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@ARTICLE{Chathoth:9359,
      author       = {Chathoth, S. and Mamontov, E. and Melnichenko, Y. and
                      Zamponi, M.},
      title        = {{D}iffusion and adsorption of methane confined in
                      nano-porous carbon aerogel: {A} combined quasi-elastic and
                      small-angle neutron scattering study},
      journal      = {Microporous and mesoporous materials},
      volume       = {132},
      issn         = {1387-1811},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier},
      reportid     = {PreJuSER-9359},
      year         = {2010},
      note         = {The authors wish to thank G.D. Wignall for careful reading
                      the manuscript and helpful suggestions. This Research at Oak
                      Ridge National Laboratory's Spallation Neutron Source and
                      High Flux Isotope Reactor was sponsored by the Laboratory
                      Directed Research and Development Program and the Scientific
                      User Facilities Division, Office of Basic Energy Sciences,
                      US Department of Energy. This research was supported in part
                      by the ORNL Postdoctoral Research Associates Program,
                      administered jointly by the ORNL and the Oak Ridge Institute
                      for Science and Education.},
      abstract     = {The diffusion of methane confined in nano-porous carbon
                      aerogel with the average pore size 48 angstrom and porosity
                      similar to $60\%$ was investigated as a function of pressure
                      at T = 298 K using quasi-elastic neutron scattering (QENS).
                      The diffusivity of methane shows a clear effect of
                      confinement: it is about two orders of magnitude lower than
                      in bulk at the same thermodynamic conditions and is close to
                      the diffusivity of liquid methane at 100 K (i.e. similar to
                      90 K below the liquid-gas critical temperature T-c
                      approximate to 191 K). The diffusion coefficient (D) of
                      methane initially increases with pressure by a factor of
                      similar to 2.5 from 3.47 +/- 0.41 x 10(-10) m(2) s(-1) at
                      0.482 MPa to D = 8.55 +/- 0.33 x 10(-10) m(2) s(-1) at 2.75
                      MPa and starts to decrease at higher pressures. An
                      explanation of the observed non-monotonic behavior of the
                      diffusivity in the confined fluid is based on the results of
                      small-angle neutron scattering experiments of the phase
                      behavior of methane in a similar carbon aerogel sample. The
                      initial increase of the diffusion coefficient with pressure
                      is explained as due to progressive filling of bigger pores
                      in which molecular mobility in the internal pore volume is
                      less affected by the sluggish liquid-like molecular mobility
                      in the adsorbed phase. Subsequent decrease of D, is
                      associated with the effect of intermolecular collisions,
                      which result in a lower total molecular mobility with
                      pressure, as in the bulk state. The results are compared
                      with the available QENS data on the methane diffusivity in
                      zeolites, metal organic frameworks, and porous silica as
                      well as with the molecular dynamics simulations of methane
                      in nano-porous carbons and silica zeolites. (C) 2010
                      Elsevier Inc. All rights reserved.},
      keywords     = {J (WoSType)},
      cin          = {IFF-5 / IFF-4 / Jülich Centre for Neutron Science JCNS
                      (JCNS) ; JCNS},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB785 / I:(DE-Juel1)VDB784 /
                      I:(DE-Juel1)JCNS-20121112},
      pnm          = {BioSoft: Makromolekulare Systeme und biologische
                      Informationsverarbeitung / Großgeräte für die Forschung
                      mit Photonen, Neutronen und Ionen (PNI)},
      pid          = {G:(DE-Juel1)FUEK505 / G:(DE-Juel1)FUEK415},
      shelfmark    = {Chemistry, Applied / Chemistry, Physical / Nanoscience $\&$
                      Nanotechnology / Materials Science, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000277551300019},
      doi          = {10.1016/j.micromeso.2010.02.012},
      url          = {https://juser.fz-juelich.de/record/9359},
}