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Anisotropic molecular self-diffusion

It has been demonstrated that the combined application of various NMR techniques for observing molecular rotations and migrations on different time scales can contribute to a deeper understanding of the elementary steps of molecular diffusion in zeolite catalysts. The NMR results (self-diffusion coefficients, anisotropic diffiisivities, jump lengths, and residence times) can be correlated with corresponding neutron scattering data and sorption kinetics as well as molecular dynamics calculations, thus giving a comprehensive picture of molecular motions in porous solids. [Pg.409]

Leroy, F., and Rousseau, B. 2004. Self-diffusion of n-alkanes in MFl type zeolite using molecular dynamics simulations with an anisotropic united atom (AUA) forcefield Mol. Simul. Vol. 30 pp 617-620. [Pg.302]

See other pages where Anisotropic molecular self-diffusion is mentioned: [Pg.386]    [Pg.393]    [Pg.554]    [Pg.133]    [Pg.57]    [Pg.369]    [Pg.467]    [Pg.259]    [Pg.527]    [Pg.528]    [Pg.41]    [Pg.176]    [Pg.369]    [Pg.346]    [Pg.353]    [Pg.80]    [Pg.173]    [Pg.170]    [Pg.416]    [Pg.386]   
See also in sourсe #XX -- [ Pg.11 ]



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Self-diffusion

Self-diffusivities

Self-diffusivity

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