The importance of various degrees of freedom in the theoretical study of the diffusion of methane in silicalite-1

Autor:	Reinhold Haberlandt, Siegfried Fritzsche, Max Wolfsberg
Rok vydání:	2003
Předmět:	Anisotropic diffusion General Physics and Astronomy Thermodynamics Lattice vibration Methane Vibration chemistry.chemical_compound chemistry Lattice (order) Molecule Physical chemistry Physics::Chemical Physics Physical and Theoretical Chemistry Zeolite
Zdroj:	Chemical Physics. 289:321-333
ISSN:	0301-0104
Popis:	The self diffusion coefficient of methane in silicalite-1 is influenced by the flexibility of the lattice unlike the self diffusion coefficient of methane in the cation-free zeolite of type A. In the present paper, besides the influence of lattice vibrations on this process, the influence of internal vibrations of the methane molecule and the applicability of several spherical models of this molecule are examined. The method of moments [Chem. Phys. Lett. 198 (1992) 283] is generalized to anisotropic diffusion.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a312c4c439995f865e4e2ce9a10d3278 https://doi.org/10.1016/s0301-0104(03)00058-2 Zobrazit plný text záznamu Full Text from ScienceDirect