Evaluating CH4/N2 Separation Performances of Hundreds of Thousands of Real and Hypothetical MOFs by Harnessing Molecular Modeling and Machine Learning
Considering the large abundance and diversity of metal–organic frameworks (MOFs),
evaluating the gas adsorption and separation performance of the entire MOF material space …
evaluating the gas adsorption and separation performance of the entire MOF material space …
Ionic liquids in acetylene separation: Progress and challenges
C Liang, D Chai, Y Zhang, H Zhang, H Li - Separation and Purification …, 2024 - Elsevier
The efficient separation of acetylene (C 2 H 2) is crucial for the production of high-purity
polymerization-grade ethylene and other chemicals, as it is frequently present in crude …
polymerization-grade ethylene and other chemicals, as it is frequently present in crude …
Thiadiazole-Functionalized Th/Zr-UiO-66 for Efficient C2H2/CO2 Separation
X Wang, H Liu, M Sun, H Wang, X Feng… - … Applied Materials & …, 2024 - ACS Publications
Adsorptive separation technology provides an effective approach for separating gases with
similar physicochemical properties, such as the purification of acetylene (C2H2) from carbon …
similar physicochemical properties, such as the purification of acetylene (C2H2) from carbon …
Machine learning aided computational exploration of metal–organic frameworks with open Cu sites for the effective separation of hydrogen isotopes
Efficient separation of hydrogen isotopes is of vital importance to develop nuclear energy
industry, while it remains a significant challenge to separate D 2 from H 2 due to their …
industry, while it remains a significant challenge to separate D 2 from H 2 due to their …
Unveiling Cutting-edge progress in coordination chemistry of the Metal-Organic frameworks (MOFs) and their Composites: Fundamentals, synthesis Strategies …
Metal-organic frameworks (MOFs) refer to materials consisting of metal ions connected to
organic ligands and resulting in tightly packed, periodically porous structures. The present …
organic ligands and resulting in tightly packed, periodically porous structures. The present …
Molecular fingerprint and machine learning enhance high-performance MOFs for mustard gas removal
J Ni, J Li, S Li, H Zheng, Z Ming, L Li, H Li, S Zhang… - iScience, 2024 - cell.com
Chemical warfare agents (CWAs), epitomized by the notoriously used mustard gas (HD),
represent a class of exceptionally toxic chemicals whose airborne removal is paramount for …
represent a class of exceptionally toxic chemicals whose airborne removal is paramount for …
Optimizing host–guest selectivity through side-chain modification of pillar [6] arenes for o-ethyltoluene/m-ethyltoluene separation
Separation of o-ethyltoluene (OET) and m-ethyltoluene (MET) poses a significant challenge
in industrial applications due to their closely matched boiling points and similar chemical …
in industrial applications due to their closely matched boiling points and similar chemical …
Topological Data Analysis Combined with High-Throughput Computational Screening of Hydrophobic Metal–Organic Frameworks: Application to the Adsorptive …
Y Yang, S Guo, S Li, Y Wu, Z Qiao - Nanomaterials, 2024 - mdpi.com
The shape and topology of pores have significant impacts on the gas storage properties of
nanoporous materials. Metal–organic frameworks (MOFs) are ideal materials with which to …
nanoporous materials. Metal–organic frameworks (MOFs) are ideal materials with which to …
[HTML][HTML] Combining computational screening and machine learning to explore MOFs and COFs for methane purification
Metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) have great
potential to be used as porous adsorbents and membranes to achieve high-performance …
potential to be used as porous adsorbents and membranes to achieve high-performance …