Computational Materials Science2022,Vol.21010.DOI:10.1016/j.commatsci.2021.111032

Interfacial layer thickness is a key parameter in determining the gas separation properties of spherical nanoparticles-mixed matrix membranes: A modeling perspective

Chehrazi, Ehsan
Computational Materials Science2022,Vol.21010.DOI:10.1016/j.commatsci.2021.111032

Interfacial layer thickness is a key parameter in determining the gas separation properties of spherical nanoparticles-mixed matrix membranes: A modeling perspective

Chehrazi, Ehsan1
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作者信息

  • 1. Shahid Beheshti Univ
  • 折叠

Abstract

The existing traditional models cannot accurately predict the gas permeability of spherical nanoparticle-mixed matrix membranes (SP-MMMs) due to ignoring the physical and chemical characteristics of the SP/matrix interface. In this paper, first, a new model is derived for the prediction of thermal conductivity of SP-polymer composites according to multiple scattering theory. Then, a new theoretical model for gas permeability of SPMMMs is developed based on the analogy with the derived model for the prediction of thermal conductivity. The significant feature of the new model is its ability to quantify the crucial role of SPs/matrix interface in gas permeability by introducing a new dense interfacial layer thickness (aint) parameter, which increases with increasing the strength of interfacial interactions. It is demonstrated that the value of aint is independent of the nature of gas molecules and mathematically correlated to the strength of SPs/matrix interfacial interactions. Finally, the gas permeability of SP-MMMs is accurately predicted by inserting the values of non-adjustable aint parameter, obtained from the correlation, diameter of SPs as well as the gas permeability of matrix into the new model, without using any adjustable parameter. Moreover, this technique can be utilized to determine the dense interfacial layer thickness in SP-polymer composites using gas permeation data.

Key words

Mixed matrix membrane/Spherical nanoparticles/Gas separation/Modeling/Dense interfacial layer thickness/NANOCOMPOSITE MEMBRANES/THERMAL-CONDUCTIVITY/GRAPHENE OXIDE/CO2 SEPARATION/PERMEATION PROPERTIES/SILICA NANOPARTICLES/INORGANIC FILLERS/CARBON NANOTUBES/POLYMERS/COMPOSITE

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出版年

2022
Computational Materials Science

Computational Materials Science

EISCI
ISSN:0927-0256
被引量4
参考文献量71
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