[HTML][HTML] Recent advances, opportunities, and challenges in high-throughput computational screening of MOFs for gas separations
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 …
as adsorbent and membrane materials for gas separations. Due to the large number and …
Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications
Abstract Metal–organic frameworks (MOFs), renowned for their exceptional porosity and
crystalline structure, stand at the forefront of gas adsorption and separation applications …
crystalline structure, stand at the forefront of gas adsorption and separation applications …
Can COFs replace MOFs in flue gas separation? high-throughput computational screening of COFs for CO 2/N 2 separation
Covalent organic frameworks (COFs) are under study as adsorbent and membrane
candidates for gas separation applications. However, experimental testing of all synthesized …
candidates for gas separation applications. However, experimental testing of all synthesized …
High-Throughput Screening of MOF Adsorbents and Membranes for H2 Purification and CO2 Capture
Metal organic frameworks (MOFs) have emerged as great adsorbent and membrane
candidates for separation of CO2/H2 mixtures. The main challenge is the existence of …
candidates for separation of CO2/H2 mixtures. The main challenge is the existence of …
Metal–organic framework UiO-66 layer: a highly oriented membrane with good selectivity and hydrogen permeance
S Friebe, B Geppert, F Steinbach… - ACS Applied Materials & …, 2017 - ACS Publications
The 3D metal–organic framework (MOF) structure UiO-66 [Zr6O4 (OH) 4 (bdc) 6], featuring
triangular pores of approximately 6 Å, has been successfully prepared as a thin supported …
triangular pores of approximately 6 Å, has been successfully prepared as a thin supported …
[HTML][HTML] Multi-scale design of MOF-based membrane separation for CO2/CH4 mixture via integration of molecular simulation, machine learning and process modeling …
Metal-organic framework (MOF) membranes have demonstrated high efficiency for CO 2
capture due to their wide range of pore sizes, high surface area, high porosity, and open …
capture due to their wide range of pore sizes, high surface area, high porosity, and open …
Database for CO2 Separation Performances of MOFs Based on Computational Materials Screening
Metal–organic frameworks (MOFs) are potential adsorbents for CO2 capture. Because
thousands of MOFs exist, computational studies become very useful in identifying the top …
thousands of MOFs exist, computational studies become very useful in identifying the top …
Thermal decomposition kinetics of M− BTC (M= Cu, Co, Zn, and Ce) and M− BTC/Pt composites under oxidative and reductive environments
B Chen, X Zeng, Y Liu, F Xiao, M Huang, KB Tan… - Chemical Engineering …, 2022 - Elsevier
Metal-organic frameworks (MOFs) have been utilized as an important precursor/template to
prepare diverse metal or metal oxide nanomaterials. Herein, we studied the thermal …
prepare diverse metal or metal oxide nanomaterials. Herein, we studied the thermal …
Computational Screening of Metal–Organic Frameworks for Membrane-Based CO2/N2/H2O Separations: Best Materials for Flue Gas Separation
It has become a significant challenge to select the best metal–organic frameworks (MOFs)
for membrane-based gas separations because the number of synthesized MOFs is growing …
for membrane-based gas separations because the number of synthesized MOFs is growing …
[HTML][HTML] MOF-based MMMs breaking the upper bounds of polymers for a large variety of gas separations
Mixed matrix membranes (MMMs) are a strong alternative to the conventional polymeric
membranes which suffer from a trade-off between selectivity and gas permeability …
membranes which suffer from a trade-off between selectivity and gas permeability …