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Volumn 519, Issue , 2016, Pages 45-54

A new approach for predicting gas separation performances of MOF membranes

Author keywords

Gas separation; Membrane; Metal organic framework; Permeability; Selectivity

Indexed keywords

APPROXIMATION THEORY; CATALYST SELECTIVITY; CRYSTALLINE MATERIALS; FORECASTING; GAS PERMEABILITY; GASES; JAVA PROGRAMMING LANGUAGE; MECHANICAL PERMEABILITY; MEMBRANES; ORGANOMETALLICS; SEPARATION;

EID: 84979917835     PISSN: 03767388     EISSN: 18733123     Source Type: Journal    
DOI: 10.1016/j.memsci.2016.07.039     Document Type: Article
Times cited : (17)

References (42)
  • 1
    • 0035384248 scopus 로고    scopus 로고
    • From molecules to crystal engineering: supramolecular isomerism and polymorphism in network solids
    • [1] Moulton, B., Zaworotko, M.J., From molecules to crystal engineering: supramolecular isomerism and polymorphism in network solids. Chem. Rev. 101 (2001), 1629–1658.
    • (2001) Chem. Rev. , vol.101 , pp. 1629-1658
    • Moulton, B.1    Zaworotko, M.J.2
  • 2
    • 84939863730 scopus 로고    scopus 로고
    • Computational characterization and prediction of metal–organic framework properties
    • [2] Coudert, F.X., Fuchs, A.H., Computational characterization and prediction of metal–organic framework properties. Coord. Chem. Rev. 307 (2016), 211–236.
    • (2016) Coord. Chem. Rev. , vol.307 , pp. 211-236
    • Coudert, F.X.1    Fuchs, A.H.2
  • 3
    • 0034003664 scopus 로고    scopus 로고
    • Highly porous and stable metal–organic frameworks: structure design and sorption properties
    • [3] Eddaoudi, M., Li, H., Yaghi, O.M., Highly porous and stable metal–organic frameworks: structure design and sorption properties. J. Am. Chem. Soc. 122 (2000), 1391–1397.
    • (2000) J. Am. Chem. Soc. , vol.122 , pp. 1391-1397
    • Eddaoudi, M.1    Li, H.2    Yaghi, O.M.3
  • 4
    • 84856968298 scopus 로고    scopus 로고
    • Review and analysis of molecular simulations of methane, hydrogen, and acetylene storage in metal-organic frameworks
    • [4] Getman, R.B., Bae, Y.S., Wilmer, C.E., Snurr, R.Q., Review and analysis of molecular simulations of methane, hydrogen, and acetylene storage in metal-organic frameworks. Chem. Rev. 112 (2012), 703–723.
    • (2012) Chem. Rev. , vol.112 , pp. 703-723
    • Getman, R.B.1    Bae, Y.S.2    Wilmer, C.E.3    Snurr, R.Q.4
  • 5
    • 84979942606 scopus 로고    scopus 로고
    • Molecular Dynamics-Theoretical Developments and Applications in Nanotechnology and Energy, in: L. Wang (Ed.), InTech, 2012.
    • [5] S. Keskin, Molecular Dynamics-Theoretical Developments and Applications in Nanotechnology and Energy, in: L. Wang (Ed.), InTech, 2012.
    • Keskin, S.1
  • 6
    • 84864852255 scopus 로고    scopus 로고
    • Microporous metal-organic framework with potential for carbon dioxide capture at ambient conditions
    • [6] Xiang, S., He, Y., Zhang, Z., Wu, H., Zhou, W., Krishna, R., Chen, B., Microporous metal-organic framework with potential for carbon dioxide capture at ambient conditions. Nat. Commun. 3 (2012), 954–962.
    • (2012) Nat. Commun. , vol.3 , pp. 954-962
    • Xiang, S.1    He, Y.2    Zhang, Z.3    Wu, H.4    Zhou, W.5    Krishna, R.6    Chen, B.7
  • 8
    • 44649144663 scopus 로고    scopus 로고
    • 168 schwarzite, and IRMOF-1: a comparative study from molecular dynamics simulation
    • 168 schwarzite, and IRMOF-1: a comparative study from molecular dynamics simulation. Langmuir 24 (2008), 5474–5484.
    • (2008) Langmuir , vol.24 , pp. 5474-5484
    • Babarao, R.1    Jiang, J.2
  • 10
    • 84934957500 scopus 로고    scopus 로고
    • Methodologies for evaluation of metal-organic frameworks in separation applications
    • [10] Krishna, R., Methodologies for evaluation of metal-organic frameworks in separation applications. R. Soc. Chem. Adv. 5 (2015), 52269–52295.
    • (2015) R. Soc. Chem. Adv. , vol.5 , pp. 52269-52295
    • Krishna, R.1
  • 11
    • 84873090563 scopus 로고    scopus 로고
    • 2 adsorption in ZIF-8, Zeolite-13X and BPL activated carbon
    • 2 adsorption in ZIF-8, Zeolite-13X and BPL activated carbon. Chem. Phys. 412 (2013), 72–76.
    • (2013) Chem. Phys. , vol.412 , pp. 72-76
    • McEwen, J.1    Hayman, J.D.2    Yazaydin, A.O.3
  • 13
    • 84878089724 scopus 로고    scopus 로고
    • Screening metal-organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology
    • [13] Parkes, M.V., Staiger, C.L., Perry, J.J. IV, Allendorf, M.D., Greathouse, J.A., Screening metal-organic frameworks for selective noble gas adsorption in air: effect of pore size and framework topology. Phys. Chem. Chem. Phys. 15 (2013), 9093–9106.
    • (2013) Phys. Chem. Chem. Phys. , vol.15 , pp. 9093-9106
    • Parkes, M.V.1    Staiger, C.L.2    Perry, J.J.3    Allendorf, M.D.4    Greathouse, J.A.5
  • 15
    • 0035443818 scopus 로고    scopus 로고
    • 4 mixtures in faujasite from molecular simulations
    • 4 mixtures in faujasite from molecular simulations. AIChE J. 47 (2001), 2032–2041.
    • (2001) AIChE J. , vol.47 , pp. 2032-2041
    • Sanborn, M.J.1    Snurr, R.Q.2
  • 16
    • 1942533412 scopus 로고    scopus 로고
    • Nonequilibrium thermodynamics of membrane transport
    • [16] Hwang, S.T., Nonequilibrium thermodynamics of membrane transport. AlChE J. 50 (2004), 862–870.
    • (2004) AlChE J. , vol.50 , pp. 862-870
    • Hwang, S.T.1
  • 17
    • 36149006492 scopus 로고
    • Reciprocal relations in irreversible processes. I
    • [17] Onsager, L., Reciprocal relations in irreversible processes. I. Phys. Rev. 37 (1931), 405–426.
    • (1931) Phys. Rev. , vol.37 , pp. 405-426
    • Onsager, L.1
  • 18
    • 36149006040 scopus 로고
    • Reciprocal Relations in irreversible processes. II
    • [18] Onsager, L., Reciprocal Relations in irreversible processes. II. Phys. Rev. 38 (1931), 2265–2279.
    • (1931) Phys. Rev. , vol.38 , pp. 2265-2279
    • Onsager, L.1
  • 19
    • 84979946442 scopus 로고    scopus 로고
    • Accelerating development of metal organic framework membranes using atomically detailed simulations
    • Andrew Zydney Georgia Institute of Technology Atlanta
    • [19] Keskin, S., Accelerating development of metal organic framework membranes using atomically detailed simulations. Zydney, Andrew, (eds.) Chemical and Biomolecular Engineering, 2009, Georgia Institute of Technology, Atlanta.
    • (2009) Chemical and Biomolecular Engineering
    • Keskin, S.1
  • 22
    • 84862993776 scopus 로고    scopus 로고
    • Metal-organic frameworks and related materials for hydrogen purification: interplay of pore size and pore wall polarity
    • [22] Fischer, M., Hoffmann, F., Froba, M., Metal-organic frameworks and related materials for hydrogen purification: interplay of pore size and pore wall polarity. R. Soc. Chem Adv. 2 (2012), 4382–4396.
    • (2012) R. Soc. Chem Adv. , vol.2 , pp. 4382-4396
    • Fischer, M.1    Hoffmann, F.2    Froba, M.3
  • 24
    • 70349925710 scopus 로고    scopus 로고
    • Efficient methods for screening of metal organic framework membranes for gas separations using atomically detailed models
    • [24] Keskin, S., Sholl, D.S., Efficient methods for screening of metal organic framework membranes for gas separations using atomically detailed models. Langmuir 25 (2009), 11786–11795.
    • (2009) Langmuir , vol.25 , pp. 11786-11795
    • Keskin, S.1    Sholl, D.S.2
  • 25
    • 84875200038 scopus 로고    scopus 로고
    • Predicting noble gas separation performance of metal organic frameworks using theoretical correlations
    • [25] Gurdal, Y., Keskin, S., Predicting noble gas separation performance of metal organic frameworks using theoretical correlations. J. Phys. Chem. C 117 (2013), 5229–5241.
    • (2013) J. Phys. Chem. C , vol.117 , pp. 5229-5241
    • Gurdal, Y.1    Keskin, S.2
  • 26
    • 84864704193 scopus 로고    scopus 로고
    • Atomically detailed modeling of metal organic frameworks for adsorption, diffusion, and separation of noble gas mixtures
    • [26] Gurdal, Y., Keskin, S., Atomically detailed modeling of metal organic frameworks for adsorption, diffusion, and separation of noble gas mixtures. Ind. Eng. Chem. Res. 51 (2012), 7373–7382.
    • (2012) Ind. Eng. Chem. Res. , vol.51 , pp. 7373-7382
    • Gurdal, Y.1    Keskin, S.2
  • 27
    • 84870726202 scopus 로고    scopus 로고
    • Understanding Molecular Simulation: From Algorithms to Applications
    • Academic Press San Diego
    • [27] Frenkel, D., Smit, B., Understanding Molecular Simulation: From Algorithms to Applications. 2002, Academic Press, San Diego.
    • (2002)
    • Frenkel, D.1    Smit, B.2
  • 29
    • 0031210560 scopus 로고    scopus 로고
    • Molecular simulations and nmr measurements of binary diffusion in zeolites
    • [29] Snurr, R.Q., Karger, J., Molecular simulations and nmr measurements of binary diffusion in zeolites. J. Phys. Chem. B 101 (1997), 6469–6473.
    • (1997) J. Phys. Chem. B , vol.101 , pp. 6469-6473
    • Snurr, R.Q.1    Karger, J.2
  • 31
    • 9144240095 scopus 로고
    • DREIDING: a generic force field for molecular simulations
    • [31] Mayo, S.L., Olafson, B.D., Goddard, W.A., DREIDING: a generic force field for molecular simulations. J. Phys. Chem. 94 (1990), 8897–8909.
    • (1990) J. Phys. Chem. , vol.94 , pp. 8897-8909
    • Mayo, S.L.1    Olafson, B.D.2    Goddard, W.A.3
  • 32
    • 0042041206 scopus 로고
    • UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
    • [32] Rappe, A.K., Casewit, C.J., Colwell, K.S., Goddard, W.A., Skiff, W.M., UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 114 (1992), 10024–10035.
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 10024-10035
    • Rappe, A.K.1    Casewit, C.J.2    Colwell, K.S.3    Goddard, W.A.4    Skiff, W.M.5
  • 33
    • 79958731395 scopus 로고    scopus 로고
    • Computational screening of metal-organic frameworks for xenon/krypton separation
    • [33] Ryan, P., Farha, O.K., Broadbelt, L.J., Snurr, R.Q., Computational screening of metal-organic frameworks for xenon/krypton separation. AIChE J. 57 (2011), 1759–1766.
    • (2011) AIChE J. , vol.57 , pp. 1759-1766
    • Ryan, P.1    Farha, O.K.2    Broadbelt, L.J.3    Snurr, R.Q.4
  • 38
    • 24944463854 scopus 로고    scopus 로고
    • Self-diffusion and transport diffusion of light gases in metal-organic framework materials assessed using molecular dynamics simulations
    • [38] Skoulidas, A.I., Sholl, D.S., Self-diffusion and transport diffusion of light gases in metal-organic framework materials assessed using molecular dynamics simulations. J. Phys. Chem. B 109 (2005), 15760–15768.
    • (2005) J. Phys. Chem. B , vol.109 , pp. 15760-15768
    • Skoulidas, A.I.1    Sholl, D.S.2
  • 40
    • 4444372564 scopus 로고    scopus 로고
    • Nonequilibrium molecular dynamics simulations of diffusion of binary mixtures containing short n-alkanes in faujasite
    • [40] Chempath, S., Krishna, R., Snurr, R.Q., Nonequilibrium molecular dynamics simulations of diffusion of binary mixtures containing short n-alkanes in faujasite. J. Phys. Chem. B 108 (2004), 13481–13491.
    • (2004) J. Phys. Chem. B , vol.108 , pp. 13481-13491
    • Chempath, S.1    Krishna, R.2    Snurr, R.Q.3
  • 41
    • 43849097235 scopus 로고    scopus 로고
    • Onsager coefficients for binary mixture diffusion in nanopores
    • [41] Krishna, R., van Baten, J.M., Onsager coefficients for binary mixture diffusion in nanopores. Chem. Eng. Sci. 63 (2008), 3120–3140.
    • (2008) Chem. Eng. Sci. , vol.63 , pp. 3120-3140
    • Krishna, R.1    van Baten, J.M.2
  • 42
    • 0036012759 scopus 로고    scopus 로고
    • Self-diffusivities in multicomponent mixtures in zeolites
    • [42] Krishna, R., Paschek, D., Self-diffusivities in multicomponent mixtures in zeolites. Phys. Chem. Chem. Phys. 4 (2002), 1891–1898.
    • (2002) Phys. Chem. Chem. Phys. , vol.4 , pp. 1891-1898
    • Krishna, R.1    Paschek, D.2


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