Molecular dynamics simulation of iso- and n-butane permeations through a ZSM-5 type silicalite membrane

Hiromitsu Takaba, Ryo Koshita, Koichi Mizukami, Yasunori Oumi, Nobuyasu Ito, Momoji Kubo, Adil Fahmi, Akira Miyamoto

Research output: Contribution to journalArticlepeer-review

45 Citations (Scopus)

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 languageEnglish
Pages (from-to)127-139
Number of pages13
JournalJournal of Membrane Science
Volume134
Issue number1
DOIs
Publication statusPublished - 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

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