Adsorptiondesorption hysteresis of simple fluids confined in realistic heterogeneous silica mesopores of micrometric length: A new analysis exploiting a multiscale Monte Carlo approach

Journal of Chemical Physics

Volumn 127, Issue 15, 2007, Pages

  Puibasset, Joël ^a  

^a UNIVERSITÉ D'ORLÉANS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; FLUIDS; MESOPOROUS MATERIALS; MOLECULAR DYNAMICS; SILICA;

ADSORPTIONDESORPTION HYSTERESIS; COMPLEX PORE MODELS; HETEROGENEOUS SILICA MESOPORES;

ADSORPTION ISOTHERMS;

EID: 39349096735     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2790423     Document Type: Article

References (41)

1. A. Corma, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 10.1021/cr960406n 97, 2373 (1997).
2. P. Selvam, S. K. Bhatia, and C. G. Sonwane, Ind. Eng. Chem. Res. IECRED 0888-5885 10.1021/ie0010666 40, 3237 (2001).
3. J. S. Beck, J. C. Vartuli, W. J. Roth, M. E. Leonowicz, C. T. Kresge, K. D. Schmitt, C. T.-W. Chu, D. H. Olson, E. W. Sheppard, S. B. McCullen, J. B. Higgins, and J. L. Schlenker, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja00053a020 114, 10834 (1992).
4. C. T. Kresge, M. E. Leonowicz, W. J. Roth, J. C. Vartuli, and J. S. Beck, Nature (London) NATUAS 0028-0836 10.1038/359710a0 359, 710 (1992).
5. A. Uhlir, Bell Syst. Tech. J. BSTJAN 0005-8580 35, 333 (1956).
6. K. Morishige, H. Fujii, M. Uga, and D. Kinukawa, Langmuir LANGD5 0743-7463 10.1021/la970079u 13, 3494 (1997).
7. K. Morishige and M. Shikimi, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.476218 108, 7821 (1998).
8. B. Coasne, A. Grosman, C. Ortega, and M. Simon, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.256102 88, 256102 (2002).
9. D. Wallacher, N. Künzner, D. Kovalev, N. Knorr, and K. Knorr, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.195704 92, 195704 (2004).
10. G. Dolino, D. Bellet, and C. Faivre, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.17919 54, 17919 (1996).
11. L. D. Gelb, K. E. Gubbins, R. Radhakrishnan, and M. Sliwinska-Bartkowiak, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/62/12/201 62, 1573 (1999).
12. P. I. Ravikovitch, A. Vishnyakov, and A. V. Neimark, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.64.011602 64, 011602 (2001).
13. E. A. Ustinov and D. D. Do, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1710860 120, 9769 (2004).
14. R. Evans, U. Marini Bettolo Marconi, and P. Tarazona, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.450352 84, 2376 (1986).
15. B. K. Peterson and K. E. Gubbins, Mol. Phys. MOPHAM 0026-8976 10.1080/00268978700102151 62, 215 (1987).
16. A. Z. Panagiotopoulos, Mol. Phys. MOPHAM 0026-8976 10.1080/ 00268978700102501 62, 701 (1987).
17. P. C. Ball and R. Evans, Langmuir LANGD5 0743-7463 10.1021/la00087a026 5, 714 (1989).
18. L. D. Gelb, Mol. Phys. MOPHAM 0026-8976 10.1080/00268970210122730 100, 2049 (2002).
19. A. Papadopoulou, F. van Swol, and U. Marini Bettolo Marconi, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.463648 97, 6942 (1992).
20. L. H. Cohan, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja01269a058 60, 433 (1938).
21. M. W. Maddox, J. P. Olivier, and K. E. Gubbins, Langmuir LANGD5 0743-7463 10.1021/la961068o 13, 1737 (1997).
22. K. J. Edler, P. A. Reynolds, and J. W. White, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp971694+ 102, 3676 (1998).
23. A. Berenguer-Murcia, J. Garcia-Martinez, D. Cazorla-Amoros, A. Martinez-Alonso, J. M. D. Tascon, and A. Linares-Solano, in Studies in Surface Science and Catalysis, edited by, F. Rodriguez Reinoso, B. McEnaney, J. Rouquerol, and, K. Unger, (Elsevier Science, Amsterdam, 2002), Vol. 144, p. 83.
24. V. B. Fenelonov, A. Y. Derevyankin, S. D. Kirik, L. A. Solovyov, A. N. Shmakov, J.-L. Bonardet, A. Gedeon, and V. N. Romannikov, Microporous Mesoporous Mater. MIMMFJ 1387-1811 44-45, 33 (2001).
25. C. G. Sonwane, C. W. Jones, and P. J. Ludovice, J. Phys. Chem. B JPCBFK 1089-5647 109, 23395 (2005).
26. B. Coasne and R. J.-M. Pellenq, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1772757 121, 3767 (2004).
27. B. Coasne, F. R. Hung, R. J.-M. Pellenq, F. R. Siperstein, and K. E. Gubbins, Langmuir LANGD5 0743-7463 10.1021/la051676g 22, 194 (2006).
28. R. Gúgan, D. Morineau, C. Loverdo, W. B́ziel, and M. Guendouz, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.73.011707 73, 011707 (2006).
29. P. Röcken and P. Tarazona, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472072 105, 2034 (1996).
30. H. Bock and M. Schoen, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.59. 4122 59, 4122 (1999).
31. J. Puibasset, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp0474834 109, 480 (2005).
32. J. Puibasset, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1867376 122, 134710 (2005).
33. J. Puibasset, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2229193 125, 074707 (2006).
34. D. H. Everett, Trans. Faraday Soc. TFSOA4 0014-7672 10.1039/tf9545001077 50, 1077 (1954).
35. R. J.-M. Pellenq and D. Nicholson, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100101a039 98, 13339 (1994).
36. O. Talu and A. L. Myers, Colloids Surf., A CPEAEH 0927-7757 187-188, 83 (2001).
37. D. Nicholson and N. G. Parsonage, Computer Simulation and the Statistical Mechanics of Adsorption (Academic, London, 1982).
38. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
39. E. Kierlik, P. A. Monson, M. L. Rosinberg, L. Sarkisov, and G. Tarjus, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.055701 87, 055701 (2001).
40. E. Kierlik, M. L. Rosinberg, G. Tarjus, and P. Viot, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b008636n 3, 1201 (2001).
41. E. Kierlik, P. A. Monson, M. L. Rosinberg, and G. Tarjus, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/40/319 14, 9295 (2002).