Browsing by Subject "Membrane"
Now showing items 1-5 of 5
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Accelerating discovery of COFs for CO2 capture and H2 purification using structurally guided computational screening
(Elsevier, 2022-01-01)Screening of hypothetical covalent organic framework (hypoCOF) database enables to go beyond the current synthesized structures to design high-performance materials for CO2 separation. In this work, we followed a structurally ... -
Do new MOFs perform better for CO2 capture and H2 purification? Computational screening of the updated MOF database
(ACS Publications, 2020-09-16)High-throughput computational screening of metal organic frameworks (MOFs) enables the discovery of new promising materials for CO2 capture and H2 purification. The number of synthesized MOFs is increasing very rapidly, ... -
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 ... -
Metal-organic framework-based materials for the abatement of air pollution and decontamination of wastewater
(Elsevier, 2022-09)Developing new and efficient technologies for environmental remediation is becoming significant due to the increase in global concerns such as climate change, severe epidemics, and energy crises. Air pollution, primarily ... -
Molecular simulations of bio-MOF membranes for uremic toxin separation
(2021-08-27)Metal organic frameworks (MOFs) have recently gained importance for gas and liquid separations due to their large surface areas and tuneable pore sizes. The accumulation of urea and creatinine which are small and ...
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