Progress toward the computational discovery of new metal–organic framework adsorbents for energy applications

PZ Moghadam, YG Chung, RQ Snurr - Nature Energy, 2024 - nature.com
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 …

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 …

Advances, updates, and analytics for the computation-ready, experimental metal–organic framework database: CoRE MOF 2019

YG Chung, E Haldoupis, BJ Bucior… - Journal of Chemical & …, 2019 - ACS Publications
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 …

[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 …

Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks

BJ Bucior, NS Bobbitt, T Islamoglu… - … Systems Design & …, 2019 - pubs.rsc.org
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 …

Topologically guided, automated construction of metal–organic frameworks and their evaluation for energy-related applications

YJ Colón, DA Gómez-Gualdrón… - Crystal Growth & …, 2017 - ACS Publications
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 …

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 …

Metal-organic frameworks for C6–C8 hydrocarbon separations

Z Zhang, SB Peh, C Kang, K Chai, D Zhao - EnergyChem, 2021 - Elsevier
Hydrocarbon separations are crucial to the chemical industry for the production of valuable
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 …