Browsing Faculty of Engineering by Author "Dağlar, H."
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Effect of metal–organic framework (MOF) database selection on the assessment of gas storage and separation potentials of MOFs
Dağlar, H.; Gulbalkan, H. C.; Avcı, G.; Aksu, G. O.; Altundal, O. F.; Altintas, C.; Fındıkçı, İlknur Eruçar; Keskin, S. (Wiley, 2021-03-29)Development of computation-ready metal–organic framework databases (MOF DBs) has accelerated high-throughput computational screening (HTCS) of materials to identify the best candidates for gas storage and separation. These ... -
Exploring the performance limits of MOF/polymer MMMs for O2/N2 separation using computational screening
Dağlar, H.; Fındıkçı, İlknur Eruçar; Keskin, S. (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
Dağlar, H.; Fındıkçı, İlknur Eruçar; Keskin, S. (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 ...
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