Tuning MOF/polymer interfacial pore geometry in mixed matrix membrane for upgrading CO₂ separation performance.

ABSTRACT: The current paradigm considers the control of the MOF/polymer interface mostly for achieving a good compatibility between the two components to ensure the fabrication of continuous mixed-matrix metal-organic framework (MMMOF) membranes. Here, we unravel that the interfacial pore shape nanostructure plays a key role for an optimum molecular transport. The prototypical ultrasmall pore AlFFIVE-1-Ni MOF was assembled with the polymer PIM-1 to design a composite with gradually expanding pore from the MOF entrance to the MOF/polymer interfacial region. Concentration gradient-driven molecular dynamics simulations demonstrated that this pore nanostructuring enables an optimum guided path for the gas molecules at the MOF/polymer interface that decisively leads to an acceleration of the molecular tr

SUBMITTER: Ozcan A 

PROVIDER: S-EPMC11235163 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature