Supplementary material from "Using polarizable flexible force fields to design metal-organic framework-containing mixed matrix membranes for hydrogen purification from solar water splitting"
In this study, mixed matrix membranes (MMMs) consisting of a continuous polymer phase and a dispersed metal-organic framework (MOF) phase were designed to purify hydrogen from the solar water splitting process. We first identified 20 MOFs with a small pore limiting diameter of ≤3 Å to restrict the passage of larger mol...