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Progress toward the computational discovery of new metal–organic framework adsorbents for energy applications
Metal–organic frameworks (MOFs) are a class of nanoporous material precisely synthesized
from molecular building blocks. MOFs could have a critical role in many energy …
from molecular building blocks. MOFs could have a critical role in many energy …
Separation and purification of hydrocarbons with porous materials
Y Wu, BM Weckhuysen - Angewandte Chemie International …, 2021 - Wiley Online Library
This Minireview focuses on the developments of the adsorptive separation of
methane/nitrogen, ethene/ethane, propene/propane mixtures as well as on the separation of …
methane/nitrogen, ethene/ethane, propene/propane mixtures as well as on the separation of …
Discrimination of xylene isomers in a stacked coordination polymer
L Li, L Guo, DH Olson, S ** highly efficient adsorbents is crucial for the implementation of …
Advances, updates, and analytics for the computation-ready, experimental metal–organic framework database: CoRE MOF 2019
Over 14 000 porous, three-dimensional metal–organic framework structures are compiled
and analyzed as a part of an update to the Computation-Ready, Experimental Metal …
and analyzed as a part of an update to the Computation-Ready, Experimental Metal …
[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 …
Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks
The low volumetric density of hydrogen is a major limitation to its use as a transportation
fuel. Filling a fuel tank with nanoporous materials, such as metal–organic frameworks …
fuel. Filling a fuel tank with nanoporous materials, such as metal–organic frameworks …
Topologically guided, automated construction of metal–organic frameworks and their evaluation for energy-related applications
Metal–organic frameworks (MOFs) are promising materials for a range of energy and
environmental applications. Here we describe in detail a computational algorithm and code …
environmental applications. Here we describe in detail a computational algorithm and code …
Separation of xylene isomers: a review of recent advances in materials
Y Yang, P Bai, X Guo - Industrial & Engineering Chemistry …, 2017 - ACS Publications
The xylene isomers p-xylene, o-xylene, and m-xylene are aromatic hydrocarbons
comprising with two methyl groups located at different positions on a benzene ring. The …
comprising with two methyl groups located at different positions on a benzene ring. The …
Metal-organic frameworks for C6–C8 hydrocarbon separations
Hydrocarbon separations are crucial to the chemical industry for the production of valuable
feedstocks. However, their structural and chemical similarities have proven daunting …
feedstocks. However, their structural and chemical similarities have proven daunting …
Highly Selective p-Xylene Separation from Mixtures of C8 Aromatics by a Nonporous Molecular Apohost
M Rahmani, CRMO Matos, SQ Wang… - Journal of the …, 2023 - ACS Publications
High and increasing production of separation of C8 aromatic isomers demands the
development of purification methods that are efficient, scalable, and inexpensive, especially …
development of purification methods that are efficient, scalable, and inexpensive, especially …