Monte-Carlo simulation and mean-field theory interpretation of adsorption preference reversal in isotherms of alkane binary mixtures in zeolites at elevated pressures

Chemical Physics Letters

Volumn 362, Issue 5-6, 2002, Pages 414-418

  Khettar, Ayache ^a   Jalili, Seyed E ^a   Dunne, Lawrence J ^a,b   Manos, George ^c   Du, Zhimei ^d  

^a LONDON SOUTH BANK UNIVERSITY   (United Kingdom)

^b UNIVERSITY OF SUSSEX   (United Kingdom)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

^d UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037179444     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(02)01031-X     Document Type: Article

References (25)

1. Du. Zhimei, Computer simulation and theoretical studies of hydrocarbons adsorption in zeolites, Ph.D. thesis, South Bank University, London, 2001.
2. H.B. Abdul-Reham, K.F. Loughlin, Ind. Eng. Chem. Res. 29 (1990) 1525.
3. E.A. Ustinov, L.E. Klyuev, Adsorption equilibrium of binary mixtures in zeolites and state of adsorption phase, Adsorption 5 (1999) 331.
4. Z. Du, G. Manos, T.J.H. Vlugt, B. Smit, AIChE J. 44 (1998) 1756.
5. D. Frenkel, B. Smit, Understanding Molecular Simulation From Algorithms to Applications, Academic Press, New York, 1996.
6. D.M. Ruthven, Principle of Adsorption and Adsorption Processes, Wiley, New York, 1984.
7. D. Nicholson, N.G. Parsonage, Computer Simulation and the Statistical Mechanics of Adsorption, Academic Press, London, 1982.
8. C.R.A. Catlow, Modelling of Structure and Reactivity in Zeolites, Academic Press, London, 1992.
9. B. Smit, T.L.M. Maesen, Nature 3 (74) (1995) 42.
10. T.J.H. Vlugt, R. Krishna, B. Smit, J. Phys. Chem. B 103 (7) (1999) 1102.
11. T. Maris, T.J.H. Vlugt, B. Smit, J. Phys. Chem. B 102 (37) (1998) 7183.
12. R.Q. Snurr, A.T. Bell, D.N. Theodorou, J. Phys. Chem. 98 (1994) 5111.
13. R.Q. Snurr, A.T. Bell, D.N. Theodorou, J. Phys. Chem. 97 (1993) 13742.
14. Z. Du, L.J. Dunne, G. Manos, M. Chaplin, Chem. Phys. Lett. 307 (1999) 413.
15. Z. Du, L.J. Dunne, G. Manos, M. Chaplin, Chem. Phys. Lett. 318 (2000) 319.
16. Z. Du, L.J. Dunne, G. Manos, M. Chaplin, Studies Surf. Sci. Catal. 135 (2001) 1.
17. G. Manos, L.J. Dunne, M. Chaplin, Z. Du, Chem. Phys. Lett. 335 (2001) 77.
18. G.M. Bell, L.J. Dunne, J. Phys. C 12 (1979) 4137.
19. G.M. Bell, L.L. Combs, L.J. Dunne, Chem. Rev. 81 (1981).
20. L.J. Dunne, G.M. Bell, J. Chem. Soc. Faraday Trans. (II) 76 (1980) 431.
21. T.J.H. Vlugt, M.G. Martin, B. Smit, J.I. Siepman, R. Krishna, Mol. Phys. 94 (1998) 727.
22. R.F. Cracknell, D. Nicholson, J. Chem. Soc. Faraday Trans. 90 (1994) 1487.
23. T.L. Hill, Introduction to Statistical Thermodynamics, Addison-Wesley, Reading, MA, 1960.
24. K.Huang, Statistical Mechanics, second edn., Wiley, New York, 1987.
25. M. Rigby, E.B. Smith, W.A. Wakeham, G.C. Maitland, The Forces Between Molecules, Clarendon Press, Oxford, 1986.