Permeation dynamics of small molecules through silica membranes: molecular dynamics study

Hiromitsu Takaba, Koichi Mizukami, Momoji Kubo, Adil Fahmi, Akira Miyamoto

Research output: Contribution to journalArticlepeer-review

32 Citations (Scopus)

Abstract

The permeation of He, CO2, and N2 through a thin silica membrane was investigated using molecular dynamics. The permeance of He follows Knudsen flow. The permeation of CO2 is higher than the estimated value from Knudsen theory. Inside the pore, CO2 tends to be parallel to the pore wall. This orientation is suitable for diffusion. In contrast, N2 shows lower permeance compared to the value from Knudsen theory. The molecules present perpendicular orientations inside the pore wall, which reduces their diffusion. In mixed CO2/N2 gas simulation, the selective permeation of CO2 relative to N2 was observed.

Original languageEnglish
Pages (from-to)1335-1343
Number of pages9
JournalAIChE Journal
Volume44
Issue number6
DOIs
Publication statusPublished - 1998 Jun

ASJC Scopus subject areas

  • Biotechnology
  • Environmental Engineering
  • Chemical Engineering(all)

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