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Volumn 124, Issue , 2015, Pages 135-143

Diffusion of methane and other alkanes in metal-organic frameworks for natural gas storage

Author keywords

Adsorption; Diffusivity; MOF; Molecular dynamics; Molecular simulation

Indexed keywords

ADSORPTION; BINARY MIXTURES; CRYSTALLINE MATERIALS; DIFFUSION IN LIQUIDS; GASES; METHANE; MIXTURES; MOLECULAR DYNAMICS; NATURAL GAS; ORGANOMETALLICS; PARAFFINS;

EID: 84923902418     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ces.2014.09.031     Document Type: Article
Times cited : (35)

References (46)
  • 1
    • 33846437803 scopus 로고    scopus 로고
    • Molecular dynamics simulation of benzene diffusion in MOF-5: importance of lattice dynamics
    • Amirjalayer S., Tafipolsky M., Schmid R. Molecular dynamics simulation of benzene diffusion in MOF-5: importance of lattice dynamics. Angew. Chem. -Int. Edit. 2006, 46:463-466.
    • (2006) Angew. Chem. -Int. Edit. , vol.46 , pp. 463-466
    • Amirjalayer, S.1    Tafipolsky, M.2    Schmid, R.3
  • 2
    • 67650080631 scopus 로고    scopus 로고
    • Molecular insight into adsorption and diffusion of alkane isomer mixtures in metal-organic frameworks
    • Babarao R., Tong Y.H., Jiang J. Molecular insight into adsorption and diffusion of alkane isomer mixtures in metal-organic frameworks. J. Phys. Chem. B 2009, 113:9129-9136.
    • (2009) J. Phys. Chem. B , vol.113 , pp. 9129-9136
    • Babarao, R.1    Tong, Y.H.2    Jiang, J.3
  • 3
    • 25844474685 scopus 로고    scopus 로고
    • Different adsorption behaviors of methane and carbon dioxide in the isotypic nanoporous metal terephthalates MIL-53 and MIL-47
    • Bourrelly S., Llewellyn P.L., Serre C., Millange F., Loiseau T., Férey G. Different adsorption behaviors of methane and carbon dioxide in the isotypic nanoporous metal terephthalates MIL-53 and MIL-47. J. Am. Chem. Soc. 2005, 127:13519-13521.
    • (2005) J. Am. Chem. Soc. , vol.127 , pp. 13519-13521
    • Bourrelly, S.1    Llewellyn, P.L.2    Serre, C.3    Millange, F.4    Loiseau, T.5    Férey, G.6
  • 4
    • 55749107996 scopus 로고    scopus 로고
    • Adsorption and diffusion of alkanes in CuBTC crystals investigated using infra-red microscopy and molecular simulations
    • Chmelik C., Kärger J., Wiebcke M., Caro J., van Baten J.M., Krishna R. Adsorption and diffusion of alkanes in CuBTC crystals investigated using infra-red microscopy and molecular simulations. Micropor. Mesopor. Mater. 2009, 117:22-32.
    • (2009) Micropor. Mesopor. Mater. , vol.117 , pp. 22-32
    • Chmelik, C.1    Kärger, J.2    Wiebcke, M.3    Caro, J.4    van Baten, J.M.5    Krishna, R.6
  • 6
    • 70349840940 scopus 로고    scopus 로고
    • Application of metal-organic frameworks with coordinatively unsaturated metal sites in storage and separation of methane and carbon dioxide
    • Dietzel P.D.C., Besikiotis V., Blom R. Application of metal-organic frameworks with coordinatively unsaturated metal sites in storage and separation of methane and carbon dioxide. J. Mater. Chem. 2009, 19:7362-7370.
    • (2009) J. Mater. Chem. , vol.19 , pp. 7362-7370
    • Dietzel, P.D.C.1    Besikiotis, V.2    Blom, R.3
  • 7
    • 34248679614 scopus 로고    scopus 로고
    • Recent developments in the molecular modeling of diffusion in nanoporous materials
    • Dubbeldam D., Snurr R.Q. Recent developments in the molecular modeling of diffusion in nanoporous materials. Mol. Simulat. 2007, 33:305-325.
    • (2007) Mol. Simulat. , vol.33 , pp. 305-325
    • Dubbeldam, D.1    Snurr, R.Q.2
  • 8
    • 11144356929 scopus 로고    scopus 로고
    • Design of new materials for methane storage
    • Düren T., Sarkisov L., Yaghi O.M., Snurr R.Q. Design of new materials for methane storage. Langmuir 2004, 20:2683-2689.
    • (2004) Langmuir , vol.20 , pp. 2683-2689
    • Düren, T.1    Sarkisov, L.2    Yaghi, O.M.3    Snurr, R.Q.4
  • 9
    • 0037127013 scopus 로고    scopus 로고
    • Systematic design of pore size and functionality in isoreticular MOFs and their application in methane storage
    • Eddaoudi M., Kim J., Rosi N., Vodak D., Wachter J., O'Keeffe M., Yaghi O.M. Systematic design of pore size and functionality in isoreticular MOFs and their application in methane storage. Science 2002, 295:469-472.
    • (2002) Science , vol.295 , pp. 469-472
    • Eddaoudi, M.1    Kim, J.2    Rosi, N.3    Vodak, D.4    Wachter, J.5    O'Keeffe, M.6    Yaghi, O.M.7
  • 10
    • 38149015564 scopus 로고    scopus 로고
    • Hybrid porous solids: past, present, future
    • Férey G. Hybrid porous solids: past, present, future. Chem. Soc. Rev. 2008, 37:191-214.
    • (2008) Chem. Soc. Rev. , vol.37 , pp. 191-214
    • Férey, G.1
  • 12
  • 13
    • 0032804118 scopus 로고    scopus 로고
    • Pore size distributions in porous glasses: a computer simulation study
    • Gelb L.D., Gubbins K.E. Pore size distributions in porous glasses: a computer simulation study. Langmuir 1999, 15:305-308.
    • (1999) Langmuir , vol.15 , pp. 305-308
    • Gelb, L.D.1    Gubbins, K.E.2
  • 14
    • 48749140340 scopus 로고
    • Self-diffusion of paraffins and olefins in zeolite Na-X under the influence of residual water-molecules
    • Germanus A., Kärger J., Pfeifer H. Self-diffusion of paraffins and olefins in zeolite Na-X under the influence of residual water-molecules. Zeolites 1984, 4:188-190.
    • (1984) Zeolites , vol.4 , pp. 188-190
    • Germanus, A.1    Kärger, J.2    Pfeifer, H.3
  • 15
    • 0002470693 scopus 로고
    • Intracrystalline self-diffusion of benzene, toluene and xylene isomers in zeolites Na-X
    • Germanus A., Kärger J., Pfeifer H., Samulevic N.N., Zdanov S.P. Intracrystalline self-diffusion of benzene, toluene and xylene isomers in zeolites Na-X. Zeolites 1985, 5:91-95.
    • (1985) Zeolites , vol.5 , pp. 91-95
    • Germanus, A.1    Kärger, J.2    Pfeifer, H.3    Samulevic, N.N.4    Zdanov, S.P.5
  • 19
    • 77956424520 scopus 로고    scopus 로고
    • Unusual chain-length dependance of the diffusion of n-alkanes in the metal-orgnaics framework MIL-47(V): the blowgun effect
    • Jobic H., Riosenbach N., Ghoufi A., Kolokolov D., Yot P.G., Devic T., Serre C., Ferey G., Maurin G. Unusual chain-length dependance of the diffusion of n-alkanes in the metal-orgnaics framework MIL-47(V): the blowgun effect. Chem.-Eur. J. 2010, 16:10337-10341.
    • (2010) Chem.-Eur. J. , vol.16 , pp. 10337-10341
    • Jobic, H.1    Riosenbach, N.2    Ghoufi, A.3    Kolokolov, D.4    Yot, P.G.5    Devic, T.6    Serre, C.7    Ferey, G.8    Maurin, G.9
  • 20
    • 0002365946 scopus 로고
    • NMR self-diffusion studies in zeolite science and technology
    • Kärger J., Pfeifer H. NMR self-diffusion studies in zeolite science and technology. Zeolites 1987, 7:90-107.
    • (1987) Zeolites , vol.7 , pp. 90-107
    • Kärger, J.1    Pfeifer, H.2
  • 22
    • 37349049981 scopus 로고    scopus 로고
    • Insights into diffusion of gases in zeolites gained from molecular dynamics simulations
    • Krishna R., van Baten J.M. Insights into diffusion of gases in zeolites gained from molecular dynamics simulations. Micropor. Mesopor. Mat. 2008, 109:91-108.
    • (2008) Micropor. Mesopor. Mat. , vol.109 , pp. 91-108
    • Krishna, R.1    van Baten, J.M.2
  • 23
    • 65349147700 scopus 로고    scopus 로고
    • The pervasive chemistry of metal-organic frameworks
    • Long J.R., Yaghi O.M. The pervasive chemistry of metal-organic frameworks. Chem. Soc. Rev. 2009, 38:1213-1214.
    • (2009) Chem. Soc. Rev. , vol.38 , pp. 1213-1214
    • Long, J.R.1    Yaghi, O.M.2
  • 24
    • 38349134574 scopus 로고    scopus 로고
    • Metal-organic framework from an anthracene derivative containing nanoscopic cages exhibiting high methane uptake
    • Ma S., Sun D., Simmons J.M., Collier C.D., Yuan D., Zhou H.-C. Metal-organic framework from an anthracene derivative containing nanoscopic cages exhibiting high methane uptake. J. Am. Chem. Soc. 2008, 130:1012-1016.
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 1012-1016
    • Ma, S.1    Sun, D.2    Simmons, J.M.3    Collier, C.D.4    Yuan, D.5    Zhou, H.-C.6
  • 25
    • 72149109322 scopus 로고    scopus 로고
    • Gas storage in porous metal-organic frameworks for clean energy applications
    • Ma S., Zhou H.-C. Gas storage in porous metal-organic frameworks for clean energy applications. Chem. Commun. 2010, 46:44-53.
    • (2010) Chem. Commun. , vol.46 , pp. 44-53
    • Ma, S.1    Zhou, H.-C.2
  • 26
    • 0001061046 scopus 로고    scopus 로고
    • Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes
    • Martin M.G., Siepmann J.I. Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes. J. Phys. Chem. B 1998, 102:2569-2577.
    • (1998) J. Phys. Chem. B , vol.102 , pp. 2569-2577
    • Martin, M.G.1    Siepmann, J.I.2
  • 27
    • 84888602334 scopus 로고    scopus 로고
    • Evaluating metal-organic frameworks for natural gas storage
    • Mason J.A., Veenstra M., Long J.R. Evaluating metal-organic frameworks for natural gas storage. Chem. Sci. 2014, 5:32-51.
    • (2014) Chem. Sci. , vol.5 , pp. 32-51
    • Mason, J.A.1    Veenstra, M.2    Long, J.R.3
  • 28
    • 9144240095 scopus 로고
    • DREIDING - A generic force-field for molecular simulations
    • Mayo S.L., Olafson B.D., Goddard W.A. DREIDING - A generic force-field for molecular simulations. J. Phys. Chem. 1990, 94:8897-8909.
    • (1990) J. Phys. Chem. , vol.94 , pp. 8897-8909
    • Mayo, S.L.1    Olafson, B.D.2    Goddard, W.A.3
  • 31
    • 58149085770 scopus 로고    scopus 로고
    • The reticular chemistry structure resource (RCSR) database of, and symbols for, crystal nets
    • O'Keeffe M., Peskov M.A., Ramsden S.J., Yaghi O.M. The reticular chemistry structure resource (RCSR) database of, and symbols for, crystal nets. Accounts Chem. Res. 2008, 41:1782-1789.
    • (2008) Accounts Chem. Res. , vol.41 , pp. 1782-1789
    • O'Keeffe, M.1    Peskov, M.A.2    Ramsden, S.J.3    Yaghi, O.M.4
  • 32
    • 84882270355 scopus 로고    scopus 로고
    • Methane storage in metal-organic frameworks: current records, surprise findings, and challenges
    • Peng Y., Krungleviciute V., Eryazici I., Hupp J.T., Farha O.K., Yildirim T. Methane storage in metal-organic frameworks: current records, surprise findings, and challenges. J. Am. Chem. Soc. 2013, 135:11887-11894.
    • (2013) J. Am. Chem. Soc. , vol.135 , pp. 11887-11894
    • Peng, Y.1    Krungleviciute, V.2    Eryazici, I.3    Hupp, J.T.4    Farha, O.K.5    Yildirim, T.6
  • 33
    • 0002467378 scopus 로고
    • Fast parallel algorithms for short-range molecular-dynamics
    • Plimpton S. Fast parallel algorithms for short-range molecular-dynamics. J. Comput. Phy. 1995, 117:1-19.
    • (1995) J. Comput. Phy. , vol.117 , pp. 1-19
    • Plimpton, S.1
  • 34
    • 84867398118 scopus 로고    scopus 로고
    • Diffusion of long chain n-alkanes in the metal-organic frameowrk MIL-47(V): a combination of neutron scattering experiments and molecular dynamics simulations
    • Rives S., Jobic H., Ragon F., Devic T., Serre C., Ferey G., Ollivier J., Maurin G. Diffusion of long chain n-alkanes in the metal-organic frameowrk MIL-47(V): a combination of neutron scattering experiments and molecular dynamics simulations. Micropor. Mesopor. Mater. 2012, 164:259-265.
    • (2012) Micropor. Mesopor. Mater. , vol.164 , pp. 259-265
    • Rives, S.1    Jobic, H.2    Ragon, F.3    Devic, T.4    Serre, C.5    Ferey, G.6    Ollivier, J.7    Maurin, G.8
  • 35
    • 84903754599 scopus 로고    scopus 로고
    • Diffusion of light hydrocarbons in flexible MIL-53(Cr) metal-organic framework: a combination of quasi-elastic neutron scattering and molecular dynamics simulation
    • Rosenbach N.J., Jobic H., Ghoufi A., Devic T., Koza M.M., Ramsahye N., Mota C.J., Serre C., Maurin G. Diffusion of light hydrocarbons in flexible MIL-53(Cr) metal-organic framework: a combination of quasi-elastic neutron scattering and molecular dynamics simulation. J. Phys. Chem. C 2014, 118:14471-14477.
    • (2014) J. Phys. Chem. C , vol.118 , pp. 14471-14477
    • Rosenbach, N.J.1    Jobic, H.2    Ghoufi, A.3    Devic, T.4    Koza, M.M.5    Ramsahye, N.6    Mota, C.J.7    Serre, C.8    Maurin, G.9
  • 36
    • 3242693573 scopus 로고    scopus 로고
    • Metal-organic frameworks: a new class of porous materials
    • Rowsell J.L.C., Yaghi O.M. Metal-organic frameworks: a new class of porous materials. Micropor. Mesopor. Mater. 2004, 73:3-14.
    • (2004) Micropor. Mesopor. Mater. , vol.73 , pp. 3-14
    • Rowsell, J.L.C.1    Yaghi, O.M.2
  • 37
    • 2542540074 scopus 로고    scopus 로고
    • Molecular modelling of adsorption in novel nanoporous metal-organic materials
    • Sarkisov L., Duren T., Snurr R.Q. Molecular modelling of adsorption in novel nanoporous metal-organic materials. Mol. Phy. 2004, 102:211.
    • (2004) Mol. Phy. , vol.102 , pp. 211
    • Sarkisov, L.1    Duren, T.2    Snurr, R.Q.3
  • 38
    • 81255190739 scopus 로고    scopus 로고
    • Computational structure characterisation tools in application to ordered and disordered porous materials
    • Sarkisov L., Harrison A. Computational structure characterisation tools in application to ordered and disordered porous materials. Mol. Simulat. 2011, 37:1248-1257.
    • (2011) Mol. Simulat. , vol.37 , pp. 1248-1257
    • Sarkisov, L.1    Harrison, A.2
  • 41
    • 84867366599 scopus 로고    scopus 로고
    • A highly porous metal-organic framework, constructed from a cuboctahedral super-molecular building block, with exceptionally high methane uptake
    • Stoeck U., Krause S., Bon V., Senkovska I., Kaskel S. A highly porous metal-organic framework, constructed from a cuboctahedral super-molecular building block, with exceptionally high methane uptake. Chem. Commun. 2012, 48:10841-10843.
    • (2012) Chem. Commun. , vol.48 , pp. 10841-10843
    • Stoeck, U.1    Krause, S.2    Bon, V.3    Senkovska, I.4    Kaskel, S.5
  • 45
    • 67949104844 scopus 로고    scopus 로고
    • High-capacity methane storage in metal-organic frameworks M2(dhtp): the important role of open metal sites
    • Wu H., Zhou W., Yildirim T. High-capacity methane storage in metal-organic frameworks M2(dhtp): the important role of open metal sites. J. Am. Chem. Soc. 2009, 131:4995-5000.
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 4995-5000
    • Wu, H.1    Zhou, W.2    Yildirim, T.3
  • 46
    • 77953983635 scopus 로고    scopus 로고
    • Design of new metal-organic frameworks for methane storage
    • Zhou Z., Xue C., Yang Q., Zhong C. Design of new metal-organic frameworks for methane storage. Acta Chim. Sinica 2009, 67:477-482.
    • (2009) Acta Chim. Sinica , vol.67 , pp. 477-482
    • Zhou, Z.1    Xue, C.2    Yang, Q.3    Zhong, C.4


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