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Volumn 15, Issue 1, 2009, Pages 1-12

Behavior of ethylene and ethane within single-walled carbon nanotubes. 1-Adsorption and equilibrium properties

Author keywords

Adsorption; Carbon nanotubes; Ethane; Ethylene; Grand canonical Monte Carlo; Molecular dynamics; Molecular simulation

Indexed keywords

ADSORPTION PROPERTIES; CARBON SLIT PORES; CARBON SURFACE; ENDOHEDRALS; EQUILIBRIUM PROPERTIES; ETHANE ADSORPTION; FORCE FIELDS; GRAND CANONICAL MONTE CARLO; HENRY'S CONSTANTS; HIGH LOADINGS; INTERMOLECULAR POTENTIALS; ISOSTERIC HEATS; LOW PRESSURES; LOWER PRESSURES; MOLECULAR DYNAMICS TECHNIQUES; MOLECULAR SIMULATION; MOLECULAR SIMULATIONS; MOLECULAR VOLUME; NANOTUBE GEOMETRY; PACKING EFFECTS; PRESSURE RANGES; PURE FLUIDS; QUALITATIVE FEATURES; ROOM TEMPERATURE; UNITED ATOMS;

EID: 60849103810     PISSN: 09295607     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10450-009-9154-0     Document Type: Article
Times cited : (23)

References (80)
  • 1
    • 0347666606 scopus 로고    scopus 로고
    • Diffusivities of Ar and Ne in carbon nanotubes
    • DOI 10.1080/0892702031000103239, PII NUE2W0W3F0XMU8Y6
    • D.M. Ackerman A.I. Skoulidas D.S. Sholl J.K. Johnson 2003 Diffusivities of Ar and Ne in carbon nanotubes Mol. Sim. 29 677 684 10.1080/ 0892702031000103239 1:CAS:528:DC%2BD3sXmsFaqs7o%3D (Pubitemid 44115088)
    • (2003) Molecular Simulation , vol.29 , Issue.10-11 , pp. 677-684
    • Ackerman, D.M.1    Skoulidas, A.I.2    Sholl, D.S.3    Johnson, J.K.4
  • 2
    • 33646400272 scopus 로고    scopus 로고
    • Theoretical and experimental investigation of morphology and temperature effects on adsorption of organic vapors in single-walled carbon nanotubes
    • 10.1021/jp060040a 1:CAS:528:DC%2BD28XislOnsL8%3D
    • S. Agnihotri J.P.B. Mota M. Rostam-Abadi M.J. Rood 2006 Theoretical and experimental investigation of morphology and temperature effects on adsorption of organic vapors in single-walled carbon nanotubes J. Phys. Chem. B 110 7640 7647 10.1021/jp060040a 1:CAS:528:DC%2BD28XislOnsL8%3D
    • (2006) J. Phys. Chem. B , vol.110 , pp. 7640-7647
    • Agnihotri, S.1    Mota, J.P.B.2    Rostam-Abadi, M.3    Rood, M.J.4
  • 3
    • 31444449837 scopus 로고    scopus 로고
    • Binary and ternary adsorption of methane, ethane, and ethylene on titanosilicate ETS-10 zeolite
    • DOI 10.1021/je050364c
    • N.A. Al-Baghli K.F. Loughlin 2006 Binary and ternary adsorption of methane, ethane, and ethylene on titanosilicate ETS-10 zeolite J. Chem. Eng. Data 51 248 254 10.1021/je050364c 1:CAS:528:DC%2BD2MXht1ert7jI (Pubitemid 43151897)
    • (2006) Journal of Chemical and Engineering Data , vol.51 , Issue.1 , pp. 248-254
    • Al-Baghli, N.A.1    Loughlin, K.F.2
  • 7
    • 0342705993 scopus 로고
    • Cobalt-catalysed growth of carbon nanotubes with single-atomic-layer walls
    • 10.1038/363605a0 1:CAS:528:DyaK3sXltVOrs7s%3D
    • D.S. Bethune C.H. Kiang M.S.D. Vries G. Gorman R. Savoy J. Vasquez R. Beyers 1993 Cobalt-catalysed growth of carbon nanotubes with single-atomic-layer walls Nature 363 605 607 10.1038/363605a0 1:CAS:528:DyaK3sXltVOrs7s%3D
    • (1993) Nature , vol.363 , pp. 605-607
    • Bethune, D.S.1    Kiang, C.H.2    Vries, M.S.D.3    Gorman, G.4    Savoy, R.5    Vasquez, J.6    Beyers, R.7
  • 8
    • 2342643183 scopus 로고    scopus 로고
    • Further validation of a set of quadrupolar potential models for ethylene and propylene from the prediction of some binary mixture vapor-liquid equilibria by Gibbs-ensemble molecular simulation
    • DOI 10.1080/0892702031000103275, PII RQWFL9XHRLAXJBY7
    • J. Carrero-Mantilla M. Llano-Restrepo 2003 Further validation of a set of quadrupolar potential models for ethylene and propylene from the prediction of some binary mixture vapor-liquid equilibria by Gibbs-ensemble molecular simulation Mol. Sim. 29 549 554 10.1080/0892702031000103275 1:CAS:528: DC%2BD3sXmsFaqsLw%3D (Pubitemid 44115094)
    • (2003) Molecular Simulation , vol.29 , Issue.9 , pp. 549-554
    • Carrero-Mantilla, J.1    Llano-Restrepo, M.2
  • 9
    • 0033604674 scopus 로고    scopus 로고
    • Molecular simulation of the Joule-Thomson inversion curve of carbon dioxide
    • DOI 10.1016/S0378-3812(99)00264-2, PII S0378381299002642
    • A. Chacin J.M. Vazquez E.A. Müller 1999 Molecular simulation of the Joule-Thomson inversion curve of carbon monoxide F. Phase Eq. 165 147 155 10.1016/S0378-3812(99)00264-2 1:CAS:528:DyaK1MXnslCrsrc%3D (Pubitemid 30006336)
    • (1999) Fluid Phase Equilibria , vol.165 , Issue.2 , pp. 147-155
    • Chacin, A.1    Vazquez, J.M.2    Muller, E.A.3
  • 10
    • 0038360855 scopus 로고    scopus 로고
    • Adsorption equilibria of methane, ethane, ethylene, nitrogen, and hydrogen onto activated carbon
    • 10.1021/je020161d 1:CAS:528:DC%2BD3sXit1KqtL0%3D
    • B.U. Choi D.-K. Choi Y.-W. Lee B.-K. Lee S.-H. Kim 2003 Adsorption equilibria of methane, ethane, ethylene, nitrogen, and hydrogen onto activated carbon J. Chem. Eng. Data 48 603 607 10.1021/je020161d 1:CAS:528: DC%2BD3sXit1KqtL0%3D
    • (2003) J. Chem. Eng. Data , vol.48 , pp. 603-607
    • Choi, B.U.1    Choi, D.-K.2    Lee, Y.-W.3    Lee, B.-K.4    Kim, S.-H.5
  • 11
    • 0000183270 scopus 로고
    • Grand canonical Monte Carlo study of Lennard-Jones mixtures in slit pores. Part 3. Mixtures of two molecular fluids: Ethane and propane
    • R.F. Cracknell D. Nicholson 1994 Grand canonical Monte Carlo study of Lennard-Jones mixtures in slit pores. Part 3. Mixtures of two molecular fluids: ethane and propane J. Chem. Soc., Faraday Trans. 90 1497 1493
    • (1994) J. Chem. Soc., Faraday Trans. , vol.90 , pp. 1497-1493
    • Cracknell, R.F.1    Nicholson, D.2
  • 12
    • 33745506622 scopus 로고    scopus 로고
    • Modelling of ethane/ethylene separation using microporous carbon
    • DOI 10.1260/026361705777641972
    • S. Curbelo E.A. Müller 2005 Modelling of ethane/ethylene separation using microporous carbon Ads. Sci. Tech. 23 855 865 10.1260/026361705777641972 1:CAS:528:DC%2BD28XhtFegurfL (Pubitemid 43959968)
    • (2005) Adsorption Science and Technology , vol.23 , Issue.10 , pp. 855-865
    • Curbelo, S.1    Muller, E.A.2
  • 13
    • 0032910252 scopus 로고    scopus 로고
    • Adsorption equilibria and kinetics for propylene and propane over 13X and 4A zeolite pellets
    • 10.1021/ie980640z
    • F.A. Da Silva A.E. Rodrigues 1999 Adsorption equilibria and kinetics for propylene and propane over 13X and 4A zeolite pellets Ind. Eng. Chem. Res. 38 2051 2057 10.1021/ie980640z
    • (1999) Ind. Eng. Chem. Res. , vol.38 , pp. 2051-2057
    • Da Silva, F.A.1    Rodrigues, A.E.2
  • 14
    • 0036466482 scopus 로고    scopus 로고
    • Review of hydrogen storage by adsorption in carbon nanotubes
    • DOI 10.1016/S0360-3199(01)00103-3, PII S0360319901001033
    • F.L. Darkrim P. Malbrunot G.P. Tartaglia 2002 Review of hydrogen storage by adsorption in carbon nanotubes Int. J. Hyd. Energy 27 193 202 10.1016/S0360-3199(01)00103-3 1:CAS:528:DC%2BD3MXoslOhtbo%3D (Pubitemid 33106970)
    • (2002) International Journal of Hydrogen Energy , vol.27 , Issue.2 , pp. 193-202
    • Lamari Darkrim, F.1    Malbrunot, P.2    Tartaglia, G.P.3
  • 17
    • 10444257235 scopus 로고    scopus 로고
    • Effects of potential models on the adsorption of ethane and ethylene on graphitized thermal carbon black. Study of two-dimensional critical temperature and isosteric heat versus loading
    • 10.1021/la0486483
    • D.D. Do H.D. Do 2004 Effects of potential models on the adsorption of ethane and ethylene on graphitized thermal carbon black. Study of two-dimensional critical temperature and isosteric heat versus loading Langmuir 25 10889 10899 10.1021/la0486483
    • (2004) Langmuir , vol.25 , pp. 10889-10899
    • Do, D.D.1    Do, H.D.2
  • 18
    • 4344614438 scopus 로고    scopus 로고
    • Adsorption of ethylene on graphitized thermal carbon black and in slit pores: A computer simulation study
    • 10.1021/la0495682 1:CAS:528:DC%2BD2cXlslert7k%3D
    • D.D. Do H.D. Do 2004 Adsorption of ethylene on graphitized thermal carbon black and in slit pores: a computer simulation study Langmuir 20 7103 7116 10.1021/la0495682 1:CAS:528:DC%2BD2cXlslert7k%3D
    • (2004) Langmuir , vol.20 , pp. 7103-7116
    • Do, D.D.1    Do, H.D.2
  • 19
    • 23944512991 scopus 로고    scopus 로고
    • Cooperative and competitive adsorption of ethylene, ethane, nitrogen and argon on graphitized carbon black and in slit pores
    • DOI 10.1007/s10450-005-1091-y
    • D.D. Do H.D. Do 2005 Cooperative and competitive adsorption of ethylene, ethane, nitrogen and argon on graphitized carbon black and in slit pores Adsorption 11 35 50 10.1007/s10450-005-1091-y 1:CAS:528:DC%2BD2MXntVGlsLo%3D (Pubitemid 41202483)
    • (2005) Adsorption , vol.11 , Issue.1 , pp. 35-50
    • Do, D.D.1    Do, H.D.2
  • 20
    • 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
  • 22
    • 25444462256 scopus 로고    scopus 로고
    • Shear viscosity and thermal conductivity of quadrupolar real fluids from molecular simulation
    • DOI 10.1080/08927020500252599
    • G.A. Fernández J. Vrabec H. Hasse 2005 Shear viscosity and thermal conductivity of quadrupolar real fluids from molecular simulation Mol. Sim. 31 787 793 10.1080/08927020500252599 (Pubitemid 41365747)
    • (2005) Molecular Simulation , vol.31 , Issue.11 , pp. 787-793
    • Fernandez, G.A.1    Vrabec, J.2    Hasse, H.3
  • 23
    • 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
  • 25
    • 34250745826 scopus 로고    scopus 로고
    • Adsorption dynamics of alkanes on single-wall carbon nanotubes: A molecular beam scattering study
    • 1:CAS:528:DC%2BD2sXltFWrsb4%3D
    • S. Funk U. Burghaus B. White S. O'Brien N.J. Turro 2007 Adsorption dynamics of alkanes on single-wall carbon nanotubes: a molecular beam scattering study J. Phys. Chem. C 111 8043 8049 1:CAS:528:DC%2BD2sXltFWrsb4%3D
    • (2007) J. Phys. Chem. C , vol.111 , pp. 8043-8049
    • Funk, S.1    Burghaus, U.2    White, B.3    O'Brien, S.4    Turro, N.J.5
  • 26
    • 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
  • 28
    • 72449126206 scopus 로고    scopus 로고
    • Co-adsorption equilibrium of ethane and ethylene mixture onto various activated carbons
    • Italy
    • Guo, J., Bao, X.T., Gui, B., Xiang, S.X., Li, S.R., Huang, X.F., Heslop, M.J.: Co-adsorption equilibrium of ethane and ethylene mixture onto various activated carbons. Paper presented in FOA9 Naxos, Italy, 2007
    • (2007) FOA9 Naxos
    • Guo, J.1    Bao, X.T.2    Gui, B.3    Xiang, S.X.4    Li, S.R.5    Huang, X.F.6    Heslop, M.J.7
  • 29
    • 0037135019 scopus 로고    scopus 로고
    • Study of molecular shape and non-ideality effects on mixture adsorption isotherms of small molecules in carbon nanotubes: A grand canonical Monte Carlo simulation study
    • DOI 10.1016/S0009-2509(02)00131-8, PII S0009250902001318
    • A. Heyden T. Düren F.J. Keil 2002 Study of molecular shape and non-ideality effects on mixture adsorption isotherms of small molecules in carbon nanotubes: a grand canonical Monte Carlo simulation study Chem. Eng. Sci. 57 2439 2448 10.1016/S0009-2509(02)00131-8 1:CAS:528:DC%2BD38XkvFCiu78%3D (Pubitemid 34866045)
    • (2002) Chemical Engineering Science , vol.57 , Issue.13 , pp. 2439-2448
    • Heyden, A.1    Duren, T.2    Keil, F.J.3
  • 32
    • 0342819025 scopus 로고
    • Helical microtubules of graphitic carbon
    • 10.1038/354056a0 1:CAS:528:DyaK38Xmt1Ojtg%3D%3D
    • S. Iijima 1991 Helical microtubules of graphitic carbon Nature 354 56 58 10.1038/354056a0 1:CAS:528:DyaK38Xmt1Ojtg%3D%3D
    • (1991) Nature , vol.354 , pp. 56-58
    • Iijima, S.1
  • 33
    • 0038033665 scopus 로고
    • Single-shell carbon nanotubes of 1-nm diameter
    • 10.1038/363603a0 1:CAS:528:DyaK3sXltVOrs7o%3D
    • S. Iijima T. Ichihashi 1993 Single-shell carbon nanotubes of 1-nm diameter Nature 363 603 605 10.1038/363603a0 1:CAS:528:DyaK3sXltVOrs7o%3D
    • (1993) Nature , vol.363 , pp. 603-605
    • Iijima, S.1    Ichihashi, T.2
  • 34
    • 84939775172 scopus 로고
    • Reporting physisorption data for gas/solid isotherms
    • IUPAC. 10.1351/pac198557040603
    • IUPAC 1985 Reporting physisorption data for gas/solid isotherms Pure Appl. Chem. 57 603 619 10.1351/pac198557040603
    • (1985) Pure Appl. Chem. , vol.57 , pp. 603-619
  • 35
    • 33748582261 scopus 로고    scopus 로고
    • Capillary phase transitions of linear and branched alkanes in carbon nanotubes from molecular simulation
    • DOI 10.1021/la0608720
    • J. Jiang S.I. Sandler 2006 Capillary phase transitions of linear and branched alkanes in carbon nanotubes from molecular simulation Langmuir 22 7391 7399 10.1021/la0608720 1:CAS:528:DC%2BD28XmslGrsLg%3D (Pubitemid 44366443)
    • (2006) Langmuir , vol.22 , Issue.17 , pp. 7391-7399
    • Jiang, J.1    Sandler, S.I.2
  • 36
    • 8344267563 scopus 로고    scopus 로고
    • A Monte Carlo simulation study of the effect of carbon topology on nitrogen adsorption on graphite, a nanotube bundle, C60 fullerite, C168 schwarzite, and a nanoporous carbon
    • 10.1039/b409116g 1:CAS:528:DC%2BD2cXntFOktr8%3D
    • J. Jiang N.J. Wagner S.I. Sandler 2004 A Monte Carlo simulation study of the effect of carbon topology on nitrogen adsorption on graphite, a nanotube bundle, C60 fullerite, C168 schwarzite, and a nanoporous carbon Phys. Chem. Chem. Phys. 6 4440 4444 10.1039/b409116g 1:CAS:528:DC%2BD2cXntFOktr8%3D
    • (2004) Phys. Chem. Chem. Phys. , vol.6 , pp. 4440-4444
    • Jiang, J.1    Wagner, N.J.2    Sandler, S.I.3
  • 37
    • 33749233586 scopus 로고    scopus 로고
    • Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation
    • DOI 10.1103/PhysRevB.72.045447, 045447
    • J. Jiang S.I. Sandler M. Schenk B. Smit 2005 Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation Phys. Rev. B 72 45447 10.1103/PhysRevB.72.045447 (Pubitemid 41528771)
    • (2005) Physical Review B - Condensed Matter and Materials Physics , vol.72 , Issue.4 , pp. 1-11
    • Jiang, J.1    Sandler, S.I.2    Schenk, M.3    Smit, B.4
  • 38
    • 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
  • 39
    • 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
  • 40
    • 72449147371 scopus 로고    scopus 로고
    • Adsorption and diffusion of alkanes and alkenes in carbon nanotubes
    • Salt Lake City, USA
    • Keil, F.J., Jakobtorweihen, S.: Adsorption and diffusion of alkanes and alkenes in carbon nanotubes. Paper presented in AIChE Annual Meeting Salt Lake City, USA, 2007
    • (2007) AIChE Annual Meeting
    • Keil, F.J.1    Jakobtorweihen, S.2
  • 41
    • 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
  • 42
    • 28144447473 scopus 로고    scopus 로고
    • Observation of a one-dimensional adsorption site on carbon nanotubes: Adsorption of alkanes of different molecular lengths
    • 10.1021/jp0582078 1:CAS:528:DC%2BD2MXhtFWrsrvP
    • P. Kondratyuk Y. Wang J.K. Johnson J.T. Yates Jr. 2005 Observation of a one-dimensional adsorption site on carbon nanotubes: adsorption of alkanes of different molecular lengths J. Phys. Chem. B 109 20999 21005 10.1021/jp0582078 1:CAS:528:DC%2BD2MXhtFWrsrvP
    • (2005) J. Phys. Chem. B , vol.109 , pp. 20999-21005
    • Kondratyuk, P.1    Wang, Y.2    Johnson, J.K.3    Yates Jr., J.T.4
  • 44
    • 34547817694 scopus 로고    scopus 로고
    • A multi-step strategy for cutting and purification of single-walled carbon nanotubes
    • DOI 10.1016/j.carbon.2007.06.009, PII S0008622307002497
    • Y. Liu L. Gao J. Sun S. Zheng L. Jiang Y. Wang H. Kajiura Y. Li K. Noda 2007 A multi-step strategy for cutting and purification of single-walled carbon nanotubes Carbon 45 1972 1978 10.1016/j.carbon.2007.06.009 1:CAS:528: DC%2BD2sXovFeit7o%3D (Pubitemid 47238068)
    • (2007) Carbon , vol.45 , Issue.10 , pp. 1972-1978
    • Liu, Y.1    Gao, L.2    Sun, J.3    Zheng, S.4    Jiang, L.5    Wang, Y.6    Kajiura, H.7    Li, Y.8    Noda, K.9
  • 45
    • 36749084620 scopus 로고    scopus 로고
    • Temperature-driven pumping of fluid through single-walled carbon nanotubes
    • DOI 10.1021/nl071537e
    • M.J. Longhurst N. Quirke 2007 Temperature-driven pumping of fluid through single-walled carbon nanotubes Nano Lett. 7 3324 3328 10.1021/nl071537e 1:CAS:528:DC%2BD2sXhtFGnsL%2FK (Pubitemid 350216024)
    • (2007) Nano Letters , vol.7 , Issue.11 , pp. 3324-3328
    • Longhurst, M.J.1    Quirke, N.2
  • 46
    • 33745741108 scopus 로고    scopus 로고
    • Carbon nanotubes with small and tunable diameters from poly(ferrocenylsilane)-block-polysiloxane diblock copolymers
    • DOI 10.1021/la053308i
    • J.Q. Lu D.A. Rider E. Onyegam H. Wang M.A. Winnik I. Manners Q. Cheng Q. Fu J. Liu 2006 Carbon nanotubes with small and tunable diameters from poly(ferrocenylsilane)-block-polysiloxane diblock copolymers Langmuir 22 5174 5179 10.1021/la053308i 1:CAS:528:DC%2BD28XjvVWnsr8%3D (Pubitemid 44012087)
    • (2006) Langmuir , vol.22 , Issue.11 , pp. 5174-5179
    • Lu, J.Q.1    Rider, D.A.2    Onyegam, E.3    Wang, H.4    Winnik, M.A.5    Manners, I.6    Cheng, Q.7    Fu, Q.8    Liu, J.9
  • 47
    • 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
  • 48
    • 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
  • 50
    • 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
  • 52
    • 0004217488 scopus 로고    scopus 로고
    • NIST (2008). Chemistry Webbook. http://webbook.nist.gov
    • (2008) Chemistry Webbook
  • 53
    • 19844366933 scopus 로고    scopus 로고
    • Separations research needs for the 21st century
    • DOI 10.1021/ie0501475
    • R.D. Noble R. Agrawal 2005 Separations research needs for the 21st century Ind. Eng. Chem. Res. 44 2887 2892 10.1021/ie0501475 1:CAS:528: DC%2BD2MXit1Oit7o%3D (Pubitemid 40763415)
    • (2005) Industrial and Engineering Chemistry Research , vol.44 , Issue.9 , pp. 2887-2892
    • Noble, R.D.1    Agrawal, R.2
  • 54
    • 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
  • 55
    • 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
  • 59
    • 0001578578 scopus 로고    scopus 로고
    • Molecular simulation of hydrogen adsorption in charged single-walled carbon nanotubes
    • 10.1063/1.480313 1:CAS:528:DyaK1MXnsVaqsbg%3D
    • V.V. Simonyan P. Diep J.K. Johnson 1999 Molecular simulation of hydrogen adsorption in charged single-walled carbon nanotubes J. Chem. Phys. 111 9778 9783 10.1063/1.480313 1:CAS:528:DyaK1MXnsVaqsbg%3D
    • (1999) J. Chem. Phys. , vol.111 , pp. 9778-9783
    • Simonyan, V.V.1    Diep, P.2    Johnson, J.K.3
  • 60
    • 0035280888 scopus 로고    scopus 로고
    • Molecular simulation of xenon adsorption on single-walled carbon nanotubes
    • DOI 10.1063/1.1344234
    • V.V. Simonyan J.K. Johnson A. Kuznetsova J.T. Yates 2001 Molecular simulation of xenon adsorption on single-walled carbon nanotubes J. Chem. Phys. 114 4180 4185 10.1063/1.1344234 1:CAS:528:DC%2BD3MXhsVWgs78%3D (Pubitemid 32255042)
    • (2001) Journal of Chemical Physics , vol.114 , Issue.9 , pp. 4180-4185
    • Simonyan, V.V.1    Johnson, J.K.2    Kuznetsova, A.3    Yates Jr., J.T.4
  • 61
    • 0034749019 scopus 로고    scopus 로고
    • Carbon nanotubes: Synthesis, properties, and applications
    • 10.1080/20014091104189 1:CAS:528:DC%2BD3MXnsFCqur4%3D
    • S.B. Sinnott R. Andrews 2001 Carbon nanotubes: synthesis, properties, and applications Crit. Rev. Sol. State Mat. Sci. 26 145 249 10.1080/20014091104189 1:CAS:528:DC%2BD3MXnsFCqur4%3D
    • (2001) Crit. Rev. Sol. State Mat. Sci. , vol.26 , pp. 145-249
    • Sinnott, S.B.1    Andrews, R.2
  • 62
    • 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 54708(54701) 54708(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
  • 63
    • 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. Sim. 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
  • 65
    • 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
  • 67
    • 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
  • 68
    • 0041324673 scopus 로고    scopus 로고
    • Vapor-liquid equilibria of mixtures containing nitrogen, oxygen, carbon dioxide, and ethane
    • DOI 10.1002/aic.690490826
    • J. Stoll J. Vrabec H. Hasse 2003 Vapor-liquid equilibria of mixtures containing nitrogen, oxygen, carbon dioxide, and ethane AIChE J. 49 2187 2198 10.1002/aic.690490826 1:CAS:528:DC%2BD3sXmsFGqu7g%3D (Pubitemid 36999459)
    • (2003) AIChE Journal , vol.49 , Issue.8 , pp. 2187-2198
    • Stoll, J.1    Vrabec, J.2    Hasse, H.3
  • 69
    • 23744457494 scopus 로고    scopus 로고
    • Water in carbon nanotubes: Adsorption isotherms and thermodynamic properties from molecular simulation
    • DOI 10.1063/1.1924697, 234712
    • A. Striolo A.A. Chialvo K.E. Gubbins P.T. Cummings 2005 Water in carbon nanotubes: adsorption isotherms and thermodynamic properties from molecular simulation J. Chem. Phys. 122 234712(234711) 234712(234714) 10.1063/1.1924697 (Pubitemid 41134492)
    • (2005) Journal of Chemical Physics , vol.122 , Issue.23 , pp. 1-14
    • Striolo, A.1    Chialvo, A.A.2    Gubbins, K.E.3    Cummings, P.T.4
  • 70
    • 33748763285 scopus 로고    scopus 로고
    • Analysis of gas adsorption in Kureha active carbon based on the slit-pore model and Monte-Carlo simulations
    • DOI 10.1080/08927020600717095, PII U742329156331X32
    • M.B. Sweatman N. Quirke W. Zhu F. Kapteijn 2006 Analysis of gas adsorption in kureha active carbon based on the slit-pore model and Monte-Carlo simulations Mol. Sim. 32 513 522 10.1080/08927020600717095 1:CAS:528: DC%2BD28XpsVOkur0%3D (Pubitemid 44410478)
    • (2006) Molecular Simulation , vol.32 , Issue.7 , pp. 513-522
    • Sweatman, M.B.1    Quirke, N.2    Zhu, W.3    Kapteijn, F.4
  • 71
    • 34547269885 scopus 로고    scopus 로고
    • Structural relationship between degree of unsaturation with polarizability of (5,5) armchair single-wall carbon nanotubes
    • DOI 10.1080/15363830701423674, PII 780433211
    • A. Taherpour 2007 Structural relationship between degree of unsaturation with polarizability of (5,5) armchair single-wall carbon nanotubes Nanotubes Carbon Nanostruct. 15 279 289 10.1080/15363830701423674 1:CAS:528: DC%2BD2sXntlaisb8%3D (Pubitemid 47151219)
    • (2007) Fullerenes Nanotubes and Carbon Nanostructures , vol.15 , Issue.4 , pp. 279-289
    • Taherpour, A.1
  • 72
    • 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
  • 73
    • 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
  • 74
    • 0026626824 scopus 로고
    • The electrostatic field at a graphite surface and its effect on molecule-solid interactions
    • 10.1021/la00037a029 1:CAS:528:DyaK38Xks1yjuw%3D%3D
    • A. Vernov W.A. Steele 1992 The electrostatic field at a graphite surface and its effect on molecule-solid interactions Langmuir 8 155 159 10.1021/la00037a029 1:CAS:528:DyaK38Xks1yjuw%3D%3D
    • (1992) Langmuir , vol.8 , pp. 155-159
    • Vernov, A.1    Steele, W.A.2
  • 75
    • 0035818699 scopus 로고    scopus 로고
    • A set of molecular models for symmetric quadrupolar fluids
    • DOI 10.1021/jp012542o
    • J. Vrabec J. Stoll H. Hasse 2001 A set of molecular models for symmetric quadrupolar fluids J. Phys. Chem. B 105 12126 12133 10.1021/jp012542o 1:CAS:528:DC%2BD3MXnvFGnurc%3D (Pubitemid 35338370)
    • (2001) Journal of Physical Chemistry B , vol.105 , Issue.48 , pp. 12126-12133
    • Vrabec, J.1    Stoll, J.2    Hasse, H.3
  • 76
    • 17844390127 scopus 로고    scopus 로고
    • Prediction of Joule-Thomson inversion curves for pure fluids and one mixture by molecular simulation
    • DOI 10.1016/j.cryogenics.2004.10.006, PII S0011227504002267
    • J. Vrabec G.K. Kedia H. Hasse 2005 Prediction of Joule-Thomson inversion curves for pure fluids and one mixture by molecular simulation Cryogenics 45 253 258 10.1016/j.cryogenics.2004.10.006 1:CAS:528:DC%2BD2MXitlCjsrk%3D (Pubitemid 40583923)
    • (2005) Cryogenics , vol.45 , Issue.4 , pp. 253-258
    • Vrabec, J.1    Kedia, G.K.2    Hasse, H.3
  • 77
    • 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. Farad. Soc. 67 12 30 10.1039/tf9716700012 1:CAS:528:DyaE3MXlsl2nsg%3D%3D
    • (1971) Trans. Farad. Soc. , vol.67 , pp. 12-30
    • Woodcock, L.V.1    Singer, K.2
  • 79
    • 33645519089 scopus 로고    scopus 로고
    • Utilizing polymers for shaping the interfacial behavior of carbon nanotubes
    • 10.1039/b513344k 1:CAS:528:DC%2BD28Xjt1Kitrk%3D
    • R. Yerushalmi-Rozen I. Szleifer 2006 Utilizing polymers for shaping the interfacial behavior of carbon nanotubes Soft. Matter. 2 24 28 10.1039/b513344k 1:CAS:528:DC%2BD28Xjt1Kitrk%3D
    • (2006) Soft. Matter. , vol.2 , pp. 24-28
    • Yerushalmi-Rozen, R.1    Szleifer, I.2
  • 80
    • 11844257610 scopus 로고    scopus 로고
    • An effective potential for adsorption of polar molecules on graphite
    • DOI 10.1080/0892702042000272889
    • X. Zhao J.K. Johnson 2005 An effective potential for adsorption of polar molecules on graphite Mol. Sim. 31 1 10 10.1080/0892702042000272889 (Pubitemid 40086809)
    • (2005) Molecular Simulation , vol.31 , Issue.1 , pp. 1-10
    • Zhao, X.1    Johnson, J.K.2


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