Distinct diffusion in binary mixtures confined in slit graphite pores
Article Abstract:
Equilibrium molecular dynamics simulations are used to evaluate distinct diffusion coefficients in the barycentric reference frame for equimolar binary mixtures confined in slit-shaped graphite pores. In all mixtures the ratio of the interaction energies and mass ratios are similar to those of a Xe-Ar mixture with sigma22/sigma11 varied between 1 and 1.4.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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Diffusion of propane in zeolite NaY: A molecular dynamics and quasi-elastic neutron scattering study
Article Abstract:
Results obtained from molecular dynamics (MD) simulations and quasi-elastic neutron scattering (QENS) measurements of diffusion of propane in NaY zeolite are reported. The results obtained are in good agreement with the experimental QENS results.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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Dynamics of alkyl chains in monolayer-protected Au and Ag clusters and silver thiolates: a comprehensive quasielastic neutron scattering investigation
Article Abstract:
The temperature-dependent dynamics of monolayer-protected Au and Ag nanoclusters and silver thiolates with varying chain lengths are investigated with quasielestic neutron scattering. The results obtained from this study are reported.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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