Computer simulation of incommensurate diffusion in zeolites: understanding window effects

Authors :: Dubbeldam, David
Smit, Berend
Buffle, Jacques
Goulet, Richard R.
Tessier, Andre
Source :: Journal of Physical Chemistry B. Nov 6, 2003, Vol. 107 Issue 44, p12138, 15 p.
Publication Year :: 2003
Abstract: The adsorption and diffusion of linear alkanes in ERI-, CHA-, and LTA-type zeolites is studied. ERI-, CHA-, and LTA-type zeolites consist of cages separated by 0.4 nm wide windows and these windows form large free energy barriers to diffusion.

Subjects :: Silicones -- Research
Silicones -- Chemical properties
Alkanes -- Research
Alkanes -- Chemical properties
Zeolites -- Research
Zeolites -- Chemical properties
Zeolites -- Atomic properties
Chemicals, plastics and rubber industries

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