Mixed matrix membranes
(MMMs), incorporating graphene and graphene
oxide structural fragments, have emerged as promising materials for
challenging gas separation processes. What remains unclear is the
actual molecular mechanism responsible for the enhanced permeability
and perm-selectivity of these materials. With the fully atomistic
models still unable to handle the required time and length scales,
here, we employ a simple qualitative model based on the lattice representation
of the physical system and dynamic mean field theory. We demonstrate
that the performance enhancement results from the flux-regularization
impact of the 2D nanoflakes and that this effect sensitively depends
on the orientation of the nanoflakes and the properties of the interface
between the nanoflakes and the polymer.