A Molecular Dynamics Study of Single-Gas and Mixed-Gas N₂ and CH₄ Transport in Triptycene-Based Polyimide Membranes.

ABSTRACT: Fluorinated polyimides incorporated with triptycene units have gained growing attention over the last decade since they present potentially interesting selectivities and a higher free volume with respect to their triptycene-free counterparts. This work examines the transport of single-gas and mixed-gas N₂ and CH₄ in the triptycene-based 6FDA-BAPT homopolyimide and in a block 15,000 g mol^-1/15,000 g mol^-1 6FDA-mPDA/BAPT copolyimide by using molecular dynamics (MD) simulations. The void-space analyses reveal that, while the free volume consists of small-to-medium holes in the 6FDA-BAPT homopolyimide, there are more medium-to-large holes in the 6FDA-mPDA/BAPT copolyimide. The single-gas sorption isotherms for N₂ and CH₄ over th

SUBMITTER: Tanis I 

PROVIDER: S-EPMC10535442 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature