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
An MD simulation on the applicability of the diffusion equation for molecules adsorbed in a zeolite
✍ Scribed by S. Fritzsche; R. Haberlandt; J. Kärger; H. Pfeifer; K. Heinzinger
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 374 KB
- Volume
- 198
- Category
- Article
- ISSN
- 0009-2614
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