Browsing Faculty of Engineering by Author "Daglar, H."
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Computer simulations of 4240 MOF membranes for H2/CH4 separations: insights into structure–performance relations
Altintas, C.; Avci, G.; Daglar, H.; Gülçay, Ezgi; Fındıkçı, İlknur Eruçar; Keskin, S. (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 ... -
Database for CO2 separation performances of MOFs based on computational materials screening
Altintas, C.; Avci, G.; Daglar, H.; Azar, A. N. V.; Velioglu, S.; Fındıkçı, İlknur Eruçar; Keskin, S. (American Chemical Society, 2018-05-23)Metal-organic frameworks (MOFs) are potential adsorbents for CO2 capture. Because thousands of MOFs exist, computational studies become very useful in identifying the top performing materials for target applications in a ... -
An extensive comparative analysis of two MOF databases: high-throughput screening of computation-ready MOFs for CH4 and H2 adsorption
Altintas, C.; Avci, G.; Daglar, H.; Azar, A. N. V.; Fındıkçı, İlknur Eruçar; Velioglu, S.; Keskin, S. (Royal Society of Chemistry, 2019-04-28)Computation-ready metal-organic framework (MOF) databases (DBs) have tremendous value since they provide directly useable crystal structures for molecular simulations. The currently available two DBs, the CoRE DB ... -
Metal-organic framework-based materials for the abatement of air pollution and decontamination of wastewater
Daglar, H.; Altintas, C.; Fındıkçı, İlknur Eruçar; Heidari, G.; Zare, E. N.; Moradi, O.; Srivastava, V.; Iftekhar, S.; Keskin, S.; Sillanpää, M. (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 ...
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