Demontis, Pierfranco and Suffritti, Giuseppe Baldovino (1997) A Molecular dynamics study of diffusion of methane in partially dealuminated zeolite Na A. Molecular Physics, Vol. 91 (4), p. 669-680. ISSN 1362-3028. Article.
Full text not available from this repository.
The diffusion of methane in partially dealuminated zeolite Na A has been studied by molecular dynamics using a vibrating framework model at different loadings and with different aluminium content. Methane molecules were represented by Lennard-Jones particles. The computed diffusion coefficients increase with increasing loading and decreasing aluminium content, in agreement with experiment. The mechanism of the diffusive process is discussed and a detailed analysis of the behaviour of methane molecules in partially dealuminated zeolite Na A is reported.
I documenti depositati in UnissResearch sono protetti dalle leggi che regolano il diritto d'autore
Repository Staff Only: item control page