TY - JOUR
T1 - Permeation dynamics of small molecules through silica membranes
T2 - molecular dynamics study
AU - Takaba, Hiromitsu
AU - Mizukami, Koichi
AU - Kubo, Momoji
AU - Fahmi, Adil
AU - Miyamoto, Akira
PY - 1998/6
Y1 - 1998/6
N2 - 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.
AB - 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.
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U2 - 10.1002/aic.690440611
DO - 10.1002/aic.690440611
M3 - Article
AN - SCOPUS:0032098454
VL - 44
SP - 1335
EP - 1343
JO - AICHE Journal
JF - AICHE Journal
SN - 0001-1541
IS - 6
ER -