Computational approach to study hydrogen storage in clathrate hydrates

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Volumn 357, Issue 1-3, 2010, Pages 67-73

  Papadimitriou, N I ^a   Tsimpanogiannis, I N ^a   Stubos, A K ^a  

^a INSTITUTE OF NANOSCIENCE AND NANOTECHNOLOGY   (Greece)

Author keywords

Clathrate hydrate; Hydrogen storage; Monte Carlo simulation; Occupancy

Indexed keywords

COMPUTATIONAL EFFICIENCY; COMPUTER SIMULATION; GAS ADSORPTION; GAS HYDRATES; HYDRATION; HYDROGEN; MOLECULES; MONTE CARLO METHODS;

CLATHRATE HYDRATE; COMPUTATIONAL APPROACH; EXPERIMENTAL DATA; GAS MOLECULES; GRAND CANONICAL MONTE CARLO; HYDROGEN CONTENTS; HYDROGEN STORAGE CAPACITIES; HYDROGEN-BONDED WATER MOLECULES; MONTE CARLO SIMULATION; MONTE CARLO STUDY; NANOPOROUS MATERIALS; SOLID MATERIAL; STORAGE OF HYDROGEN;

HYDROGEN STORAGE;

CLATHRATE HYDRATES; HYDROGEN; NANOMATERIAL; UNCLASSIFIED DRUG;

ADSORPTION CHROMATOGRAPHY; ARTICLE; CHEMICAL STRUCTURE; GEOMETRY; ISOTHERM; MASS FRAGMENTOGRAPHY; MONTE CARLO METHOD; PRIORITY JOURNAL; STRUCTURE ANALYSIS; THERMODYNAMICS; X RAY DIFFRACTION;

EID: 77049084267     PISSN: 09277757     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.colsurfa.2009.10.003     Document Type: Article

References (69)

1. Gregg S.J., and Sing K.S.W. Adsorption, Surface Area and Porosity. 2nd ed. (1982), Academic Press, London
2. Sing K.S.W. Adv. Coll. Interf. Sci. 76-77 (1998) 3
3. Gelb L.D., Gubbins K.E., Radhakrishnan R., and Sliwinska-Bartowiak M. Rep. Prog. Phys. 62 (1999) 1573
4. Sahaym U., and Norton M.G. J. Mater. Sci. 43 (2008) 5395
5. Allen M.P., and Tildesley D.J. Computer Simulations of Liquids (1987), Clarendon Press, Oxford, UK
6. Frenkel D., and Smit B. Understanding Molecular Simulation (2002), Academic Press, San Diego
7. Sloan E.D. Clathrate Hydrates of Natural Gases. 2nd ed. (1998), Marcel Dekker, New York
8. Thomas S., and Dawe R.A. Energy 28 (2003) 1461
9. Khokhar A.A., Gudmundsson J.S., and Sloan E.D. Fluid Phase Equilib. 150-151 (1998) 383
10. Mao W.L., Mao H.K., Goncharov A.F., Struzhkin V.V., Guo Q., Hu J., Shu J., Hemley R.J., Somayazulu M., and Zhao Y. Science 297 (2002) 2247
11. Florusse L.J., Peters C.J., Schoonman J., Hester K.C., Koh C.A., Dec S.F., Marsh K.N., and Sloan E.D. Science 306 (2004) 469
12. Sloan E.D. Nature 426 (2003) 353
13. Hammerschmidt E.G. Ind. Eng. Chem. 26 (1934) 851
14. Chatti I., Delahaye A., Fournaison L., and Petitet J.P. Energy Convers. Manage. 46 (2005) 1333
15. Collet T.S. AAPG Bull. 86 (2002) 1971
16. Kubota H., Shimizu K., Tanaka Y., and Makita T. J. Chem. Eng. Jpn. 17 (1984)
17. Brewer P.G., Friederich C., Peltzer E.T., and Orr F.M. Science 284 (1999) 943
18. Kang S.P., and Lee H. Environ. Sci. Technol. 34 (2000) 4397
19. van der Waals J.H., and Platteeuw J.C. Adv. Chem. Phys. 2 (1959) 1
20. Parrish W.R., and Prausnitz J.M. Ind. Eng. Chem. Proc. Des. Dev. 11 (1972)
21. John V.T., and Holder G.D. J. Phys. Chem. 86 (1982) 455
22. John V.T., and Holder G.D. J. Phys. Chem. 89 (1985) 3279
23. Klauda J.B., and Sandler S.I. Ind. Eng. Chem. Res. 39 (2000) 3377
24. Handa Y.P., and Tse J.S. J. Phys. Chem. 90 (1986) 5917
25. Lee H., Lee J.W., Kim D.Y., Park J., Seo Y.T., Zeng H., Moudrakovski I.L., Ratcliffe C.I., and Ripmeester J.A. Nature 434 (2005) 743
26. Kim D.Y., Park Y., and Lee H. Catal. Today 120 (2007) 257
27. Strobel T.A., Taylor C.J., Hester K.C., Dec S.F., Koh C.A., Miller K.T., and Sloan E.D. J. Phys. Chem. B 110 (2006) 17121
28. Anderson R., Chapoy A., and Tohidi B. Langmuir 23 (2007) 3440
29. Hashimoto S., Murayama T., Sugahara T., Sato H., and Ohgaki K. Chem. Eng. Sci. 61 (2006) 7884
30. Hashimoto S., Sugahara T., Sato H., and Ohgaki K. J. Chem. Eng. Data 52 (2007) 517
31. Strobel T.A., Koh C.A., and Sloan E.D. J. Phys. Chem. B 112 (2008) 1885
32. Duarte A.R.C., Shariati A., Rovetto L.J., and Peters C.J. J. Phys. Chem. B 112 (2008) 1888
33. Kim D.Y., and Lee H. J. Am. Chem. Soc. 127 (2005) 9996
34. Linga P., Kumar R., and Englezos P. Chem. Eng. Sci. 62 (2007) 4268
35. Kumar R., Moudrakovski I., Ripmeester J.A., and Englezos P. AIChE J. 55 (2009) 1584
36. Kumar R., Lang S., Englezos P., and Ripmeester J. J. Phys. Chem. A 113 (2009) 6308
37. Metropolis N., Rosenbluth A.W., Rosenbluth M.N., Teller A.H., and Teller E. J. Chem. Phys. 21 (1953) 1087
38. Katsumasa K., Koga K., and Tanaka H. J. Chem. Phys. 127 (2007) 044509
39. Chun D.H., and Lee T.Y. Mol. Simul. 34 (2008) 837
40. Papadimitriou N.I., Tsimpanogiannis I.N., Papaioannou A.T., and Stubos A.K. J. Phys. Chem. C 112 (2008) 10294
41. Papadimitriou N.I., Tsimpanogiannis I.N., Papaioannou A.T., Peters C.J., and Stubos A.K. J. Phys. Chem. B 112 (2008) 14206
42. N.I. Papadimitriou, I.N. Tsimpanogiannis, A.K. Stubos, Mol. Simul., submitted for publication.
43. McMullan R.K., and Jeffrey G.A. J. Chem. Phys. 42 (1965) 2725
44. Mak T.C.W., and McMullan R.K. J. Chem. Phys. 42 (1965) 2732
45. Udachin K.A., Ratcliffe C.I., Enright G.D., and Ripmeester J.A. Supramol. Chem. 8 (1997) 173
46. Yousuf M., Quadri S.B., Knies D.L., Grabowski K.S., Coffin R.B., and Pohlman J.W. Appl. Phys. A 78 (2004) 925
47. Okano Y., and Yasuoka K. J. Chem. Phys. 124 (2006) 024510
48. Docherty H., Galindo A., Vega C., and Sanz E. J. Chem. Phys. 125 (2006) 074510
49. Silvera I.F., and Goldman V. J. Chem. Phys. 69 (1978) 4209
50. Berendsen H.J.C., Grigera J.R., and Straatsma T.P. J. Phys. Chem. 91 (1987) 6269
51. Jorgensen W.L., and Madura J.D. Mol. Phys. 56 (1985) 1381
52. Tester J.W., Bivins R.L., and Herick C.C. AIChE J. 18 (1972) 1220
53. Natarajan V., and Bishnoi P.R. Ind. Eng. Chem. Res. 34 (1995) 1494
54. Sparks K.A., Tester J.W., Cao Z., and Trout B.L. J. Phys. Chem. B 103 (1999) 6300
55. Kvamme B., Lund A., and Hertzberg T. Fluid Phase Equilib. 90 (1993) 15
56. Tanaka H. J. Chem. Phys. 101 (1994) 10833
57. Tanaka H. Fluid Phase Equilib. 144 (1998) 361
58. Tanaka H., Nakatsuka T., and Koga K. J. Chem. Phys. 121 (2004) 5488
59. Sizov V.V., and Piotrovskaya E.M. J. Phys. Chem. B 111 (2007) 2886
60. Wierzchowski S.J., and Monson P.A. J. Phys. Chem. B 111 (2007) 7274
61. Papadimitriou N.I., Tsimpanogiannis I.N., Papaioannou A.T., and Stubos A.K. Mol. Simul. 34 (2008) 1311
62. Sasaki S., Hori S., Kume T., and Shimizu H. J. Chem. Phys. 118 (2003) 7892
63. Hirai H., Uchihara Y., Nishimura Y., Kawamura T., Yamamoto Y., and Yagi T. J. Phys. Chem. B 106 (2002) 11089
64. Ogienko A.G., Kurnosov A.V., Manakov A.Y., Larionov E.G., Ancharov A.I., Sheromov M.A., and Nesterov A.N.A.N. J. Phys. Chem. B 110 (2006) 2840
65. Strobel T.A., Koh C.A., and Sloan E.D. Fluid Phase Equilib. 261 (2007) 382
66. Patchkovskii S., and Tse J.S. Proc. Natl. Acad. Sci. U.S.A. 100 (2003) 14645
67. Lokshin K.A., Zhao Y., He D., Mao W.L., Mao H.K., Hemley R.J., Lobanov M.V., and Greenblatt M. Phys. Rev. Lett. 93 (2004) 125503
68. Ogata K., Hashimoto S., Sugahara T., Moritoki M., Sato H., and Ohgaki K. Chem. Eng. Sci. 63 (2008) 5714
69. Mulder F.M., Wagemaker M., van Eijck L., and Kearly G.K. Chem. Phys. Chem. 9 (2008) 1331