Modeling amorphous porous materials and confined fluids

MRS Bulletin

Volumn 34, Issue 8, 2009, Pages 592-601

  Gelb, Lev D ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATED CARBON; CHARACTERIZATION; GAS ADSORPTION; POROUS MATERIALS; SOL-GELS;

CAPILLARY PHENOMENA; CHARACTERIZATION TOOLS; CRYSTALLINE STRUCTURE; DERIVED MATERIALS; INDUSTRIAL PROCESSS; PHASE-SEPARATED GLASS; SIMULATION AND MODELING; STRUCTURE AND PERFORMANCE;

AMORPHOUS MATERIALS;

EID: 69549098200     PISSN: 08837694     EISSN: None     Source Type: Journal    
DOI: 10.1557/mrs2009.159     Document Type: Article

References (107)

1. C.J. Brinker, G.W. Scherer, Sol-Gel Science (Academic Press, San Diego, 1990).
2. R. Schnabel, P. Langer, J. Chromatogr. 544, 137 (1991).
3. S.J. Gregg, K.S.W. Sing, Adsorption, Surface Area and Porosity, 2nd edition (Academic Press, London, 1982).
4. F. Rouquerol, J. Rouquerol, K. Sing. Adsorption by Powders & Porous Solids (Academic Press, San Diego, 1999).
5. S.M. Auerbach, K.A. Carrado, P.K. Dutta, Eds., Handbook of Zeolite Science and Technology (Marcel Dekker, New York, 2003).
6. H. Marsh, F. Rodriguez Reinoso, Activated Carbon (Marcel Dekker, New York, 2005).
7. W. Haller, in Solid Phase Bixhemistry, W.H. Scouten, Ed., (Wiley, New York, 1983), pp. 535-597.
8. A.G. Mayes, K. Mosbach, Trends Anal. Chem. 16 (6), 321 (1997).
9. S. Shelley, Chem. Eng. Progress 105 (1), 6 (2009).
10. R. Dronskowski, Computational Chemistry of Solid State Materials (Wiley-VCH Verlag, Weinheim, 2005).
11. E.E. Underwood, Quantitative Stereology (Addison-Wesley, MA, 1970).
12. S. Lowell, J.E. Shields, M.A. Thomas, M. Thommes, Characterization of Porous Solids and Powders: Surface Area, Pore Size and Density; Particle Technology Series (Springer, New York, 2006).
13. A.T. Brünger, M. Karplus, G.A. Petsko, Acta. Crystallogr. A 45, 50 (1989).
14. M.Y. Joshi, PhD thesis, University of Kansas, 1974.
15. J.A. Quiblier, J. Colloid Interface Sci. 98 (1), 84 (1984).
16. A.P. Roberts. Phys. Rev. E 56 (3), 3203 (1997).
17. C.L.Y. Yeong, S. Torquato. Phys. Rev. E 57 (1), 495 (1998).
18. C.L.Y. Yeong, S. Torquato, Phys. Rev. E 58 (1), 224 (1998).
19. P. Levitz, Adv. Colloid Interface Sci. 76-77,71 (1998).
20. M.G. Rozman, M. Utz, Phys. Rev. E 63, 066701 (2001).
21. S. Torquato, Random Heterogeneous Materials: Microstructure and Macroscopic Properties (Springer-Verlag, New York, 2001).
22. R. Salazar, L.D. Gelb, Langmuir 23, 530 (2007).
23. R.L. McGreevy, L. Pusztai, Mol. Simul. 1, 359 (1988).
24. D. Erike, F. Janowski, W. Schwieger, Microporous Mesoporous Mater. 60, 19 (2003).
25. H.P. Hood, M.E. Nordberg, U.S. Patent 2,106,744 (1938).
26. W. Haller, Nature 206, 693 (1965).
27. P. Levitz, G. Ehret, S.K. Sinha, J.M. Drake, J. Chem. Phys. 95 (8), 6151 (1991).
28. D.P. Bentz, E.J. Garboczi, D.A. Quenard, Modell. Simul. Mater. Sci. Eng. 6 (3), 211 (1998).
29. R.J.M. Pellenq, B. Rousseau, P.E. Levitz, Phys. Chem. Chem. Phys. 3 (7), 1207 (2001).
30. ES. Kikkinides, M.E. Kainourgiakis, K.L. Stefanopoulos, AC Mitropoulos, A.K. Stubos, N.K. Kanellopoulos, J. Chem. Phys. 112 (22), 9881 (2000).
31. E.S. Kikkinides, M.E. Kainourgiakis, A.K. Stubos, Langmuir 19, 3338 (2003).
32. K. Makrodimitris, G.K. Papadopoulos, C Philippopoulos, D.N. Theodorou, J. Chem. Phys. 117 (12), 5876 (2002).
33. J.W. Cahn, J. Chem. Phys. 42 (1), 93 (1965).
34. L. Monette, G.S. Grest, M.P. Anderson, Phys. Rev. E 50 (5), 3361 (1994).
35. T. MacFarland, G.T. Barkema, J.F. Marko, Phys. Rev. B 53 (1), 148 (1996).
36. L.D. Gelb, K.E. Gubbins, Langmuir 14, 2097 (1998).
37. L.D. Gelb, K.E. Gubbins, Langmuir 15, 305 (1999).
38. T.H. Elmer, in ASM Engineered Materials Handbook, S.J. Schneider, Jr., Ed. (ASM, Materials Park, OH, 1991), vol.4, pp. 427-432
39. X. Lu, O. Nilsson, J. Fricke, R.W. Pekala, J. Appl. Phys. 73, 581 (1993).
40. P. Meakin, Phys. Rev. Lett. 51 (13), 1119 (1983).
41. A. Hasmy, M. Foret, J. Pelous, R. Jullien, Phys. Rev. B 48, 9345 (1993).
42. T.M. Haard, G. Gervais, R. Nomura, W.P. Halperin, Phys. B 284-288, 289 (2000).
43. F. Pierce, C.M. Sorensen, A. Chakrabarti, Phys. Rev. E 74, 021411 (2006).
44. A. Hasmy, É. Anglaret, M. Foret, J. Pelous, R. Jullien, Phys. Rev. B 50, 6006-6016 (1994).
45. P. Meakin, Ann. Rev. Phys. Chem. 39, 237 (1988).
46. P. Meakin, R. Jullien, J. Chem. Phys. 89 (1), 246 (1988).
47. R. Jullien, A. Hasmy, É. Anglaret, J. Sol-Gel Sci. Technol. 8,819 (1997).
48. L.D. Gelb, J. Phys. Chem. C 111, 15792 (2007).
49. B.P. Feuston, S.H. Garofalini, J. Phys. Chem. 94, 5351 (1990).
50. S.H. Garofalini, G. Martin, J. Phys. Chem. 98, 1311 (1994).
51. K. Yamahara, K. Okazaki, Fluid Phase Eq. 144, 449 (1998).
52. N.Z. Rao, L.D. Gelb, J. Phys. Chem. B 108, 12418 (2004).
53. S. Bhattacharya, J. Kieffer, J. Chem. Phys. 122,094715 (2005).
54. S. Bhattacharya, J. Kieffer, J. Phys. Chem. C 112,1764 (2008).
55. P.I. Pohl, J.-L. Faulon, D.M. Smith, J. NonCryst. Solids 186,349 (1995).
56. J.M.D. MacElroy, K. Raghavan, J. Chem. Phys. 93 (3), 2068 (1990).
57. R.D. Kaminsky, J. Chem. Phys. 95 (4), 2936 (1991).
58. L.D. Gelb, K.E. Gubbins, R. Radhakrishnan, M. Sliwinska-Bartkowiak, Rep. Prog. Phys. 62 (12), 1573 (1999).
59. P.R. Van Tassel, Encyclopedia of Surface and Colloid Science (Taylor & Francis, 2006), pp. 271-278.
60. J. Quintanilla, R.F. Reidy, B.P. Gorman, D.W. Mueller, J. Appl. Phys. 93 (8), 4584 (2003).
61. N. Eschricht, E. Hoinkis, F. Mädler, P. Schubert-Bischoff, B. Röhl-Kuhn, J. Colloid Interface Sci. 291, 201 (2005).
62. Th. Steriotis, E. Kikkinides, M. Kainourgiakis, A. Stubos, J.D.F. Ramsay, Colloids Surf. A 241, 231 (2004).
63. 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. Higgens, J.L. Schlenker, J. Am. Chem. Soc. 114 (27), 10834 (1992).
64. T.J. Barton, L.M. Bull, W.G. Klemperer, D.A. Loy, B. McEnaney, M. Misono, P.A. Monson, G. Pez, G.W. Scherer, J.C. Vartuli, O.M. Yaghi, Chem. Mater. 11,.2633 (1999).
65. G.J. de A.A. Soler-Illia, C. Sanchez, B. Lebeau, J. Patarin, Chem. Rev. 102,.4093 (2002).
66. Y. Wan, D. Zhao, Chem. Rev. 107 (7), 2821 (2007).
67. B.P. Feuston, J.B. Higgins, J. Phys. Chem. 98, 4459 (1994).
68. Y. Oumi, K. Azuma, T. Ikeda, S. Sasaki, T. Santo, Studies in Surf. Sci. Catal. 141, 69-76 (2002).
69. C.G. Sonwane, C.W. Jones, P.J. Ludovice, J. Phys. Chem. B109 (49), 23395 (2005).
70. K. Kleestorfer, H. Vinek, A. Jentys, J. Mol. Catal. A166,53 (2001).
71. AJ. Palace Carvalho, T. Ferreira, A.J. Estêvão Candeias, J.P. Prates Ramalho, Theochem 729, 65 (2005).
72. F.R. Siperstein, K.E. Gubbins, Mol. Simul. 27, 339 (2001).
73. B. Coasne, F.R. Hung, R.J.-M. Pellenq, F.R. Siperstein, K.E. Gubbins, Langmuir 22, 194 (2006).
74. F.R. Hung, S. Bhattacharya, B. Coasne, M. Thommes, KE. Gubbins, Adsorption 13, 425 (2007).
75. C Schumacher, J. Gonzalez, P.A. Wright, NA. Seaton, J. Phys. Chem. B110 (1), 319 (2006).
76. T.J. Bandosz, M.J. Biggs, K.E. Gubbins, Y. Hattori, T. Iiyama, K. Kaneko, J. Pikunic, K.T. Thomson, Chemistry and Physics of Carbon (Marcel Dekker, New York, 2003).
77. M.J. Biggs, A. Buts, Mol. Simul. 32 (7), 579 (2006).
78. B. O'Malley, I. Snook, D. McCulloch, Phys. Rev. B 57 (22), 14148 (1998).
79. J.S. Rigden, R.J. Newport, J. Electrxhem. Soc.. 143 (1), 292 (1996).
80. J.L. Faulon, G.A. Carlson, P.G. Hatcher, Energy Fuels 7, 1062 (1993).
81. M. Acharya, MS. Strano, J.P. Mathews, J.L. Billings, V. Petkov, S. Subramoney, H.C. Foley, Philos. Mag. B 79, 1499 (1999).
82. K.T. Thomson, K.E. Gubbins, Langmuir 16, 5761 (2000).
83. J. Pikunic, C. Clinard, N. Cohaut, K.E. Gubbins, J.-M. Guet, R.J.-M. Pellenq, I. Rannou, J.-N. Rouzaud, Langmuir 19, 8565 (2003).
84. P. Zetterström, S. Urbonaite, F. Lindberg, R.G. Delaplane, J. Leis, G. Svensson, J. Phys.: Condens. Matter 17, 3509 (2005).
85. T. Petersen, I. Yarovsky, I. Snook, D.G. McCulloch, G. Opletal, Carbon 42, 2457 (2004).
86. S.K. Jain, R.J.-M. Pellenq, J.R Pikunic, K.E. Gubbins, Langmuir 22, 9942 (2006).
87. M.J. Biggs, A. Buts, D. Williamson, Langmuir 20, 5786 (2004).
88. A. Kumar, R.F. Lobo, NJ. Wagner, Carbon 43,3099 (2005).
89. Y. Shi, J. Chem. Phys. 128, 234707 (2008).
90. D. Nicholson, N.G. Parsonage, Computer Simulation and the Statistical Mechanics of Adsorption (Academic Press, London, 1982).
91. L.D. Gelb, Mol. Phys. 100 (13), 2049 (2002).
92. L.D. Gelb, K.E. Gubbins, in Fundamentals of Adsorption 7, K. Kaneko, Ed. (Elsevier, Paris, 2001), pp. 333-339.
93. R. Evans, U. Marini Bettolo Marconi, P. Tarazona, J. Chem. Phys. 84 (4), 2376 (1986).
94. R.I. Ravikovitch, G.L. Haller, A.V. Neimark, Adv. Colloid Interface Sci. 76-77, 203(1998).
95. L.J. Douglas Frink, A.G. Salinger, J. Chem. Phys. 118 (16), 7466 (2003).
96. E.A. Ustinov, D.D. Do, J. Chem. Phys. 120, 9769 (2004).
97. D.W. Siderius, L.D. Gelb, Langmuir 25, 1296 (2009).
98. E. Kierlik, P.A. Monson, M.L. Rosinberg, L Sarkisov, G. Tarjus, Phys. Rev. Lett. 87, 055701 (2001).
99. E. Kierlik, M.L. Rosinberg, G. Tarjus, P. Viot, Phys. Chem. Chem. Phys. 3, 1201 (2001).
100. M.J. De Oliveira, R.B. Griffiths, Surf. Sci. 71, 687 (1978).
101. H.-J. Woo, L. Sarkisov, P.A. Monson, Langmuir 17, 7472 (2001).
102. F. Detcheverry, E. Kierlik, M.L. Rosinberg, G. Tarjus, Phys. Rev. E 68, 061504 (2003).
103. R. Salazar, L.D. Gelb, Phys. Rev. E 71041502 (2005).
104. L.D. Gelb, R. Salazar, Adsorption, 11 283 (2005).
105. P.A. Monson, J. Chem. Phys. 128, 084701 (2008).
106. R. Salazar, L.D. Gelb, Mol. Phys. 102 (9-10), 1015 (2004).
107. M. Bonijoly, M. Oberlin, A. Oberlin, Int. J. Coal Geol. 1 (4), 283 (1982).