Symp. Ser. 1986, 300, 571-582
50. Michelsen, M. L.; Mollerup, J. M. Thermodynamic models: Fundamental & compositional aspects, 1 st ed.; Tie-Line Publication: Holte, Denmark, 2004.
51. Fischer, K.; Gmehling, J. Further development, status and results of the PSRK method for the prediction of vapor-liquid equilibria and gas solubilities Fluid Phase Equilib. 1996, 121, 185-206
52. ij calculated through a group contribution method Fluid Phase Equilib. 2004, 224, 285-304
53. Jaubert, J.-N.; Privat, R.; Mutelet, F. Predicting the phase equilibria of synthetic petroleum with the PPR78 approach AIChE J. 2010, 56, 3225-3235
54. ij) of the Peng-Robinson and those of the Soave-Redlich-Kwong equations of state: application to the definition of the PR2SRK model Fluid Phase Equilib. 2010, 295, 26-37
55. Kurihara, K.; Nakamichi, M.; Kojima, K. Isobaric vapor-liquid equilibria for methanol + ethanol + water and the three constituent binary systems J. Chem. Eng. Data 1993, 38, 446-449
56. Vrbka, P.; Fenclová, D.; Laštovka, V.; Dohnal, V. Measurement of infinite dilution activity coefficients of 1-alkanols (C1-C5) in water as a function of temperature (273-373 K) Fluid Phase Equilib. 2005, 237, 123-129
57. Kamihama, N.; Matsuda, H.; Kurihara, K.; Tochigi, K.; Oba, S. Isobaric vapor-liquid equilibria for ehanol + water + ethylene glycol and its constituent three binary systems J. Chem. Eng. Data 2012, 57, 339-344
58. Mostafazadeh, A. K.; Rahimpour, M. R.; Shariati, A. Vapor-liquid equilibria of water + triethylene glycol (TEG) and water + TEG + Toluene at 85 kPa J. Chem. Eng. Data 2009, 54, 876-881
59. Prabhu, P. S.; Van Winkle, M. Effect of polar components on the relative volatility of the binary system n -hexane-benzene J. Chem. Eng. Data 1963, 8, 210-214
60. Wisniak, J.; Apelblat, A.; Tamir, A. Vapor-liquid equilibrium in the system 2-propanol-heptane J. Chem. Eng. Data 1980, 25, 113-115
61. Dohnal, V.; Vrbka, P. Limiting activity coefficients in the 1-alkanol + n -alkane systems: Survey, critical evaluation and recommended values, interpretation in terms of association models Fluid Phase Equilib. 1997, 133, 73-87
62. Mathias, P. M.; Klotz, H. C.; Prausnitz, J. M. Equaion-of-State Mixing Rules for Multicomponent Mixtures: The Problem of Invariance Fluid Phase Equilib. 1991, 67, 31-44
63. Zabaloy, M. S. Cubic Mixing Rules Ind. Eng. Chem. Res. 2008, 47, 5063-5079
64. 2 + n-Alkane Binary Systems Using Mixing Rules Cubic with Respect to Mole Fraction J. Supercrit. Fluids 2010, 55, 671-781
65. ij Calculated through a Group Contribution Method) J. Supercrit. Fluids 2008, 45, 1-26
66. Michelsen, M. L.; Kistenmacher, H. On composition-dependent interaction coefficients Fluid Phase Equilib. 1990, 58, 229-230
67. Soujanya, J.; Satyavathi, B.; Vittal Prasad, T. E. Experimental (vapor + liquid) equilibrium data of (methanol + water), (water + glycerol) and (methanol + glycerol) systems at atmospheric and sub-atmospheric pressures J. Chem. Thermodyn. 2010, 42, 621-624
68. Vijayaraghavan, S. V.; Deshpande, P. K.; Kuloor, N. R. Isobaric vapor-liquid equilibrium of n -heptane- n -butanol system J. Chem. Eng. Data 1966, 11, 147-149
69. Cristino, A. F.; Rosta, S.; Morgado, P.; Galindo, A.; Filipe, E. J. M.; Palavra, C. A.; Nieto de Castro, C. A. High-temperature vapor-liquid equilibrium for the (water + alcohol) systems and modeling with SAFT-VR: 2. Water-1-propanol J. Chem. Thermodyn. 2013, 60, 15-18
70. Gao, Z.; Wang, S.; Sun, Q.; Zhang, F. Isobaric phase equilibria of the system 1-butanol + water containing penicillin G potassium salt at low pressures Fluid Phase Equilib. 2003, 214, 137-149
71. Renon, H.; Prausnitz, J. M. Local compositions in thermodynamic excess functions for liquid mixtures AIChE J. 1968, 14, 135-144
72. Oliveira, M. B.; Teles, A. R. R.; Queimada, A. J.; Coutinho, J. A. P. Phase equilibria of glycerol containing systems and their description with the cubic-plus-association (CPA) equation of state Fluid Phase Equilib. 2009, 280, 22-29
73. Courtial, X.; Soo, C.-B.; Coquelet, C.; Paricaud, P.; Ramjugernath, D.; Richon, D. Vapor-liquid equilibrium in the n -butane + methanol system, measurement and modeling from 323.2 to 443.2 K Fluid Phase Equilib. 2009, 277, 152-161