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Original Articles

Adsorption of alkanes, alkenes and their mixtures in single-walled carbon nanotubes and bundles

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Pages 90-99 | Received 24 Apr 2008, Accepted 30 Jul 2008, Published online: 21 Sep 2010

References

  • Iijima , S. 1991 . Helical microtubules of graphitic carbon . Nature , 354 : 56 – 58 .
  • Burde , J.T. and Calbi , M.M. 2007 . Physisorption kinetics in carbon nanotube bundles . J. Phys. Chem. C , 111 : 5057 – 5063 .
  • Cao , D. , Zhang , X. , Chen , J. , Wang , W. and Yun , J. 2003 . Optimization of single-walled carbon nanotube arrays for methane storage at room temperature . J. Phys. Chem. B , 107 : 13286 – 13292 .
  • Jiang , J. , Sandler , S.I. , Schenk , M. and Smit , B. 2005 . Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation . Phys. Rev. B , 72 : 045447
  • Kondratyuk , P. , Wang , Y. , Johnson , J.K. and Yates , J.T. 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 .
  • Jiang , J. , Sandler , S.I. and Smit , B. 2004 . Capillary phase transitions of n-alkanes in a carbon nanotube . Nano Lett. , 4 : 241 – 244 .
  • Darkim , F. , Melbrunot , P. and Tartaglia , G.P. 2002 . Review of hydrogen storage by adsorption in carbon nanotubes . Int. J. Hydrogen Energy , 27 : 193 – 202 .
  • Meregalli , V. and Parinello , M. 2001 . Review of theoretical calculations of hydrogen storage in carbon-based materials . Appl. Phys. A , 72 : 143 – 146 .
  • Froudakis , G. 2002 . Hydrogen interaction with carbon nanotubes: A review of ab initio studies . J. Phys. Condens. Matter , 14 : R453 – R465 .
  • Paredes , J.I. , Suárez-García , F. , Villar-Rodil , S. , Martínez-Alonso , A. , Tascón , J.M.D. and Bottani , E.J. 2003 . n2 physisorption on carbon nanotubes: Computer simulation and experimental results . J. Phys. Chem. B , 107 : 8905 – 8916 .
  • Jiang , J. and Sandler , S.I. 2003 . Nitrogen adsorption on carbon nanotube bundles: Role of the external surface . Phys. Rev. B , 68 : 245412
  • Jiang , J. , Wagner , N.J. and Sandler , S.I. 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 . Chem. Chem. Phys. , 6 : 4440 – 4444 .
  • Arora , G. , Wagner , N.J. and Sandler , S.I. 2004 . Adsorption and diffusion of molecular nitrogen in single wall carbon nanotubes . Langmuir , 20 : 6268 – 6277 .
  • Jiang , J. and Sandler , S.I. 2004 . Nitrogen and oxygen mixture adsorption on carbon nanotube bundles from molecular simulation . Langmuir , 20 : 10910 – 10918 .
  • Arora , G. and Sandler , S.I. 2005 . Air separation by single wall carbon nanotubes: Thermodynamics and adsorptive selectivity . J. Chem. Phys. , 123 : 044705
  • Striolo , A. , Chialvo , A.A. , Gubbins , K.E. and Cummings , T. 2005 . Water in carbon nanotubes: Adsorption isotherms and thermodynamic properties from molecular simulation . J. Chem. Phys. , 122 : 234712
  • Gordillo , M.C. , Brualla , L. and Fantoni , S. 2004 . Neon adsorbed in carbon nanotube bundles . Phys. Rev. B , 70 : 245420
  • Marcone , B. , Orlandini , E. , Toigo , F. and Ancilotto , F. 2006 . Condensation of helium in interstitial sites of carbon nanotubes bundles . Phys. Rev. B , 74 : 085415
  • Simonyan , V.V. , Johnson , J.K. , Kuznetsova , A. and Yates , J.T. 2001 . Molecular simulation of xenon adsorption on single-walled carbon nanotubes . J. Chem. Phys. , 114 : 4180 – 4185 .
  • Vlugt , T.J.H. , Krishna , R. and Smit , B. 1999 . Molecular simulations of adsorption isotherms for linear and branched alkanes and their mixtures in silicalite . J. Phys. Chem. B , 103 : 1102 – 1118 .
  • Du , Z. , Manos , G. , Vlugt , T.J.H. and Smit , B. 1998 . Molecular simulation of adsorption of short linear alkanes and their mixtures in silicalite . AIChE J. , 44 : 1756 – 1764 .
  • Heyden , A. , Düren , T. and Keil , F.J. 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 .
  • Schenk , M. , Vidal , S.L. , Vlugt , T.J.H. , Smit , B. and Krishna , R. 2001 . Separation of alkane isomers by exploiting entropy effects during adsorption on silicalite-1: A configurational-bias Monte Carlo simulation study . Langmuir , 17 : 1558 – 1570 .
  • Jakobtorweihen , S. , Hansen , N. and Keil , F.J. 2005 . Molecular simulation of alkene adsorption in zeolites . Mol. Phys. , 103 : 471 – 489 .
  • Rafii-Tabar , H. 2008 . Computational Physics of Carbon Nanotubes , Cambridge : Cambridge University Press .
  • Martin , M.G. and Siepmann , J.I. 1998 . Transferable potentials for phase equilibria 1. United-atom description of n-alkanes . J. Phys. Chem. B , 102 : 2569 – 2577 .
  • Wick , C.D. , Martin , M.G. and Siepmann , J.I. 2000 . Transferable potentials for phase equilibria 4. United-atom description of linear and branched alkenes and alkylbenzenes . J. Phys. Chem. B , 104 : 8008 – 8016 .
  • Steele , W.A. 1974 . The Interaction of Gases with Solid Surfaces , Oxford : Pergamon .
  • Frenkel , D. and Smit , B. 2002 . Understanding Molecular Simulations, from Algorithms to Applications , 2nd ed. , San Diego : Academic Press .
  • Macedonia , M.D. and Maginn , E.J. 1999 . A biased grand canonical Monte Carlo method for simulating adsorption using all-atom and branched united atom models . Mol. Phys. , 96 : 1375 – 1390 .
  • Saito , R. , Fujita , M. , Dresselhaus , G. and Dresselhaus , M.S. 1992 . Electronic structure of chiral graphene tubules . Appl. Phys. Lett. , 60 : 2204 – 2206 .
  • Vlugt , T.J.H. and Schenk , M. 2002 . Influence of framework flexibility on the adsorption properties of hydrocarbons in the zeolite silicalite . J. Phys. Chem. B , 106 : 12757 – 12763 .
  • Jakobtorweihen , S. , Verbeek , M.G. , Lowe , C.P. , Keil , F.J. and Smit , B. 2005 . Understanding the loading dependence of self-diffusion in carbon nanotubes . Phys. Rev. Lett. , 95 : 044501
  • Allen , M. and Tildesley , D.J. 1987 . Computer Simulation of Liquids , Oxford : Clarendon Press .
  • Siepmann , J.I. and Frenkel , D. 1992 . Configurational bias monte carlo: A new sampling scheme for flexible chains . Mol. Phys. , 75 : 59 – 70 .
  • Frenkel , D. , Mooij , G. and Smit , B. 1992 . Novel scheme to study structural and thermal properties of continuously deformable molecules . J. Phys. Condens Matter , 4 : 3053 – 3076 .
  • Jakobtorweihen , S. , Hansen , N. and Keil , F.J. 2006 . Combining reactive and configurational-bias Monte Carlo: Confinement influence on the propene metathesis reaction system in various zeolites . J. Chem. Phys. , 125 : 224709
  • Poling , B.E. , Prausnitz , J.M. and O'Connell , J. 2000 . The Properties of Gases and Liquids , 5th ed. , New York : McGraw-Hill .
  • Smit , B. and Siepmann , J.I. 1994 . Computer simulations of the energetics and sitting of n-alkanes in zeolites . J. Phys. Chem. , 98 : 8442 – 8452 .
  • Denayer , J.F. , Souverijns , W. , Jacobs , A. , Martens , J.A. and Baron , G.V. 1998 . High-temperature low-pressure adsorption of branched C5–C8 alkanes on zeolite beta, zsm-5, zsm-22, zeolite y, and mordenite . J. Phys. Chem. B , 102 : 4588 – 4597 .
  • Smit , B. and Siepmann , J.I. 1994 . Simulating the adsorption of alkanes in zeolites . Science , 264 : 1118 – 1120 .
  • Thamm , H. , Stach , H. and Berezin , G.I. 1984 . Anfangsadsorptionswärmen von Gasen und Dämpfen an den SiO2-Molekularsieben US-Ex und Silicalit . Z. Chem. , 24 : 420 – 421 .
  • Bruce , C.D. , Rybolt , T.R. , Thomas , H.E. , Agnew , T.E. and Davis , B.S. 1997 . Two-surface virial analysis of alkane adsorption on carbopack c with and without hydrogen treatment . J. Colloid Interface Sci. , 194 : 448 – 454 .
  • Myers , A.L. and Prausnitz , J.M. 1965 . Thermodynamics of mixed gas adsorption . AIChE J. , 11 : 121 – 127 .
  • Charlier , J.-C. , Gonze , X. and Michenaud , J. 1995 . First-principles study of carbon nanotube solid-state packings . Europhys. Lett. , 29 : 43 – 48 .
  • Holt , J.K. , Park , H.G. , wang , Y. , Stadermann , M. , Artyukhin , A.B. , Grigoropoulos , C. , Noy , A. and bakajin , O. 2006 . Fast mass transport through sub-2-nanometer carbon nanotubes . Science , 312 : 1034 – 1037 .
  • Hinds , B.J. , Chopra , N. , Rantell , T. , Andrews , R. , Gavalas , V. and Bachas , L.G. 2004 . Aligned multiwalled carbon nanotube membranes . Science , 303 : 62 – 65 .
  • Agnihotri , S. and Yun , F.-L. 2006 . “ Fundamental structural properties of single-walled carbon nanotubes: Reopening the debate over hydrogen storage, AIChE Spring National Meeting, Conference Proceedings ” . P43844 New York, NY : Americal Institute of Chemical Engineers .

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