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System Size-Dependent Transport Properties in Materials of Nanoscale Dimension by Ravi C. Dutta; Christian C. Zuluaga-Bedoya; Suresh K. Bhatia is a Materials Science article available to read on EtoBox.

What is System Size-Dependent Transport Properties in Materials of Nanoscale Dimension about?

Fluid transport in finite-sized nanoporous materials is critically affected by apparent interfacial barriers, which severely restrict efficiency improvement on reduction in system size; however, the mechanism leading to this effect even in defect-free materials is unknown. Using large-scale atomistic simulations emulating carbon nanotube (CNT) and zeolite membranes up to a micrometer thick, we demonstrate that transport coefficients in finite nanomaterials are non-uniform and increase with distance from the external surface, attaining the bulk system value far from the surface. Attenuation of transport occurs in a finite entrance region of developing fluid flow, in which the fluid momentum decorrelates from that at the entry and whose extent depends on the texture of the pore surface. This effect disguises as interfacial resistance in nanomaterials and has remarkable effects on membrane selectivity. Thus, finite CNTs can be selective for H 2 over CH 4 , in contrast to the corresponding infinite tube that is selective for CH 4 , due to the smaller apparent interfacial resistance for H 2 . The simulations, covering a wide range of conditions, reveal a quantitative correlation between

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Author

Ravi C. Dutta; Christian C. Zuluaga-Bedoya; Suresh K. Bhatia

Publisher

American Chemical Society (ACS)

Published

2021

Language

EN

Field

Materials Science (Physical Sciences)