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Volumn 318, Issue 1-2, 2008, Pages 327-333

Analyzing diffusion behaviors of methanol/water through MFI membranes by molecular simulation

Author keywords

Diffusion; HZSM 5; MFI membranes; Molecular stimulation

Indexed keywords

CONCENTRATION (PROCESS); DIFFUSION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; THERMAL EFFECTS;

EID: 43549088289     PISSN: 03767388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.memsci.2008.02.059     Document Type: Article
Times cited : (43)

References (35)
  • 1
    • 33645900578 scopus 로고    scopus 로고
    • Modeling of methane permeation through a defective region in MFI-type zeolite membranes
    • Takaba H., Yamamoto A., and Nakao S. Modeling of methane permeation through a defective region in MFI-type zeolite membranes. Desalination 192 (2006) 82-90
    • (2006) Desalination , vol.192 , pp. 82-90
    • Takaba, H.1    Yamamoto, A.2    Nakao, S.3
  • 2
    • 33847285473 scopus 로고    scopus 로고
    • Anayzing adsorption and diffusion behaviors of ethanol/water through silicalite membranes by molecular simulation
    • Yang J.Z., Liu Q.L., and Wang H.T. Anayzing adsorption and diffusion behaviors of ethanol/water through silicalite membranes by molecular simulation. J. Membr. Sci. 291 (2007) 1-9
    • (2007) J. Membr. Sci. , vol.291 , pp. 1-9
    • Yang, J.Z.1    Liu, Q.L.2    Wang, H.T.3
  • 4
    • 0035906095 scopus 로고    scopus 로고
    • Separation of 1,3-propanediol from aqueous solutions using pervaporation through an X-type zeolite membrane
    • Li S.G., Tuan V.A., John L.F., and Noble R.D. Separation of 1,3-propanediol from aqueous solutions using pervaporation through an X-type zeolite membrane. Ind. Eng. Chem. Res. 40 (2001) 1952-1959
    • (2001) Ind. Eng. Chem. Res. , vol.40 , pp. 1952-1959
    • Li, S.G.1    Tuan, V.A.2    John, L.F.3    Noble, R.D.4
  • 5
    • 31344451417 scopus 로고    scopus 로고
    • Preparation of zeolite NaA membranes on the inner side of tubular supports by means of a controlled seeding technique
    • Marc P.T., Joan L., and Fidel C. Preparation of zeolite NaA membranes on the inner side of tubular supports by means of a controlled seeding technique. Catal. Today 104 (2005) 281-287
    • (2005) Catal. Today , vol.104 , pp. 281-287
    • Marc, P.T.1    Joan, L.2    Fidel, C.3
  • 6
    • 0037056892 scopus 로고    scopus 로고
    • 6 isomer mixtures and alcohol-water solutions by monolith supported B-ZSM-5 membranes
    • 6 isomer mixtures and alcohol-water solutions by monolith supported B-ZSM-5 membranes. Desalination 147 (2002) 331-332
    • (2002) Desalination , vol.147 , pp. 331-332
    • Travis, C.B.1    Kalipcilar, H.2    John, L.F.3    Richard, D.N.4
  • 8
    • 0030596627 scopus 로고    scopus 로고
    • Organics/water separation by pervaporation with a zeolite membrane
    • Liu Q., Noble R.D., Falconer J.L., and Funke H.H. Organics/water separation by pervaporation with a zeolite membrane. J. Membr. Sci. 117 (1996) 163-174
    • (1996) J. Membr. Sci. , vol.117 , pp. 163-174
    • Liu, Q.1    Noble, R.D.2    Falconer, J.L.3    Funke, H.H.4
  • 12
    • 34047220569 scopus 로고    scopus 로고
    • Diffusion of methanol in zeolite NaY: a molecular dynamics study
    • Plant D.F., Maurin G., and Bell R.G. Diffusion of methanol in zeolite NaY: a molecular dynamics study. J. Phys. Chem. B 111 (2007) 2836-2844
    • (2007) J. Phys. Chem. B , vol.111 , pp. 2836-2844
    • Plant, D.F.1    Maurin, G.2    Bell, R.G.3
  • 13
    • 29044441654 scopus 로고    scopus 로고
    • Diffusion of volatile organic chemicals in porous media. 1. Alcohol/natural zeolite systems
    • Sakintuna B., Fakioglu E., and Yürüm Y. Diffusion of volatile organic chemicals in porous media. 1. Alcohol/natural zeolite systems. Energy Fuels 19 (2005) 2219-2224
    • (2005) Energy Fuels , vol.19 , pp. 2219-2224
    • Sakintuna, B.1    Fakioglu, E.2    Yürüm, Y.3
  • 14
    • 33748556517 scopus 로고    scopus 로고
    • Modeling the concentration dependence of the methanol self-diffusivity in faujasite system: comparison with the liquid phase
    • Plant D.F., Maurin G., and Bell R.G. Modeling the concentration dependence of the methanol self-diffusivity in faujasite system: comparison with the liquid phase. J. Phys. Chem. B 110 (2006) 15926-15931
    • (2006) J. Phys. Chem. B , vol.110 , pp. 15926-15931
    • Plant, D.F.1    Maurin, G.2    Bell, R.G.3
  • 15
    • 2442471879 scopus 로고    scopus 로고
    • Inhibition during multicomponent diffusion through ZSM-5 zeolite
    • Bowen T.C., Whss J.C., Noble R.D., and Falconer J.L. Inhibition during multicomponent diffusion through ZSM-5 zeolite. Ind. Eng. Chem. Res. 43 (2004) 2598-2601
    • (2004) Ind. Eng. Chem. Res. , vol.43 , pp. 2598-2601
    • Bowen, T.C.1    Whss, J.C.2    Noble, R.D.3    Falconer, J.L.4
  • 16
    • 33745161355 scopus 로고    scopus 로고
    • Molecular simulation of diffusion coefficients in alcohol solution
    • Yang L., Yuan Q.P., and Yang X.J. Molecular simulation of diffusion coefficients in alcohol solution. J. Chem. Eng. Chin. Univ. 20 (2006) 296-299
    • (2006) J. Chem. Eng. Chin. Univ. , vol.20 , pp. 296-299
    • Yang, L.1    Yuan, Q.P.2    Yang, X.J.3
  • 17
    • 4243956794 scopus 로고
    • Diffusion coefficients of methanol and water and mutual diffusion coefficient in methanol-water solutions at 278 and 298 K
    • Derlacki Z.J., Easteal A.J., Edge A.V.J., Woolf L.A., and Roksandic Z. Diffusion coefficients of methanol and water and mutual diffusion coefficient in methanol-water solutions at 278 and 298 K. J. Phys. Chem. 89 (1985) 5318-5322
    • (1985) J. Phys. Chem. , vol.89 , pp. 5318-5322
    • Derlacki, Z.J.1    Easteal, A.J.2    Edge, A.V.J.3    Woolf, L.A.4    Roksandic, Z.5
  • 18
    • 11844292864 scopus 로고
    • High-temperature (350 K) orthorhombic framework structure of zeolite HZSM-5
    • van Koningsveld H. High-temperature (350 K) orthorhombic framework structure of zeolite HZSM-5. Acta Crystallogr. B46 (1990) 731-735
    • (1990) Acta Crystallogr. , vol.B46 , pp. 731-735
    • van Koningsveld, H.1
  • 19
    • 0011202125 scopus 로고
    • Crystal structure and structure-related properties of ZSM-5
    • Olson D.H., Kodotallo G.T., and Lawton S.L. Crystal structure and structure-related properties of ZSM-5. J. Phys. Chem. 85 (1981) 2238-2243
    • (1981) J. Phys. Chem. , vol.85 , pp. 2238-2243
    • Olson, D.H.1    Kodotallo, G.T.2    Lawton, S.L.3
  • 20
    • 0025413946 scopus 로고
    • The monoclinic framework structure of zeolite HZSM-5. Comparison with the orthorhombic framework of as-synthesized ZSM-5
    • van Koningsveld H., Jansenand J.C., and van Bekkum H. The monoclinic framework structure of zeolite HZSM-5. Comparison with the orthorhombic framework of as-synthesized ZSM-5. Zeolites 10 (1990) 235-242
    • (1990) Zeolites , vol.10 , pp. 235-242
    • van Koningsveld, H.1    Jansenand, J.C.2    van Bekkum, H.3
  • 21
    • 43549126738 scopus 로고    scopus 로고
    • E. de Vos Burchart, PhD Dissertation, Studies on zeolites: molecular mechanics, framework stability and growth, Delft University of Technology, The Nertherlands, 1992.
    • E. de Vos Burchart, PhD Dissertation, Studies on zeolites: molecular mechanics, framework stability and growth, Delft University of Technology, The Nertherlands, 1992.
  • 23
    • 0142006759 scopus 로고
    • Computer simulation study on isomorphously substituted silicalites
    • Smirnov K.S., and Kudryashova M.V. Computer simulation study on isomorphously substituted silicalites. Micropor. Mater. 5 (1995) 9-15
    • (1995) Micropor. Mater. , vol.5 , pp. 9-15
    • Smirnov, K.S.1    Kudryashova, M.V.2
  • 24
    • 0347083204 scopus 로고    scopus 로고
    • Delft molecular mechanics study on the structures of monoclinic MFI and H[Al]ZSM-5
    • Fan J.F., Xiao H.M., van de Graaf B., and Njo S.L. Delft molecular mechanics study on the structures of monoclinic MFI and H[Al]ZSM-5. Chin. J. Struct. Chem. 18 (1999) 361-367
    • (1999) Chin. J. Struct. Chem. , vol.18 , pp. 361-367
    • Fan, J.F.1    Xiao, H.M.2    van de Graaf, B.3    Njo, S.L.4
  • 27
    • 0001189010 scopus 로고    scopus 로고
    • COMPASS: an ab initio force-field optimized for condensed-phase application-overview with details on alkane and benzene compounds
    • Sun H. COMPASS: an ab initio force-field optimized for condensed-phase application-overview with details on alkane and benzene compounds. J. Phys. Chem. B 102 (1998) 7338-7364
    • (1998) J. Phys. Chem. B , vol.102 , pp. 7338-7364
    • Sun, H.1
  • 28
    • 33845752147 scopus 로고    scopus 로고
    • Monte carlo simulations of water adsorption isotherms in silicalite and dealuminated zeolite Y
    • Fleys M., and Thompson R.W. Monte carlo simulations of water adsorption isotherms in silicalite and dealuminated zeolite Y. J. Chem. Theory Comput. 1 (2005) 453-458
    • (2005) J. Chem. Theory Comput. , vol.1 , pp. 453-458
    • Fleys, M.1    Thompson, R.W.2
  • 29
    • 0000026966 scopus 로고    scopus 로고
    • Explicit reversible integrators for extended systems dynamics
    • Martyna G.J., Tuckerman M.E., Tobias D.J., and Klein M.L. Explicit reversible integrators for extended systems dynamics. Mol. Phys. 87 (1996) 1117-1157
    • (1996) Mol. Phys. , vol.87 , pp. 1117-1157
    • Martyna, G.J.1    Tuckerman, M.E.2    Tobias, D.J.3    Klein, M.L.4
  • 30
    • 9444232699 scopus 로고
    • Molecular dynamics simulations in zeolites from deterministic to random motion
    • Amrami S.E., and Kolb M. Molecular dynamics simulations in zeolites from deterministic to random motion. J. Chem. Phys. 98 (1993) 1509-1513
    • (1993) J. Chem. Phys. , vol.98 , pp. 1509-1513
    • Amrami, S.E.1    Kolb, M.2
  • 31
    • 43549090725 scopus 로고    scopus 로고
    • Calorimetric study of alcohol and nitride adsorption complexes in H-ZSM-5
    • Lee C.C., and Gorte R.J. Calorimetric study of alcohol and nitride adsorption complexes in H-ZSM-5. J. Phys. Chem. B 102 (1998) 7338-7364
    • (1998) J. Phys. Chem. B , vol.102 , pp. 7338-7364
    • Lee, C.C.1    Gorte, R.J.2
  • 32
    • 43549117127 scopus 로고    scopus 로고
    • D.C. Lin, Simulation on the interaction between siliceous zeolites and organics molecules and crystallization characteristics on low-silica zeolites, Ph.D. Thesis, Fudan University, Shanghai, China, 2003.
    • D.C. Lin, Simulation on the interaction between siliceous zeolites and organics molecules and crystallization characteristics on low-silica zeolites, Ph.D. Thesis, Fudan University, Shanghai, China, 2003.
  • 34
    • 0022716824 scopus 로고
    • Sorption and packing of n-alkane molecules in ZSM-5
    • Richards R.E., and Rees L.V.C. Sorption and packing of n-alkane molecules in ZSM-5. Langmuir 3 (1987) 335-340
    • (1987) Langmuir , vol.3 , pp. 335-340
    • Richards, R.E.1    Rees, L.V.C.2
  • 35
    • 0000874777 scopus 로고    scopus 로고
    • Self-diffusion of supercooled water to 238 K using PGSE NMR diffusion measurements
    • Price W.S., Ide H., and Arata Y. Self-diffusion of supercooled water to 238 K using PGSE NMR diffusion measurements. J. Phys. Chem. A 103 (1999) 448-450
    • (1999) J. Phys. Chem. A , vol.103 , pp. 448-450
    • Price, W.S.1    Ide, H.2    Arata, Y.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.