Search
Now showing items 1-3 of 3
Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure–performance relations
(Royal Society of Chemistry, 2018-04-14)
Design of new membranes having high H2/CH4 selectivity and high H2 permeability is strongly desired to reduce the energy demand for H2 production. Metal organic frameworks (MOFs) offer a great promise for membrane-based ...
Exploring the performance limits of MOF/polymer MMMs for O2/N2 separation using computational screening
(Elsevier, 2021-01-15)
Air separation is one of the most challenging separations because of the very similar molecular dimensions of gas molecules. We used a high-throughput computational screening approach to identify the upper performance ...
Recent advances in simulating gas permeation through MOF membranes
(Royal Society Publishing, 2021-08-21)
In the last two decades, metal organic frameworks (MOFs) have gained increasing attention in membrane-based gas separations due to their tunable structural properties. Computational methods play a critical role in providing ...
Share this page