Title of article
Influence of exchangeable cations on the diffusion of neutral diffusants in zeolites of type LTA. An MD study
Author/Authors
Fritzsche، نويسنده , , S and Haberlandt، نويسنده , , Nils and Kنrger، نويسنده , , J and Pfeifer، نويسنده , , K. Heinzinger، نويسنده , , K and Wolfsberg، نويسنده , , M، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1995
Pages
6
From page
361
To page
366
Abstract
Diffusion of methane in LTA type zeolites has been calculated from molecular dynamics simulations. Taking into account the polarization interaction of the exchangeable cations in the zeolite NaCaA with the methane molecules, the self-diffusion coefficients in NaCaA decrease by one order of magnitude in comparison with its cation-free analogue ZK4. The order of magnitude of the calculated values is in agreement with NMR data.
Journal title
Chemical Physics Letters
Serial Year
1995
Journal title
Chemical Physics Letters
Record number
1771113
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