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@ARTICLE{Acosta:51634,
      author       = {Acosta, R. H. and Agulles-Pedrós, L. and Komin, S. and
                      Sebastianai, D. and Spiess, H. W. and Blümler, P.},
      title        = {{D}iffusion in binary gas mixtures studied by {NMR} of
                      hyperpolarized gases and molecular dynamic simulations},
      journal      = {Physical Chemistry Chemical Physics},
      volume       = {8},
      issn         = {1463-9076},
      address      = {Cambridge},
      publisher    = {RSC Publ.},
      reportid     = {PreJuSER-51634},
      pages        = {4182 - 4188},
      year         = {2006},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {The dependence of the individual mean square displacement
                      of rare gases in binary mixtures is studied by a combined
                      experimental and theoretical approach. We show that the
                      diffusion constant can be varied in a considerable range by
                      changing the molar fractions of the mixtures. On the
                      experimental side, NMR diffusion measurements are done on
                      hyperpolarized 3He and 129Xe, mixed with several inert
                      buffer gases, in the presence of a magnetic field gradient.
                      The results are compared to diffusion coefficients obtained
                      from atomistic molecular dynamics simulations based on
                      Lennard-Jones type potentials of the corresponding gas
                      mixtures, and to appropriate analytical expressions,
                      yielding very good mutual agreement. This study is the first
                      quantitative validation of the effects of the mutual
                      interactions between gas particles on the individual
                      diffusion properties. It is shown that the dependency of gas
                      phase diffusion properties on the local chemical environment
                      may not be neglected, e.g. in diffusion-controlled chemical
                      reactions.},
      keywords     = {Complex Mixtures: analysis / Complex Mixtures: chemistry /
                      Computer Simulation / Diffusion / Gases: analysis / Gases:
                      chemistry / Magnetic Resonance Spectroscopy: methods /
                      Models, Chemical / Models, Molecular / Molecular Weight /
                      Particle Size / Static Electricity / Complex Mixtures (NLM
                      Chemicals) / Gases (NLM Chemicals) / J (WoSType)},
      cin          = {ICG-III},
      ddc          = {540},
      cid          = {I:(DE-Juel1)VDB49},
      pnm          = {Terrestrische Umwelt},
      pid          = {G:(DE-Juel1)FUEK407},
      shelfmark    = {Chemistry, Physical / Physics, Atomic, Molecular $\&$
                      Chemical},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:16971986},
      UT           = {WOS:000240545000004},
      doi          = {10.1039/b609316g},
      url          = {https://juser.fz-juelich.de/record/51634},
}