메뉴 건너뛰기




Volumn 15, Issue 1, 2009, Pages 13-22

Behavior of ethylene and ethane within single-walled carbon nanotubes, 2: Dynamical properties

Author keywords

Carbon nanotubes; Diffusion; Ethane; Ethylene; Molecular dynamics

Indexed keywords

A-DENSITY; BALLISTIC DIFFUSION; BULK PHASE; CONFINED FLUIDS; DIFFUSIVITIES; DOMINANT MODE; DYNAMICAL BEHAVIORS; DYNAMICAL PROPERTIES; FORCE FIELDS; INFINITE TIME; LOADING CAPACITIES; MIXED MODE; MOLECULAR DENSITY; SELF-DIFFUSION; SELF-DIFFUSION COEFFICIENTS;

EID: 72449121970     PISSN: 09295607     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10450-008-9148-3     Document Type: Article
Times cited : (15)

References (57)
  • 1
    • 0037144069 scopus 로고    scopus 로고
    • Single-file motion of polyatomic molecules in one-dimensional nanoporous materials
    • DOI 10.1080/00268970210133224
    • P. Adhangale D. Keffer 2002 Single-file motion of polyatomic molecules in one-dimensional nanoporous materials Mol. Phys. 100 2727 2733 10.1080/00268970210133224 1:CAS:528:DC%2BD38XmsFOks7s%3D (Pubitemid 35446059)
    • (2002) Molecular Physics , vol.100 , Issue.16 , pp. 2727-2733
    • Adhangale, P.1    Keffer, D.2
  • 4
    • 34547652558 scopus 로고    scopus 로고
    • Nanoporous carbon membranes for separation of nitrogen and oxygen: Insight from molecular simulations
    • DOI 10.1016/j.fluid.2007.04.013, PII S037838120700177X
    • G. Arora S.I. Sandler 2007 Nanoporous carbon membranes for separation of nitrogen and oxygen: insight from molecular simulations Fluid Phase Equilib. 259 3 8 10.1016/j.fluid.2007.04.013 1:CAS:528:DC%2BD2sXovFSlsrY%3D (Pubitemid 47212626)
    • (2007) Fluid Phase Equilibria , vol.259 , Issue.SPEC. ISS. 1 , pp. 3-8
    • Arora, G.1    Sandler, S.I.2
  • 5
    • 23744474329 scopus 로고    scopus 로고
    • Comparisons of diffusive and viscous contributions to transport coefficients of light gases in single-walled carbon nanotubes
    • DOI 10.1080/00268970500108403
    • S.K. Bhatia H. Chen D.S. Sholl 2005 Comparisons of diffusive and viscous contributions to transport coefficients of light gases in single-walled carbon nanotubes Mol. Simul. 31 643 649 10.1080/00268970500108403 1:CAS:528: DC%2BD2MXps1Gru78%3D (Pubitemid 41119917)
    • (2005) Molecular Simulation , vol.31 , Issue.9 , pp. 643-649
    • Bhatia, S.K.1    Chen, H.2    Sholl, D.S.3
  • 6
    • 2342509652 scopus 로고    scopus 로고
    • Self-diffusion of methane in single-walled carbon nanotubes at sub- and supercritical conditions
    • 10.1021/la036375q 1:CAS:528:DC%2BD2cXis1Oqs7g%3D
    • D. Cao J. Wu 2004 Self-diffusion of methane in single-walled carbon nanotubes at sub- and supercritical conditions Langmuir 20 3759 3765 10.1021/la036375q 1:CAS:528:DC%2BD2cXis1Oqs7g%3D
    • (2004) Langmuir , vol.20 , pp. 3759-3765
    • Cao, D.1    Wu, J.2
  • 7
    • 3042594976 scopus 로고    scopus 로고
    • 2 mixtures in single-walled carbon nanotubes
    • DOI 10.1021/ja039462d
    • H. Chen D.S. Sholl 2004 Rapid diffusion of CH4/H2 mixtures in single-walled carbon nanotubes J. Am. Chem. Soc. 126 7778 7779 10.1021/ja039462d 1:CAS:528:DC%2BD2cXksFelsbc%3D (Pubitemid 38812759)
    • (2004) Journal of the American Chemical Society , vol.126 , Issue.25 , pp. 7778-7779
    • Chen, H.1    Sholl, D.S.2
  • 8
    • 29244450136 scopus 로고    scopus 로고
    • 2 separations using single walled carbon nanotubes as membranes
    • DOI 10.1016/j.memsci.2005.06.030, PII S0376738805004862
    • 2 separations using single salled carbon nanotubes as membranes J. Memb. Sci. 269 152 160 10.1016/j.memsci.2005.06.030 1:CAS:528:DC%2BD2MXhtlCnsLbO (Pubitemid 41827995)
    • (2006) Journal of Membrane Science , vol.269 , Issue.1-2 , pp. 152-160
    • Chen, H.1    Sholl, D.S.2
  • 9
    • 33644776044 scopus 로고    scopus 로고
    • Transport diffusion of gases is rapid in flexible carbon nanotubes
    • DOI 10.1021/jp056911i
    • H. Chen J.K. Johnson D.S. Sholl 2006 Transport diffusion of gases is rapid in flexible carbon nanotubes J. Phys. Chem. B 110 1971 1975 10.1021/jp056911i 1:CAS:528:DC%2BD28Xis12gtQ%3D%3D (Pubitemid 43342897)
    • (2006) Journal of Physical Chemistry B , vol.110 , Issue.5 , pp. 1971-1975
    • Chen, H.1    Johnson, J.K.2    Sholl, D.S.3
  • 10
    • 34547791290 scopus 로고    scopus 로고
    • Adsorption, structure and dynamics of fluids in ordered and disordered models of porous carbons
    • DOI 10.1080/00268970601012736, PII 769946824, Seventh Liblice Conference on the Statistical Mechanics of Liquids
    • B. Coasne S.K. Jain K.E. Gubbins 2006 Adsorption, structure and dynamics of fluids in ordered and disordered models of porous carbons Mol. Phys. 104 3491 3499 10.1080/00268970601012736 1:CAS:528:DC%2BD2sXhtFSqtLY%3D (Pubitemid 47226622)
    • (2006) Molecular Physics , vol.104 , Issue.22-24 , pp. 3491-3499
    • Coasne, B.1    Jain, S.K.2    Gubbins, K.E.3
  • 11
    • 39649089584 scopus 로고    scopus 로고
    • Designing carbon nanotube membranes for efficient water desalination
    • 10.1021/jp709845u
    • B. Corry 2009 Designing carbon nanotube membranes for efficient water desalination J. Phys. Chem. B 112 1427 1434 10.1021/jp709845u
    • (2009) J. Phys. Chem. B , vol.112 , pp. 1427-1434
    • Corry, B.1
  • 12
    • 59849110795 scopus 로고    scopus 로고
    • Behavior of ethylene/ethane binary mixtures within single-walled carbon nanotubes, 1: Adsorption and equilibrium properties
    • submitted
    • Cruz, F.J.A.L., Müller, E.A.: Behavior of ethylene/ethane binary mixtures within single-walled carbon nanotubes, 1: adsorption and equilibrium properties. Adsorption (2008, submitted)
    • (2008) Adsorption
    • Cruz, F.J.A.L.1    Müller, E.A.2
  • 13
    • 20544435423 scopus 로고    scopus 로고
    • Molecular simulation of loading-dependent diffusion in nanoporous materials using extended dynamically corrected transition state theory
    • DOI 10.1063/1.1924548, 224712
    • D. Dubbeldam E. Beerdsen T.J.H. Vlugt B. Smit 2005 Molecular simulation of loading-dependent diffusion in nanoporous materials using extended dynamically corrected transition state theory J. Chem. Phys. 122 224712 10.1063/1.1924548 1:STN:280:DC%2BD2MvhtFKjug%3D%3D (Pubitemid 40844911)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.22 , pp. 1-17
    • Dubbeldam, D.1    Beerdsen, E.2    Vlugt, T.J.H.3    Smit, B.4
  • 14
    • 0037059142 scopus 로고    scopus 로고
    • Molecular simulation of adsorption and transport diffusion of model fluids in carbon nanotubes
    • 10.1080/0026897021000028429
    • T. Düren F.J. Keil N.A. Seaton 2002 Molecular simulation of adsorption and transport diffusion of model fluids in carbon nanotubes Mol. Phys. 100 3741 3751 10.1080/0026897021000028429
    • (2002) Mol. Phys. , vol.100 , pp. 3741-3751
    • Düren, T.1    Keil, F.J.2    Seaton, N.A.3
  • 15
    • 0030576260 scopus 로고    scopus 로고
    • A Universal scaling law for atomic diffusion in condensed matter
    • 10.1038/381137a0 1:CAS:528:DyaK28XivVyksr4%3D
    • M. Dzugutov 1996 A Universal scaling law for atomic diffusion in condensed matter Nature 381 137 139 10.1038/381137a0 1:CAS:528: DyaK28XivVyksr4%3D
    • (1996) Nature , vol.381 , pp. 137-139
    • Dzugutov, M.1
  • 16
    • 41349101314 scopus 로고    scopus 로고
    • Anomalous slowing down in the metastable liquid of hard spheres
    • 10.1103/PhysRevE.65.032501 1:STN:280:DC%2BD383jslGjuw%3D%3D
    • M. Dzugutov 2002 Anomalous slowing down in the metastable liquid of hard spheres Phys. Rev. E 65 032501 10.1103/PhysRevE.65.032501 1:STN:280: DC%2BD383jslGjuw%3D%3D
    • (2002) Phys. Rev. e , vol.65 , pp. 032501
    • Dzugutov, M.1
  • 17
    • 25444435888 scopus 로고    scopus 로고
    • Self-diffusion and binary Maxwell-Stefan diffusion coefficients of quadrupolar real fluids from molecular simulation
    • 10.1007/s10765-005-8093-6
    • G.A. Fernández J. Vrabec H. Hasse 2005 Self-diffusion and binary Maxwell-Stefan diffusion coefficients of quadrupolar real fluids from molecular simulation Int. J. Therm. 26 1389 1407 10.1007/s10765-005-8093-6
    • (2005) Int. J. Therm. , vol.26 , pp. 1389-1407
    • Fernández, G.A.1    Vrabec, J.2    Hasse, H.3
  • 18
    • 0004215006 scopus 로고    scopus 로고
    • Phase separation in confined systems
    • 10.1088/0034-4885/62/12/201 1:CAS:528:DC%2BD3cXjvFalug%3D%3D
    • L.D. Gelb K.E. Gubbins R. Radhakrishnan M. Sliwinska-Bartkowiak 1999 Phase separation in confined systems Rep. Prog. Phys. 62 1573 1659 10.1088/0034-4885/62/12/201 1:CAS:528:DC%2BD3cXjvFalug%3D%3D
    • (1999) Rep. Prog. Phys. , vol.62 , pp. 1573-1659
    • Gelb, L.D.1    Gubbins, K.E.2    Radhakrishnan, R.3    Sliwinska-Bartkowiak, M.4
  • 20
    • 33748523467 scopus 로고    scopus 로고
    • Temperature and size effects on diffusion in carbon nanotubes
    • 10.1021/jp063424+ 1:CAS:528:DC%2BD28Xns1Kktrc%3D
    • S. Jakobtorweihen F.J. Keil B. Smit 2006 Temperature and size effects on diffusion in carbon nanotubes J. Phys. Chem. B 110 16332 16336 10.1021/jp063424+ 1:CAS:528:DC%2BD28Xns1Kktrc%3D
    • (2006) J. Phys. Chem. B , vol.110 , pp. 16332-16336
    • Jakobtorweihen, S.1    Keil, F.J.2    Smit, B.3
  • 21
    • 34547358050 scopus 로고    scopus 로고
    • Diffusion of chain molecules and mixtures in carbon nanotubes: The effect of host lattice flexibility and theory of diffusion in the Knudsen regime
    • DOI 10.1063/1.2753477
    • S. Jakobtorweihen C.P. Lowe F.J. Keil B. Smit 2007 Diffusion of chain molecules and mixtures in carbon nanotubes: the effect of host lattice flexibility and theory of diffusion in the Knudsen regime J. Chem. Phys. 127 24904 10.1063/1.2753477 1:STN:280:DC%2BD2svit1Gkug%3D%3D (Pubitemid 47130432)
    • (2007) Journal of Chemical Physics , vol.127 , Issue.2 , pp. 024904
    • Jakobtorweihen, S.1    Lowe, C.P.2    Keil, F.J.3    Smit, B.4
  • 22
    • 0029912748 scopus 로고    scopus 로고
    • Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
    • DOI 10.1021/ja9621760, PII S0002786396021762
    • W.L. Jorgensen D.S. Maxwell J. Tirado-Rives 1996 Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids J. Am. Chem. Soc. 118 11225 11236 10.1021/ja9621760 1:CAS:528:DyaK28XmtlOitrs%3D (Pubitemid 26399746)
    • (1996) Journal of the American Chemical Society , vol.118 , Issue.45 , pp. 11225-11236
    • Jorgensen, W.L.1    Maxwell, D.S.2    Tirado-Rives, J.3
  • 23
    • 0028736652 scopus 로고
    • Nitrogen adsorption in slit pores at ambient temperatures: Comparison of simulation and experiment
    • 10.1021/la00024a036
    • K. Kaneko R.F. Cracknell D. Nicholson 1994 Nitrogen adsorption in slit pores at ambient temperatures: comparison of simulation and experiment Langmuir 10 4506 4609 10.1021/la00024a036
    • (1994) Langmuir , vol.10 , pp. 4506-4609
    • Kaneko, K.1    Cracknell, R.F.2    Nicholson, D.3
  • 24
    • 0032761485 scopus 로고    scopus 로고
    • Computer simulations of dependence of adsorption characteristics of ethane on the size of graphite micropores
    • 10.1021/la9801817 1:CAS:528:DyaK1cXotFChtb0%3D
    • A.V. Klochko E.N. Brodskaya E.M. Piotrovskaya 1999 Computer simulations of dependence of adsorption characteristics of ethane on the size of graphite micropores Langmuir 15 545 552 10.1021/la9801817 1:CAS:528:DyaK1cXotFChtb0%3D
    • (1999) Langmuir , vol.15 , pp. 545-552
    • Klochko, A.V.1    Brodskaya, E.N.2    Piotrovskaya, E.M.3
  • 25
    • 33645508739 scopus 로고    scopus 로고
    • Describing binary mixture diffusion in carbon nanotubes with the Maxwell-Stefan equations. An investigation using molecular dynamics simulations
    • 1:CAS:528:DC%2BD28XhtlSrs7Y%3D
    • R. Krishna J.M. van Baten 2006 Describing binary mixture diffusion in carbon nanotubes with the Maxwell-Stefan equations. An investigation using molecular dynamics simulations Fluid Phase Equilib. 45 2084 2093 1:CAS:528:DC%2BD28XhtlSrs7Y%3D
    • (2006) Fluid Phase Equilib. , vol.45 , pp. 2084-2093
    • Krishna, R.1    Van Baten, J.M.2
  • 26
    • 1542428860 scopus 로고    scopus 로고
    • Self-diffusion of n-alkanes in silicalite using molecular dynamics simulation: A comparison between rigid and flexible frameworks
    • 10.1039/b310273d 1:CAS:528:DC%2BD2cXhtVygurg%3D
    • F. Leroy B. Rousseau A.H. Fuchs 2004 Self-diffusion of n-alkanes in silicalite using molecular dynamics simulation: a comparison between rigid and flexible frameworks Phys. Chem. Chem. Phys. 6 775 783 10.1039/b310273d 1:CAS:528:DC%2BD2cXhtVygurg%3D
    • (2004) Phys. Chem. Chem. Phys. , vol.6 , pp. 775-783
    • Leroy, F.1    Rousseau, B.2    Fuchs, A.H.3
  • 27
    • 41549124536 scopus 로고    scopus 로고
    • Diffusion dynamics of water controlled by topology of potential energy surface inside carbon nanotubes
    • 10.1103/PhysRevB.77.125438
    • Y.-C. Liu J.-W. Shen K.E. Gubbins J.D. Moore T. Wu Q. Wang 2008 Diffusion dynamics of water controlled by topology of potential energy surface inside carbon nanotubes Phys. Rev. B 77 125438 10.1103/PhysRevB.77.125438
    • (2008) Phys. Rev. B , vol.77 , pp. 125438
    • Liu, Y.-C.1    Shen, J.-W.2    Gubbins, K.E.3    Moore, J.D.4    Wu, T.5    Wang, Q.6
  • 28
    • 27744446445 scopus 로고    scopus 로고
    • Nanoscale hydrodynamics: Enhanced flow in carbon nanotubes
    • 10.1038/43844a
    • M. Majumder N. Chopra R. Andrews B.J. Hinds 2006 Nanoscale hydrodynamics: enhanced flow in carbon nanotubes Nature 438 44 10.1038/43844a
    • (2006) Nature , vol.438 , pp. 44
    • Majumder, M.1    Chopra, N.2    Andrews, R.3    Hinds, B.J.4
  • 29
    • 0034682257 scopus 로고    scopus 로고
    • A Computational study of molecular diffusion and dynamic flow through carbon nanotubes
    • 10.1021/jp9944280 1:CAS:528:DC%2BD3cXis1yjs7g%3D
    • Z. Mao S.B. Sinnott 2000 A Computational study of molecular diffusion and dynamic flow through carbon nanotubes J. Phys. Chem. B 104 4618 10.1021/jp9944280 1:CAS:528:DC%2BD3cXis1yjs7g%3D
    • (2000) J. Phys. Chem. B , vol.104 , pp. 4618
    • Mao, Z.1    Sinnott, S.B.2
  • 30
    • 0035954945 scopus 로고    scopus 로고
    • Separation of organic molecular mixtures in carbon nanotubes and bundles: Molecular dynamics simulations
    • DOI 10.1021/jp0103272
    • Z. Mao S.B. Sinnott 2001 Separation of organic molecular mixtures in carbon nanotubes and bundles: molecular dynamics simulations J. Phys. Chem. B 105 6916 6924 10.1021/jp0103272 1:CAS:528:DC%2BD3MXksFOmuro%3D (Pubitemid 35338982)
    • (2001) Journal of Physical Chemistry B , vol.105 , Issue.29 , pp. 6916-6924
    • Mao, Z.1    Sinnott, S.B.2
  • 31
    • 0037203402 scopus 로고    scopus 로고
    • Predictions of a spiral diffusion path for nonspherical organic molecules in carbon nanotubes
    • 10.1103/PhysRevLett.89.278301
    • Z. Mao S.B. Sinnott 2002 Predictions of a spiral diffusion path for nonspherical organic molecules in carbon nanotubes Phys. Rev. Lett. 89 278301 10.1103/PhysRevLett.89.278301
    • (2002) Phys. Rev. Lett. , vol.89 , pp. 278301
    • Mao, Z.1    Sinnott, S.B.2
  • 32
    • 0001127721 scopus 로고    scopus 로고
    • Free energies of solvation in chloroform and water from a linear response approach
    • 10.1002/(SICI)1099-1395(199707)10:7<563::AID-POC912>3.0.CO;2-0 1:CAS:528:DyaK2sXmt1Wku7w%3D
    • N.A. McDonald H.A. Carlson W.L. Jorgensen 1997 Free energies of solvation in chloroform and water from a linear response approach J. Phys. Org. Chem. 10 563 576 10.1002/(SICI)1099-1395(199707)10:7<563::AID-POC912>3.0.CO;2-0 1:CAS:528:DyaK2sXmt1Wku7w%3D
    • (1997) J. Phys. Org. Chem. , vol.10 , pp. 563-576
    • McDonald, N.A.1    Carlson, H.A.2    Jorgensen, W.L.3
  • 34
    • 34548593508 scopus 로고    scopus 로고
    • Relationships between self-diffusivity, packing fraction, and excess entropy in simple bulk and confined fluids
    • DOI 10.1021/jp071369e
    • J. Mittal J.R. Errington T.M. Truskett 2007 Relationships between self-diffusivity, packing fraction, and excess entropy in simple bulk and confined fluids J. Phys. Chem. B 111 10054 10063 10.1021/jp071369e 1:CAS:528:DC%2BD2sXns1Cnu7c%3D (Pubitemid 47388007)
    • (2007) Journal of Physical Chemistry B , vol.111 , Issue.34 , pp. 10054-10063
    • Mittal, J.1    Errington, J.R.2    Truskett, T.M.3
  • 35
    • 0036678161 scopus 로고    scopus 로고
    • Self-diffusion on fluids in narrow cylindrical pores
    • DOI 10.1063/1.1490337
    • K.K. Mon J.K. Percus 2002 Self-diffusion of fluids in narrow cylindrical pores J. Chem. Phys. 117 2289 2292 10.1063/1.1490337 1:CAS:528: DC%2BD38XlsVentb4%3D (Pubitemid 34916801)
    • (2002) Journal of Chemical Physics , vol.117 , Issue.5 , pp. 2289-2292
    • Mon, K.K.1    Percus, J.K.2
  • 36
    • 49349090914 scopus 로고    scopus 로고
    • Staggered alignment of quadrupolar molecules inside carbon nanotubes
    • 10.1021/jp802593w
    • E.A. Müller 2008 Staggered alignment of quadrupolar molecules inside carbon nanotubes J. Phys. Chem. B 112 8999 9005 10.1021/jp802593w
    • (2008) J. Phys. Chem. B , vol.112 , pp. 8999-9005
    • Müller, E.A.1
  • 37
    • 34047100404 scopus 로고    scopus 로고
    • Strong correlations and Fickian water diffusion in narrow carbon nanotubes
    • DOI 10.1063/1.2565806
    • B. Mukherjee P.K. Maiti C. Dasgupta A.K. Sood 2007 Strong correlations and Fickian water diffusion in narrow carbon nanotubes J. Chem. Phys. 126 124704 124711 10.1063/1.2565806 (Pubitemid 46517160)
    • (2007) Journal of Chemical Physics , vol.126 , Issue.12 , pp. 124704
    • Mukherjee, B.1    Maiti, P.K.2    Dasgupta, C.3    Sood, A.K.4
  • 38
    • 34547809547 scopus 로고
    • A unified formulation of the constant temperature molecular dynamics methods
    • 10.1063/1.447334
    • S. Nosé 1984 A unified formulation of the constant temperature molecular dynamics methods J. Chem. Phys. 81 511 519 10.1063/1.447334
    • (1984) J. Chem. Phys. , vol.81 , pp. 511-519
    • Nosé, S.1
  • 39
    • 0037173858 scopus 로고    scopus 로고
    • 2 adsorption
    • DOI 10.1021/jp014604g
    • 2 adsorption J. Phys. Chem. B 106 7171 7176 10.1021/jp014604g 1:CAS:528:DC%2BD38XksVeit7s%3D (Pubitemid 35390087)
    • (2002) Journal of Physical Chemistry B , vol.106 , Issue.29 , pp. 7171-7176
    • Ohba, T.1    Kaneko, K.2
  • 40
    • 0000910439 scopus 로고
    • Relation between the transport coefficients and the internal entropy of simple systems
    • 10.1103/PhysRevA.15.2545
    • Y. Rosenfeld 1977 Relation between the transport coefficients and the internal entropy of simple systems Phys. Rev. A 15 2545 2549 10.1103/PhysRevA.15.2545
    • (1977) Phys. Rev. A , vol.15 , pp. 2545-2549
    • Rosenfeld, Y.1
  • 41
    • 0001405921 scopus 로고    scopus 로고
    • A quasi-universal scaling law for atomic transport in simple fluids
    • 10.1088/0953-8984/11/28/303 1:CAS:528:DyaK1MXltVCjtr8%3D
    • Y. Rosenfeld 1999 A quasi-universal scaling law for atomic transport in simple fluids J. Phys.: Condens. Matter 11 5415 5427 10.1088/0953-8984/11/28/303 1:CAS:528:DyaK1MXltVCjtr8%3D
    • (1999) J. Phys.: Condens. Matter , vol.11 , pp. 5415-5427
    • Rosenfeld, Y.1
  • 44
    • 33646753805 scopus 로고    scopus 로고
    • Making high-flux membranes with carbon nanotubes
    • DOI 10.1126/science.1127261
    • D.S. Sholl J.K. Johnson 2006 Making high-flux membranes with carbon nanotubes Science 312 1003 1004 10.1126/science.1127261 1:CAS:528: DC%2BD28XkvV2isbo%3D (Pubitemid 43752896)
    • (2006) Science , vol.312 , Issue.5776 , pp. 1003-1004
    • Sholl, D.S.1    Johnson, J.K.2
  • 45
    • 32044469411 scopus 로고    scopus 로고
    • Adsorption and diffusion of carbon dioxide and nitrogen through single-walled carbon nanotube membranes
    • DOI 10.1063/1.2151173, 054708
    • A.I. Skoulidas D.S. Sholl J.K. Johnson 2006 Adsorption and diffusion of carbon dioxide and nitrogen through single-walled carbon nanotube membranes J. Chem. Phys. 124 54701 54707 10.1063/1.2151173 (Pubitemid 43202716)
    • (2006) Journal of Chemical Physics , vol.124 , Issue.5 , pp. 1-7
    • Skoulidas, A.I.1    Sholl, D.S.2    Johnson, J.K.3
  • 46
    • 34548379443 scopus 로고    scopus 로고
    • A short description of DL-POLY
    • DOI 10.1080/08927020600939830, PII 771050711
    • W. Smith I.T. Todorov 2006 A short description of DL-POLY Mol. Simul. 32 935 943 10.1080/08927020600939830 1:CAS:528:DC%2BD28XhtlCms7%2FJ (Pubitemid 47355420)
    • (2006) Molecular Simulation , vol.32 , Issue.12-13 , pp. 935-943
    • Smith, W.1    Todorov, I.T.2
  • 47
    • 36049024999 scopus 로고
    • The physical interactions of gases with crystalline solids
    • 10.1016/0039-6028(73)90264-1 1:CAS:528:DyaE3sXhtVagtrk%3D
    • W.A. Steele 1973 The physical interactions of gases with crystalline solids Surf. Sci. 36 317 352 10.1016/0039-6028(73)90264-1 1:CAS:528: DyaE3sXhtVagtrk%3D
    • (1973) Surf. Sci. , vol.36 , pp. 317-352
    • Steele, W.A.1
  • 49
    • 12044258669 scopus 로고
    • Molecular interactions for physical adsorption
    • 10.1021/cr00023a002 1:CAS:528:DyaK3sXmtlCluro%3D
    • W.A. Steele 1993 Molecular interactions for physical adsorption Chem. Rev. 93 2355 2378 10.1021/cr00023a002 1:CAS:528:DyaK3sXmtlCluro%3D
    • (1993) Chem. Rev. , vol.93 , pp. 2355-2378
    • Steele, W.A.1
  • 50
    • 33646406023 scopus 로고    scopus 로고
    • The mechanism of water diffusion in narrow carbon nanotubes
    • 10.1021/nl052254u 1:CAS:528:DC%2BD28XhvVylsbY%3D
    • A. Striolo 2006 The mechanism of water diffusion in narrow carbon nanotubes Nano Lett. 6 633 639 10.1021/nl052254u 1:CAS:528:DC%2BD28XhvVylsbY%3D
    • (2006) Nano Lett. , vol.6 , pp. 633-639
    • Striolo, A.1
  • 51
    • 35748959930 scopus 로고    scopus 로고
    • Water self-diffusion through narrow oxygenated carbon nanotubes
    • DOI 10.1088/0957-4484/18/47/475704, PII S0957448407583716
    • A. Striolo 2007 Water self-diffusion through narrow oxygenated carbon nanotubes Nanotechnology 18 475704 475713 10.1088/0957-4484/18/47/475704 (Pubitemid 350050170)
    • (2007) Nanotechnology , vol.18 , Issue.47 , pp. 475704
    • Striolo, A.1
  • 52
    • 23844432687 scopus 로고    scopus 로고
    • Thermodynamic and transport properties of Polyhedral Oligomeric Sislesquioxanes in poly(dimethylsiloxane)
    • DOI 10.1021/jp045388p
    • A. Striolo C. McCabe P.T. Cummings 2005 Thermodynamic and transport properties of polyhedral oligomeric sislesquioxanes in poly(dimethylsiloxane) J. Phys. Chem. B 109 14300 10.1021/jp045388p 1:CAS:528:DC%2BD2MXlvVKku78%3D (Pubitemid 41156792)
    • (2005) Journal of Physical Chemistry B , vol.109 , Issue.30 , pp. 14300-14307
    • Striolo, A.1    McCabe, C.2    Cummings, P.T.3
  • 53
    • 33750476347 scopus 로고    scopus 로고
    • Exploration of molecular dynamics during transient sorption of fluids in mesoporous materials
    • DOI 10.1038/nature05183, PII NATURE05183
    • R. Valiullin S. Naumov P. Galvosas J. Karger H.-J. Woo F. Porcheron P.A. Monson 2006 Exploration of molecular dynamics during transient sorption of fluids in mesoporous materials Nature 443 965 968 10.1038/nature05183 1:CAS:528:DC%2BD28XhtFaksrvM (Pubitemid 44646169)
    • (2006) Nature , vol.443 , Issue.7114 , pp. 965-968
    • Valiullin, R.1    Naumov, S.2    Galvosas, P.3    Karger, J.4    Woo, H.-J.5    Porcheron, F.6    Monson, P.A.7
  • 54
    • 2142813682 scopus 로고
    • Computer simulation of molecular dynamics: Methodology, applications, and perspectives in chemistry
    • 10.1002/anie.199009921
    • W.F. van Gunsteren H.J.C. Berendsen 1990 Computer simulation of molecular dynamics: methodology, applications, and perspectives in chemistry Angew. Chem. Int. Ed. Engl. 29 992 1023 10.1002/anie.199009921
    • (1990) Angew. Chem. Int. Ed. Engl. , vol.29 , pp. 992-1023
    • Van Gunsteren, W.F.1    Berendsen, H.J.C.2
  • 55
    • 22944467757 scopus 로고
    • Computer "experiments" on classical fluids. Thermodynamical properties of Lennard-Jones molecules
    • 10.1103/PhysRev.159.98 1:CAS:528:DyaF2sXks1Orsrc%3D
    • L. Verlet 1967 Computer "experiments" on classical fluids. Thermodynamical properties of Lennard-Jones molecules Phys. Rev. 159 98 103 10.1103/PhysRev.159.98 1:CAS:528:DyaF2sXks1Orsrc%3D
    • (1967) Phys. Rev. , vol.159 , pp. 98-103
    • Verlet, L.1
  • 56
    • 0014995389 scopus 로고
    • Thermodynamics and structural properties of liquid ionic salts obtained by Monte Carlo computation
    • 10.1039/tf9716700012 1:CAS:528:DyaE3MXlsl2nsg%3D%3D
    • L.V. Woodcock K. Singer 1971 Thermodynamics and structural properties of liquid ionic salts obtained by Monte Carlo computation Trans. Faraday Soc. 67 12 30 10.1039/tf9716700012 1:CAS:528:DyaE3MXlsl2nsg%3D%3D
    • (1971) Trans. Faraday Soc. , vol.67 , pp. 12-30
    • Woodcock, L.V.1    Singer, K.2
  • 57
    • 37149020663 scopus 로고    scopus 로고
    • In-depth study of the influence of host-framework flexibility on the diffusion of small gas molecules in one-dimensional zeolitic pore systems
    • DOI 10.1021/jp0746446
    • N.E.R. Zimmermann S. Jakobtorweihen E. Beerdsen B. Smit F.J. Keil 2007 In-depth study of the influence of host-framework flexibility on the diffusion of small gas molecules in one-dimensional zeolitic pore systems J. Phys. Chem. C 111 17370 17381 10.1021/jp0746446 1:CAS:528:DC%2BD2sXht1WltLfI (Pubitemid 350254072)
    • (2007) Journal of Physical Chemistry C , vol.111 , Issue.46 , pp. 17370-17381
    • Zimmermann, N.E.R.1    Jakobtorweihen, S.2    Beerdsen, E.3    Smit, B.4    Keil, F.J.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.