[HTML][HTML] Recent advances, opportunities, and challenges in high-throughput computational screening of MOFs for gas separations

H Daglar, S Keskin - Coordination Chemistry Reviews, 2020 - Elsevier
In the last two decades, metal organic frameworks (MOFs) have gained significant attention
as adsorbent and membrane materials for gas separations. Due to the large number and …

High throughput methods in the synthesis, characterization, and optimization of porous materials

IG Clayson, D Hewitt, M Hutereau, T Pope… - Advanced …, 2020 - Wiley Online Library
Porous materials are widely employed in a large range of applications, in particular, for
storage, separation, and catalysis of fine chemicals. Synthesis, characterization, and pre …

Truly combining the advantages of polymeric and zeolite membranes for gas separations

X Tan, S Robijns, R Thür, Q Ke, N De Witte, A Lamaire… - Science, 2022 - science.org
Mixed-matrix membranes (MMMs) have been investigated to render energy-intensive
separations more efficiently by combining the selectivity and permeability performance …

Inverse design of porous materials using artificial neural networks

B Kim, S Lee, J Kim - Science advances, 2020 - science.org
Generating optimal nanomaterials using artificial neural networks can potentially lead to a
notable revolution in future materials design. Although progress has been made in creating …

In silico screening of carbon-capture materials

LC Lin, AH Berger, RL Martin, J Kim, JA Swisher… - Nature materials, 2012 - nature.com
One of the main bottlenecks to deploying large-scale carbon dioxide capture and storage
(CCS) in power plants is the energy required to separate the CO2 from flue gas. For …

[HTML][HTML] Structuring adsorbents and catalysts by processing of porous powders

F Akhtar, L Andersson, S Ogunwumi, N Hedin… - Journal of the European …, 2014 - Elsevier
Microporous materials such as zeolites, metal organic frameworks, activated carbons and
aluminum phosphates are suitable for catalysis and separation applications. These high …

Hierarchical porous carbon with tunable apertures and nitrogen/oxygen heteroatoms for efficient adsorption and separation of VOCs

Y Guo, C Su, H Chen, J Wang, B Liu, Z Zeng… - Chemical Engineering …, 2023 - Elsevier
Porous carbon materials are good adsorbent candidates for removing volatile organic
compounds (VOCs) due to their reliability and cost-effectiveness. Especially, the pore size …

Can COFs replace MOFs in flue gas separation? high-throughput computational screening of COFs for CO 2/N 2 separation

OF Altundal, C Altintas, S Keskin - Journal of Materials Chemistry A, 2020 - pubs.rsc.org
Covalent organic frameworks (COFs) are under study as adsorbent and membrane
candidates for gas separation applications. However, experimental testing of all synthesized …

Do New MOFs Perform Better for CO2 Capture and H2 Purification? Computational Screening of the Updated MOF Database

G Avci, I Erucar, S Keskin - ACS Applied Materials & Interfaces, 2020 - ACS Publications
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 …

In silico screening of metal–organic frameworks in separation applications

R Krishna, JM van Baten - Physical Chemistry Chemical Physics, 2011 - pubs.rsc.org
Porous materials such as metal–organic frameworks (MOFs) and zeolitic imidazolate
frameworks (ZIFs) offer considerable potential for separating a variety of mixtures such as …