Prediction of the vapor-liquid interfacial tension of nonassociating and associating fluids with the SAFT-VR density functional theory

Journal of Physical Chemistry C

Volumn 111, Issue 43, 2007, Pages 15513-15522

  Gloor, Guy J ^a   Jackson, George ^a   Blas, F J ^b   Martin Del Rio E ^b   De Miguel, E ^b  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b UNIVERSITY OF HUELVA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; FREE ENERGY; PHASE EQUILIBRIA; SURFACE TENSION;

FLUID THEORY; INTERMOLECULAR POTENTIAL; SATURATED LIQUID DENSITY;

MOLECULAR PHYSICS;

EID: 36048941035     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp072344i     Document Type: Article

References (73)

1. van der Waals, J. D. Z Phys. Chem. 1894, 13, 657;
2. translation by Rowlinson, J. S. J. Stat. Phys. 1979, 20, 197.
3. Rowlinson, J. S.; Widom, B. Molecular Theory of Capillarity; Clarendon Press: Oxford, 1982.
4. Fundamentals of Inhomogeneous Fluids; Henderson, D, Ed.; Dekker: New York, 1992.
5. Equations of State for Fluids and Fluid Mixtures, Parts 1 and 2; Senger, J. V., Kayser, K. E., Peter, C. J., White, H. J., Jr., Eds.; Elsevier: Amsterdam, 2000.
6. Chapman, W. G.; Gubbins, K. E.; Jackson, G.; Radosz, M. Fluid Phase Equilib. 1989, 52, 31.
7. Chapman, W. G.; Gubbins, K. E.; Jackson, G.; Radosz, M. Ind. Eng. Chem. Res. 1990, 29, 1709.
8. Wertheim, M. S. J. Stat. Phys. 1984, 35, 19.
9. Wertheim, M. S. J. Stat. Phys. 1984, 35, 35.
10. Wertheim, M. S. J. Stat. Phys. 1986, 42, 459.
11. Wertheim, M. S. J. Stat. Phys. 1986, 42, 477.
12. Jackson, G.; Chapman, W. G.; Gubbins, K. E. Mol. Phys. 1988, 65, 1.
13. Chapman, W. G.; Jackson, G.; Gubbins, K. E. Mol. Phys. 1988, 65, 1057.
14. Galindo, A.; Burton, S. J.; Jackson, G.; Visco, D. P.; Kofke, D. Mol. Phys. 2002, 100, 2241.
15. Hansen, J.-P.; McDonald, I. R. Theory of Simple Liquids, 3rd ed.; Academic Press: New York, 2006.
16. Müller, E. A.; Gubbins, K. E. A review of SAFT and related approaches. In Equations of State for Fluids and Fluid Mixtures, Part 2; Sengers, J. V., Kayser, R. F., Peters, C. J., White, H. J., Jr., Eds.; Elsevier: Amsterdam, 2000.
17. Müller, E. A.; Gubbins, K. E. Ind. Eng. Chem. Res. 2001, 40, 2193.
18. Evans, R. Density Functional in the Theory of Nonuniform Fluids. In Fundamentals of Inhomogeneous Fluids; Henderson, D., Ed.; Dekker: New York, 1992.
19. Macleod, D. B. Trans. Faraday Soc. 1923, 19, 38.
20. Weinaug, C. F.; Katz, D. L. Ind. Eng. Chem. 1943, 35, 239.
21. Fowler, R. H. Proc. R. Soc., Ser. A 1937, 159, 229.
22. Guggenheim, E. A. J. Chem. Phys. 1945, 13, 253.
23. Zuo, Y.-X.; Stenby, E. H. Can. J. Chem. Eng. 1997, 75, 1130.
24. Cahn, J. W.; Hilliard, J. E. J. Chem. Phys. 1958, 28, 258.
25. Carey, B. S.; Scriven, L. E.; Davies, H. T. AIChE J. 1980, 26, 705.
26. Abbas, S.; Nordholm, S. J. Colloid Interface Sci. 1994, 166, 481.
27. Cornelisse, P. M. W.; Peters, C. J.; de Swaan Arons, J. J. Chem. Phys. 1997, 106, 9820.
28. Kahl, H.; Enders, S. Fluid Phase Equiib. 2000, 172, 27.
29. Kahl, H.; Enders, S. Phys. Chem. Chem. Phys. 2002, 4, 931.
30. Pàmies, J. C. Ph.D. Thesis, Universitat Rovira i Virgili, 2003.
31. Duque, D.; Pàmies, J. C.; Vega, L. F. J. Chem. Phys. 2004, 121, 11395.
32. McCabe, C.; Kiselev, S. B. Ind. Eng. Chem. Res. 2004, 43, 2839.
33. Mejía, A.; Pàmies, J. C.; Duque, D.; Segura, H.; Vega, L. F. J. Chem. Phys. 2005, 123, 034505.
34. Mejía, A.; Segura, H.; Wisniak, J.; Polishuk, I. Phys. Chem. Liq. 2006, 44, 45.
35. Fu, D.; Li, X.-S.; Yan, S.; Liao, T. Ind. Eng. Chem. Res. 2006, 45, 8199.
36. Davis, H. T. Statistical Mechanics of Phases and Interfaces, and Thin Films; VCH: Weinheim, 1996.
37. Winkelmann, J. J. Phys.: Condens. Matter 2001, 13, 4739.
38. Wu, J. AIChE J. 2006, 52, 1169.
39. Blas, F. J.; Martín del Río, E.; de Miguel, E.; Jackson, G. Mol. Phys. 2001, 99, 1851.
40. Gloor, G. J.; Bias, F. J.; Martín del Río, E.; de Miguel, E.; Jackson, G. Fluid Phase Equilib. 2002, 521, 194-197.
41. Gloor, G. J. Ph.D. Thesis, Imperial College London, 2003.
42. Gloor, G. J.; Jackson, G.; Blas, F. J.; Martín del Rio, E.; de Miguel, E. J. Chem. Phys. 2004, 121, 12740.
43. Fu, D.; Zhao, Y. Chin. J. Chem. 2005, 23, 386.
44. Fu, D.; Wu, J. Ind. Eng. Chem. Res. 2005, 44, 1120.
45. Tripathi, S.; Chapman, W. G. Phys. Rev. Lett. 2005, 94, 087801.
46. Tripathi, S.; Chapman, W. G. J. Chem. Phys. 2005, 122, 094506.
47. Dominik, A.; Tripathi, S.; Chapman, W. G. Ind. Eng. Chem. Res. 2006, 45, 6785.
48. Gil-Villegas, A.; Galindo, A.; Whitehead, P. J.; Mills, S. J.; Jackson, G.; Burgess, A. N. J. Chem. Phys. 1997, 106, 4168.
49. Toxvaerd, S. J. Chem. Phys. 1976, 64, 2863.
50. Clark, G. N. I.; Haslam, A. J.; Galindo, A.; Jackson, G. Mol. Phys. 2006, 104, 3561.
51. Carnahan, N. F.; Starling, K. E. J. Chem. Phys. 1969, 51, 635.
52. Barker, J. A.; Henderson, D. Rev. Mod. Phys. 1976, 48, 587.
53. Press, W. H.; Flannery, B. P.; Teukolsky, S. A.; Vetterling, W. T. Numerical Recipes in FORTRAN: The Art of Scientific Computing, 2nd ed. Cambridge University Press: New York, 1992.
54. Sear, R. P.; Amos, M. D.; Jackson, G. Mol. Phys. 1993, 80, 111.
55. Archer, A. L.; Amos, M. D.; Jackson, G.; McLure, I. A. Int. J. Thermophys. 1996, 17, 201.
56. McCabe, C.; Gil-Villegas, A.; Jackson, G.; del Rio, F. Mol. Phys. 1999, 97, 551.
57. McCabe, C.; Gil-Villegas, A.; Jackson, G. J. Phys. Chem. B 1998, 102, 4183.
58. McCabe, C.; Galindo, A.; Gil-Villegas, A.; Jackson, G. J. Phys. Chem. B. 1998, 102, 8060.
59. McCabe, C.; Galindo, A.; Gil-Villegas, A.; Jackson, G. Int. J. Thermophys. 1998, 79, 1511.
60. McCabe, C.; Jackson, G. Phys. Chem. Chem. Phys. 1999, 1, 2057.
61. McCabe, C.; Galindo, A.; García-Lisbona, M. N.; Jackson, G. Ind. Eng. Chem. Res. 2001, 40, 3835.
62. Paricaud, P.; Galindo, A.; Jackson, G. Ind. Eng. Chem. Res. 2004, 43, 6871.
63. Haslam, A. J.; von Solms, N.; Adjiman, C. S.; Galindo, A.; Jackson, G.; Paricaud, P.; Michelsen, M. L.; Kontogeorgios, G. M. Fluid Phase Equilib. 2006, 243, 74.
64. Fletcher, D. A.; McMeeking, R. F.; Parkin, D. J. Chem. Inf. Comput. Sci. 1996, 36, 746.
65. Galindo, A.; Gil-Villegas, A.; Jackson, G.; Burgess, A. N. J. Phys. Chem. B 1999, 103, 10272.
66. Nezbeda, I.; Kolafa, J.; Smith, W. R. Fluid Phase Equilib. 1997, 130, 133.
67. Smith, W. R.; Nezbeda, I. J. Chem. Phys. 1984, 81, 3694.
68. Nezbeda, I.; Pavlicek, J.; Kolafa, J.; Galindo, A.; Jackson, G. Fluid Phase Equilib. 1999, 193, 158-160.
69. García-Lisbona, M. N.; Galindo, A.; Jackson, G.; Burgess, A. N. Mol. Phys. 1998, 93, 57.
70. García-Lisbona, M. N.; Galindo, A.; Jackson, G.; Burgess, A. N. J. Am. Chem. Soc. 1998, 120, 4191.
71. Galindo, A.; Gil-Villegas, A.; Whitehead, P. J.; Jackson, G.; Burgess, A. N. J. Phys. Chem. B 1998, 102, 7632.
72. Mort, K. A.; Johnson, K. A.; Cooper, D. L.; Burgess, A. N.; Howells, W. S. Mol. Phys. 1997, 90, 415.
73. Neimark, A. V.; Ravikovitch, P. L.; Grün, M.; Schüth, F.; Unger, K. K. J. Colloid Interface Sci. 1998, 207, 159.