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6211850 
Book/Book Chapter 
Molecular dynamics simulations of diffusion in a cubic symmetry zeolite 
Demontis, P; Suffritti, GB 
1994 
1 
Studies in surface science and catalysis
ISSN: 0167-2991 
Elsevier 
Studies in Surface Science and Catalysis 
84 
2107-2113 
Extensive Molecular Dynamics simulations of methane in dealuminated zeolite A at different loadings and temperatures have been performed both with fixed and animated framework. Among other effects, the crucial role of the pore opening in controlling the long range diffusivity is evidenced. 
Weitkamp, J.