Analytical representation of micropores for predicting gas adsorption in porous materials

Microporous and Mesoporous Materials

Volumn 167, Issue , 2013, Pages 188-197

  Thornton, Aaron W ^a   Furman, Scott A ^a   Nairn, Kate M ^a   Hill, Anita J ^a   Hill, James M ^b   Hill, Matthew R ^a,c  

^a CSIRO   (Australia)

^b UNIVERSITY OF ADELAIDE   (Australia)

^c UNIVERSITY OF MELBOURNE   (Australia)

Author keywords

Activated carbon; Adsorption; Metal organic framework; Nanotube; Potential energy

Indexed keywords

GAS STORAGE; IMIDAZOLATE; METAL ORGANIC FRAMEWORK; MICROPORES; SIMULATED ISOTHERMS; SIZE AND SHAPE; STRAIGHT-FORWARD METHOD; THERMODYNAMIC ADSORPTION;

ACTIVATED CARBON; ADSORPTION; COMPUTER SIMULATION; CRYSTALLINE MATERIALS; GAS ADSORPTION; NANOTUBES; POROUS MATERIALS; POTENTIAL ENERGY; SORPTION; THERMODYNAMICS; TOPOLOGY;

PHYSISORPTION;

EID: 84871267812     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2012.09.002     Document Type: Article

References (70)

1. J. Baxter, Z. Bian, G. Chen, D. Danielson, M.S. Dresselhaus, A.G. Fedorov, T.S. Fisher, C.W. Jones, E. Maginn, U. Kortshagen, A. Manthiram, A. Nozik, D.R. Rolison, T. Sands, L. Shi, D. Sholl, and Y. Wu Energy Environ. Sci. 2 2009 559 588
2. M.Z. Jacobson Energy Environ. Sci. 2 2009 148 173
3. D.M. D'Alessandro, B. Smit, and J.R. Long Angew. Chem. Int. Ed. 49 2010 6058 6082
4. C.A. Scholes, K.H. Smith, S.E. Kentish, and G.W. Stevens Int. J. Greenhouse Gas. Control 4 2010 739 755
5. J.M. Simmons, H. Wu, W. Zhou, and T. Yildirim Energy Environ. Sci. 4 2011 2177 2185
6. E.W. Wolff Nature 470 2011 49 50
7. Multi-Year Research, Development and Demonstration Plan-Planned Program Activities for 2003-2010: Technical Plan. U.S. Department of Energy. Available from: < http://www.eere.energy.gov/hydrogenandfuelcells/mypp/pdfs/storage.pdf >.
8. M. Eddaoudi, J. Kim, N. Rosi, D. Vodak, J. Wachter, M. O'Keeffe, and O.M. Yaghi Science 295 2002 469 472
9. J.L.C. Rowsell, and O.M. Yaghi Micropor. Mesopor. Mater. 73 2004 3 14
10. K. Sumida, M.R. Hill, S. Horike, A. Dailly, and J.R. Long J. Am. Chem. Soc. 131 2009 15120 15121
11. A.W. Thornton, K.M. Nairn, J.M. Hill, A.J. Hill, and M.R. Hill J. Am. Chem. Soc. 131 2009 10662 10669
12. K.S. Park, Z. Ni, A.P. Cote, J.Y. Choi, R. Huang, F.J. Uribe-Romo, H.K. Chae, M. O'Keeffe, and O.M. Yaghi Proc. Natl. Acad. Sci. USA 103 2006 10186 10191
13. R. Banerjee, A. Phan, B. Wang, C. Knobler, H. Furukawa, M. O'Keeffe, and O.M. Yaghi Science 319 2008 939 943
14. W. Morris, C.J. Doonan, H. Furukawa, R. Banerjee, and O.M. Yaghi J. Am. Chem. Soc. 130 2008 12626 12627
15. A.C. Dillon, K.M. Jones, T.A. Bekkedahl, C.H. Kiang, D.S. Bethune, and M.J. Heben Nature 386 1997 377 379
16. F. Darkrim, and D. Levesque J. Chem. Phys. 109 1998 4981 4984
17. C. Liu, Y.Y. Fan, M. Liu, H.T. Cong, H.M. Cheng, and M.S. Dresselhaus Science 286 1999 1127 1129
18. Q. Wang, and J.K. Johnson J. Chem. Phys. 110 1999 577 586
19. S.K. Bhatia, and A.L. Myers Langmuir 22 2006 1688 1700
20. A. Gigras, S.K. Bhatia, A.V.A. Kumar, and A.L. Myers Carbon 45 2007 1043 1050
21. T. Ben, C. Pei, D. Zhang, J. Xu, F. Deng, X. Jing, and S. Qiu Energy Environ. Sci. 4 2011 3991 3999
22. N. Alam, and R. Mokaya Energy Environ. Sci. 3 2011 1773 1781
23. I. Langmuir J. Am. Chem. Soc. 38 1916 2221 2295
24. S. Brunauer, P.H. Emmett, and E. Teller J. Am. Chem. Soc. 60 1938 309 319
25. A.I. Skoulidas, and D.S. Sholl J. Phys. Chem. B 109 2005 15760 15768
26. E. Pantatosaki, F.G. Pazzona, G. Megariotis, and G.K. Papadopoulos J. Phys. Chem. B 114 2010 2493 2503
27. D. Dubbeldam, R. Krishna, and R.Q. Snurr J. Phys. Chem. C 113 2009 19317 19327
28. A.I. Skoulidas, and D.S. Sholl J. Phys. Chem. A 107 2003 10132 10141
29. Z. Xiang, D. Cao, J. Lan, W. Wang, and D.P. Broom Energy Environ. Sci. 3 2010 1469 1487
30. S. Keskin, and D.S. Sholl Energy Environ. Sci. 3 2010 343 351
31. E. Beerdsen, D. Dubbeldam, and B. Smit Phys. Rev. Lett. 95 2005 164505
32. R.Q. Snurr, A.T. Bell, and D.N. Theodorou J. Phys. Chem. 97 1993 13742 13752
33. G. Garberoglio Langmuir 23 2007 12154 12158
34. R. Babarao, Z.Q. Hu, J.W. Jiang, S. Chempath, and S.I. Sandler Langmuir 23 2007 659 666
35. T. Mueller, and G. Ceder J. Phys. Chem. B 109 2005 17974 17983
36. A.K. Rappe, C.J. Casewit, K.S. Colwell, W.A. Goddard, and W.M. Skiff J. Am. Chem. Soc. 114 1992 10024 10035
37. S.S. Han, J.L. Mendoza-Cortes, and W.A. Goddard III Soc. Rev. 38 2009 1460 1476
38. P. Dalach, H. Frost, R.Q. Snurr, and D.E. Ellis J. Phys. Chem. C 112 2008 9278 9284
39. E.A. Ustinov Langmuir 25 2009 7450 7456
40. X. Zhang, D. Cao, and J. Chen J. Phys. Chem. B 107 2003 4942 4950
41. J. Lan, D. Cao, and W. Wang Langmuir 26 2010 220 226
42. E. Kierlik, P.A. Monson, M.L. Rosinberg, L. Sarkisov, and G. Tarjus Phys. Rev. Lett. 87 2001 055701
43. B.K. Peterson, and K.E. Gubbins Mol. Phys. 62 1987 215 226
44. T.C. Merkel, H. Lin, X. Wei, and R. Baker J. Membr. Sci. 359 2010 126 139
45. A. Gupta, S. Chempath, M.J. Sanborn, L.A. Clark, and R.Q. Snurr Mol. Simul. 29 2003 29 46
46. F.T. Willmore, X. Wang, and I.C. Sanchez J. Polym. Sci., Part B: Polym. Phys. 44 2006 1385 1393
47. D. Dubbeldam, S. Calero, D.E. Ellis, and R.Q. Snurr RASPA 1.0 2008 Northwestern University Evanston
48. A. Gupta, M.J. Sanborn, L.A. Clark, S. Chempath, L. Sarkisov, and R.Q. Snurr MUlti SImulation Code (MUSIC) 2002 Northwestern University Evanston, IL
49. B.J. Cox, N. Thamwattana, and J.M. Hill J. Phys. A: Math. Theor. 41 2008 235209
50. T.A. Hilder, and J.M. Hill J. Phys. A: Math. Theor. 40 2007 3851 3868
51. P.W. Atkins Physical Chemistry 1978 Oxford University Press Oxford
52. A.L. Myers Int. Adsorpt. Soc. 9 2003 9 16
53. R.J. Sadus J. Chem. Phys. 115 2001 1460 1462
54. M. Rzepka, P. Lamp, and M. Casa-Lillo J. Phys. Chem. B 102 1998 10894 10898
55. A.L. Myers Thermodynamics of adsorption T.M. Letcher, Chemical Thermodynamics for Industry 2004 Royal Society of Chemistry Cambridge
56. C. Dieterici Ann. Phys. Chem. Wiedemanns Ann. 69 1899 666 685
57. B. Panella, M. Hirscher, H. Putter, and U. Muller Adv. Funct. Mater. 16 2006 520 524
58. D. Farrusseng, C. Daniel, C. Gaudillere, U. Ravon, Y. Schuurman, C. Mirodatos, D. Dubbeldam, H. Frost, and R.Q. Snurr Langmuir 25 2009 7383 7388
59. D.H. Everett, and J.C. Powl Faraday Trans. 1 72 1976 619 636
60. H. Furukawa, M. Miller, and O.M. Yaghi J. Mater. Chem. 17 2007 3197 3204
61. P.N. Aukett, N. Quirke, S. Riddiford, and S.R. Tennison Carbon 30 1992 913 924
62. P. Ryan, L.J. Broadbelt, and R.Q. Snurr Chem. Commun. 2008 4132 4134
63. S.S. Kaye, A. Dailly, O.M. Yaghi, and J.R. Long J. Am. Chem. Soc. 129 2007 14176 14177
64. J. Pérez-Pellitero, H. Amrouche, F.R. Siperstein, G. Pirngruber, C. Nieto-Draghi, G. Chaplais, A. Simon-Masseron, D. Bazer-Bachi, D. Peralta, and N. Bats Chem. Eur. J. 16 2010 1560 1571
65. Maple, 10.00; Maplesoft, 2005.
66. S.A. Furman, A.W. Thornton, Adsorb IT, 1.0; CSIRO, 2011.
67. S.L. Mayo, B.D. Olafson, and W.A. Goddard III J. Phys. Chem. 94 1990 8897 8909
68. H. Frost, T. Duren, and R.Q. Snurr J. Phys. Chem. B 110 2006 9565 9570
69. L.F. Herrera, C. Fan, V. Nguyen, D.D. Do, T. Horikawa, and D. Nocholson Carbon 50 2012 500 509
70. A.W. Thornton, D. Dubbeldam, M.S. Liu, B.P. Ladewig, A.J. Hill, and M.R. Hill Energy Environ. Sci. 5 2012 7637 7646