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January 1, 2016Journal of Materials Chemistry A

High-throughput computational screening of 137953 metal–organic frameworks for membrane separation of a CO ₂ /N ₂ /CH ₄ mixture

Zhiwei Qiao Chunwang Peng Zhou Jian Jianwen Jiang

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Key Points

This study aims to identify suitable metal-organic frameworks (MOFs) for separating a CO2/N2/CH4 mixture using membranes.
High-throughput computational screening of 137953 metal-organic frameworks.
Evaluation of membrane separation capabilities for CO2, N2, and CH4.
A selection of MOFs demonstrates potential for effective CO2/N2/CH4 separation.
Identified MOFs could improve efficiency in gas separation processes.

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Implication

Computational study screens metal-organic frameworks for CO2/N2/CH4 membrane separation, indicating potential efficiency.

Abstract

A computational study is reported to high-throughput screen 137953 MOFs for a single-step membrane separation of a CO ₂ /N ₂ /CH ₄ mixture.

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Cite This Study

Qiao et al. (2016) studied this question.

synapsesocial.com/papers/6a64af573703b39e17cfb8f7 https://doi.org/10.1039/c6ta06262h

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