Capillary condensation in a geometrically and a chemically heterogeneous pore: A molecular simulation study

Journal of Physical Chemistry B

Volumn 109, Issue 10, 2005, Pages 4700-4706

  Puibasset, Joël ^a  

^a UNIVERSITÉ D'ORLÉANS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ISOTHERMS; CAPILLARY FLOW; COMPUTER SIMULATION; CONDENSATION; FREE ENERGY; GAIN CONTROL; INTEGRAL EQUATIONS; PHASE DIAGRAMS; PORE SIZE; POROUS MATERIALS; THERMODYNAMICS;

CHEMICAL DISORBERS; DESORPTION ISOTHERMS; LENNARD-JONES FLUID; MOLECULAR SIMULATION;

MOLECULAR DYNAMICS;

EID: 15944372565     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037696d     Document Type: Article

References (31)

1. Heffelfinger, G. S.; van Swol, F.; Gubbins. K. E. Mol. Phys. 1987, 61, 1381.
2. Panagiotopoulos, A. Z. Mol. Phys. 1987, 62, 701.
3. Peterson, B. K.; Gubbins, K. E. Mol Phys. 1987, 62, 215.
4. Vishnyakov, A.; Piotrovskaya, E. M.; Brodskaya, E. N. Langmuir 2001, 17, 4451.
5. Peterson, B. K.; Gubbins, K. E.; Heffelfinger, G. S.; et al J. Chem. Phys. 1988, 88, 6487.
6. Panagiotopoulos, A. Z. Mol. Phys. 1987, 61, 813.
7. Smit, B.; DeSmedt, P.; Frenkel, D. Mol. Phys. 1989, 68, 931.
8. Nicholson, D.; Parsonage, N. G. Computer simulation and the statistical mechanics of adsorption; Academic Press: London, 1982.
9. Allen, M. P.; Tildesley, D. J. Computer simulation of liquids; Clarendon Press: Oxford, 1987.
10. Panagiolopoulos, A. Z. J. Phys.: Condens. Matter 2000, 12, R25.
11. Frenkel, D.; Smit, B. Understanding Molecular Simulation; Academic Press: London, 1969.
12. Neimark, A. V.; Vishnyakov, A. Phys. Rev. E 2000, 62, 4611.
13. Möller, D.; Fischer, J. Mol. Phys. 1990, 69, 463.
14. Möller, D.; Fischer, J. Mol. Phys. 1990, 75, 1461.
15. Alvarez, M.; Levesque, D.; Weis, J.-J. Phys. Rev. E 1999, 60, 5495.
16. Page, K. S.; Monson, P. A. Phys. Rev. E 1996, 54, R29.
17. Page, K. S.; Monson, P. A. Phys. Rev. E 1996, 54, 6557.
18. Sarkisov, L.; Monson, P. A. Phys. Rev. E 2000, 61, 7231.
19. Reszko-Zygmunt, J.; Pizio, O.: Rzysko, W.; et al. J. Colloid Interface Sci. 2001, 241, 169.
20. Sacquin, S.; Schoen, M.; Fuchs, A. H. J. Chem. Phys. 2003, 118, 1453.
21. Pellenq, R. J.-M.; Levitz, P. Mol. Phys. 2002, 100, 2059.
22. Gordon, P. A.; Glandt, E. D. J. Chem. Phys. 1996, 105, 4257.
23. Brennan, J. K.; Dong, W. J. Chem. Phys. 2002, 116, 8948.
24. Brennan, J. K.; Dong, W. Phys. Rev. E 2003, 67, 031503.
25. Peterson, B. K.; Gubbins, K. E.; Heffelfinger, G. S.; et al. J. Chem. Phys. 1988, 88, 6487.
26. Peterson, B. K.; Walton, J. P. R. B.; Gubbins, K. E. J. Chem. Soc., Faraday Trans. II 1986, 82, 1763.
27. Rowlinson, J. S.; Widom, B. Molecular Theory of Capillarity; Clarendon Press: Oxford, 1982.
28. Nishioka, K. Phys. Rev. A 1977, 16, 2143.
29. Nishioka, K. Phys. Rev. A 1987, 36, 4845.
30. Pitard, E.; Rosinberg, M. L.; Tarjus, G. Mol. Simul. 1996, 17, 399.
31. Coasne, B.; Pellenq, R. J.-M. J. Chem. Phys. 2004, 720, 2913.