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Volumn 118, Issue 17, 2014, Pages 8788-8794

Adsorption and diffusion of CO2 and CH4 in zeolitic imidazolate framework-8: Effect of structural flexibility

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; COMPUTER SIMULATION; DIFFUSION; FREE ENERGY; MIXTURES;

EID: 84899855850     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp500796e     Document Type: Article
Times cited : (137)

References (40)
  • 2
    • 75449104346 scopus 로고    scopus 로고
    • Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic Imidazolate Frameworks
    • Phan, A.; Doonan, C. J.; Uribe-Romo, F. J.; Knobler, C. B.; O'Keeffe, M.; Yaghi, O. M. Synthesis, Structure, and Carbon Dioxide Capture Properties of Zeolitic Imidazolate Frameworks Acc. Chem. Res. 2010, 43, 58-67
    • (2010) Acc. Chem. Res. , vol.43 , pp. 58-67
    • Phan, A.1    Doonan, C.J.2    Uribe-Romo, F.J.3    Knobler, C.B.4    O'Keeffe, M.5    Yaghi, O.M.6
  • 5
    • 79954479785 scopus 로고    scopus 로고
    • Zeolitic Imidazolate Framework-8 as a Reverse Osmosis Membrane for Water Desalination: Insight from Molecular Simulation
    • Hu, Z. Q.; Chen, Y. F.; Jiang, J. W. Zeolitic Imidazolate Framework-8 as a Reverse Osmosis Membrane for Water Desalination: Insight from Molecular Simulation J. Chem. Phys. 2011, 134, 134705
    • (2011) J. Chem. Phys. , vol.134 , pp. 134705
    • Hu, Z.Q.1    Chen, Y.F.2    Jiang, J.W.3
  • 7
    • 70450175984 scopus 로고    scopus 로고
    • Zeolitic Imidazolate Framework Membrane with Molecular Sieving Properties by Microwave-Assisted Solvothermal Synthesis
    • Bux, H.; Liang, F.; Li, Y.; Cravillon, J.; Wiebcke, M.; Caro, J. Zeolitic Imidazolate Framework Membrane with Molecular Sieving Properties by Microwave-Assisted Solvothermal Synthesis J. Am. Chem. Soc. 2009, 131, 16000-16003
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 16000-16003
    • Bux, H.1    Liang, F.2    Li, Y.3    Cravillon, J.4    Wiebcke, M.5    Caro, J.6
  • 9
    • 79251605978 scopus 로고    scopus 로고
    • Ethene/Ethane Separation by MOF Membrane ZIF-8: Molecular Correlation of Permeation, Adsorption, Diffusion
    • Bux, H.; Chmelik, C.; Krishna, R.; Caro, J. Ethene/Ethane Separation by MOF Membrane ZIF-8: Molecular Correlation of Permeation, Adsorption, Diffusion J. Membr. Sci. 2011, 369, 284-289
    • (2011) J. Membr. Sci. , vol.369 , pp. 284-289
    • Bux, H.1    Chmelik, C.2    Krishna, R.3    Caro, J.4
  • 16
    • 78149419137 scopus 로고    scopus 로고
    • Novel MOF-Membrane for Molecular Sieving Predicted by IR-Diffusion Studies and Molecular Modeling
    • Bux, H.; Chmelik, C.; van Baten, J. M.; Krishna, R.; Caro, J. Novel MOF-Membrane for Molecular Sieving Predicted by IR-Diffusion Studies and Molecular Modeling Adv. Mater. 2010, 22, 4741-4744
    • (2010) Adv. Mater. , vol.22 , pp. 4741-4744
    • Bux, H.1    Chmelik, C.2    Van Baten, J.M.3    Krishna, R.4    Caro, J.5
  • 18
    • 84855895474 scopus 로고    scopus 로고
    • Force Field for Molecular Dynamics Computations in Flexible ZIF-8 Framework
    • Zheng, B.; Sant, M.; Demontis, P.; Suffritti, G. B. Force Field for Molecular Dynamics Computations in Flexible ZIF-8 Framework J. Phys. Chem. C 2012, 116, 933-938
    • (2012) J. Phys. Chem. C , vol.116 , pp. 933-938
    • Zheng, B.1    Sant, M.2    Demontis, P.3    Suffritti, G.B.4
  • 19
    • 84880303564 scopus 로고    scopus 로고
    • Molecular Dynamics Simulations on Gate Opening in ZIF-8: Identification of Factors for Ethane and Propane Separation
    • Zheng, B.; Pan, Y.; Lai, Z.; Huang, K.-W. Molecular Dynamics Simulations on Gate Opening in ZIF-8: Identification of Factors for Ethane and Propane Separation Langmuir 2013, 29, 8865-8872
    • (2013) Langmuir , vol.29 , pp. 8865-8872
    • Zheng, B.1    Pan, Y.2    Lai, Z.3    Huang, K.-W.4
  • 20
    • 77249152888 scopus 로고    scopus 로고
    • Atomistic Simulation Studies on the Dynamics and Thermodynamics of Nonpolar Molecules within the Zeolite Imidazolate Framework-8
    • Pantatosaki, E.; Pazzona, F. G.; Megariotis, G.; Papadopoulos, G. K. Atomistic Simulation Studies on the Dynamics and Thermodynamics of Nonpolar Molecules within the Zeolite Imidazolate Framework-8 J. Phys. Chem. B 2010, 114, 2493-2503
    • (2010) J. Phys. Chem. B , vol.114 , pp. 2493-2503
    • Pantatosaki, E.1    Pazzona, F.G.2    Megariotis, G.3    Papadopoulos, G.K.4
  • 23
    • 84863529089 scopus 로고    scopus 로고
    • Development of a Force Field for Zeolitic Imidazolate Framework-8 with Structural Flexibility
    • Hu, Z. Q.; Zhang, L. L.; Jiang, J. W. Development of a Force Field for Zeolitic Imidazolate Framework-8 with Structural Flexibility J. Chem. Phys. 2012, 136, 244703
    • (2012) J. Chem. Phys. , vol.136 , pp. 244703
    • Hu, Z.Q.1    Zhang, L.L.2    Jiang, J.W.3
  • 24
    • 84874883152 scopus 로고    scopus 로고
    • Sorption-Induced Structural Transition of Zeolitic Imidazolate Framework-8: A Hybrid Molecular Simulation Study
    • Zhang, L.; Hu, Z.; Jiang, J. W. Sorption-Induced Structural Transition of Zeolitic Imidazolate Framework-8: A Hybrid Molecular Simulation Study J. Am. Chem. Soc. 2013, 135, 3722-3728
    • (2013) J. Am. Chem. Soc. , vol.135 , pp. 3722-3728
    • Zhang, L.1    Hu, Z.2    Jiang, J.W.3
  • 25
    • 0042041206 scopus 로고
    • UFF, a Full Periodic-Table Force-Field for Molecular Mechanics and Molecular-Dynamics Simulations
    • 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. 1992, 114, 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
  • 26
    • 79959231217 scopus 로고    scopus 로고
    • Estimation of Partial Charges in Small Zeolite Imidazolate Frameworks from Density Functional Theory Calculations
    • Rana, M. K.; Pazzona, F. G.; Suffritti, G. B.; Demontis, P.; Masia, M. Estimation of Partial Charges in Small Zeolite Imidazolate Frameworks from Density Functional Theory Calculations J. Chem. Theory Comput. 2011, 7, 1575-1582
    • (2011) J. Chem. Theory Comput. , vol.7 , pp. 1575-1582
    • Rana, M.K.1    Pazzona, F.G.2    Suffritti, G.B.3    Demontis, P.4    Masia, M.5
  • 28
    • 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
  • 29
    • 36348948030 scopus 로고    scopus 로고
    • Hydrogen and Methane Adsorption in Metal-Organic Frameworks: A High-Pressure Volumetric Study
    • Zhou, W.; Wu, H.; Hartman, M. R.; Yildirim, T. Hydrogen and Methane Adsorption in Metal-Organic Frameworks: A High-Pressure Volumetric Study J. Phys. Chem. C 2007, 111, 16131-16137
    • (2007) J. Phys. Chem. C , vol.111 , pp. 16131-16137
    • Zhou, W.1    Wu, H.2    Hartman, M.R.3    Yildirim, T.4
  • 30
    • 84890400944 scopus 로고    scopus 로고
    • 4 Alcohols in Zeolitic Imidazolate Framework-8: Effects of Force Fields, Atomic Charges and Framework Flexibility
    • 4 Alcohols in Zeolitic Imidazolate Framework-8: Effects of Force Fields, Atomic Charges and Framework Flexibility J. Phys. Chem. C 2013, 117, 25628-25635
    • (2013) J. Phys. Chem. C , vol.117 , pp. 25628-25635
    • Zhang, K.1    Zhang, L.L.2    Jiang, J.W.3
  • 32
    • 34247891596 scopus 로고    scopus 로고
    • Hydrogen Storage in a Prototypical Zeolitic Imidazolate Framework-8
    • Wu, H.; Zhou, W.; Yildirim, T. Hydrogen Storage in a Prototypical Zeolitic Imidazolate Framework-8 J. Am. Chem. Soc. 2007, 129, 5314-5316
    • (2007) J. Am. Chem. Soc. , vol.129 , pp. 5314-5316
    • Wu, H.1    Zhou, W.2    Yildirim, T.3
  • 33
    • 64549123766 scopus 로고    scopus 로고
    • Methane Adsorption in Nanoporous Metal-Organic Frameworks and First-Order Phase Transition of Confined Methane
    • Wu, H.; Zhou, W.; Yildirim, T. Methane Adsorption in Nanoporous Metal-Organic Frameworks and First-Order Phase Transition of Confined Methane J. Phys. Chem. C 2009, 113, 3029-3035
    • (2009) J. Phys. Chem. C , vol.113 , pp. 3029-3035
    • Wu, H.1    Zhou, W.2    Yildirim, T.3
  • 35
    • 77954255427 scopus 로고    scopus 로고
    • Molecular Understanding for the Adsorption of Water and Alcohols in Hydrophilic and Hydrophobic Zeolitic Metal-Organic Frameworks
    • Nalaparaju, A.; Zhao, X. S.; Jiang, J. W. Molecular Understanding for the Adsorption of Water and Alcohols in Hydrophilic and Hydrophobic Zeolitic Metal-Organic Frameworks J. Phys. Chem. C 2010, 114, 11542-11550
    • (2010) J. Phys. Chem. C , vol.114 , pp. 11542-11550
    • Nalaparaju, A.1    Zhao, X.S.2    Jiang, J.W.3
  • 38
    • 66549104850 scopus 로고    scopus 로고
    • 4 Mixture in Metal-Exposed, Catenated and Charged Metal-Organic Frameworks: Insight from Molecular Simulation
    • 4 Mixture in Metal-Exposed, Catenated and Charged Metal-Organic Frameworks: Insight from Molecular Simulation Langmuir 2009, 25, 5239-5247
    • (2009) Langmuir , vol.25 , pp. 5239-5247
    • Babarao, R.1    Jiang, J.W.2    Sandler, S.I.3
  • 39
    • 77952795571 scopus 로고    scopus 로고
    • Metal Organic Framework MIL-101 for Adsorption and Effect of Terminal Water Molecules: From Quantum Mechanics to Molecular Simulation
    • Chen, Y. F.; Babarao, R.; Sandler, S. I.; Jiang, J. W. Metal Organic Framework MIL-101 for Adsorption and Effect of Terminal Water Molecules: From Quantum Mechanics to Molecular Simulation Langmuir 2010, 26, 8743-8750
    • (2010) Langmuir , vol.26 , pp. 8743-8750
    • Chen, Y.F.1    Babarao, R.2    Sandler, S.I.3    Jiang, J.W.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.