Abstract
Molecular dynamics simulation of the permeation processes of single and mixed gases of iso- and n-butane through a ZSM-5 type silicalite membrane are presented. After 200 ps of simulation time the permeation of n-butane is observed whereas the permeation of iso-butane is not observed. The permeation of n-butane at 373 K takes place after the saturation of the zeolite pores, whereas at higher temperature, 773 K, it occurs without significant pores saturation. The calculated permeability of n-butane is close to experimental data. The permeation of the gas mixture shows that the membrane can separate the two isomers, n-butane permeates whereas iso-butane does not.
Original language | English |
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Pages (from-to) | 127-139 |
Number of pages | 13 |
Journal | Journal of Membrane Science |
Volume | 134 |
Issue number | 1 |
DOIs | |
Publication status | Published - 1997 Oct 15 |
Keywords
- Butane isomers
- Diffusion
- Gas separations
- Microporous and porous membranes
- Theory
ASJC Scopus subject areas
- Biochemistry
- Materials Science(all)
- Physical and Theoretical Chemistry
- Filtration and Separation