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Molecular simulation of separation of CO2 from flue gases in CU‐BTC metal‐organic framework

Yang, Qingyuan, Xue, Chunyu, Zhong, Chongli, Chen, Jian‐Feng·2007·AIChE Journal

Abstract

In this work, a computational study was performed on the adsorption separation of CO 2 from flue gases (mixtures of CO 2/N 2/O 2) in Cu‐BTC metal‐organic framework (MOF) to investigate the applicability of MOFs to this important industrial system. The computational results showed that Cu‐BTC is a promising material for separation of CO 2 from flue gases, and the macroscopic separation behaviors of the MOF were elucidated at a molecular level to give insight into the underlying mechanisms. The present work not only provided useful information for understanding the separation characteristics of MOFs, but also showed their potential applications in chemical industry. © 2007 American Institute of Chemical Engineers AIChE J, 2007

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Metadata

Authors
Yang, Q., Xue, C., Zhong, C., & Chen, J.
Venue
AIChE Journal
Publisher
Wiley
Published
2007-09-28
Volume
53
Issue
11
Pages
2832-2840
ISSN
  • 0001-1541 (ISSN-L)
  • 1547-5905
OpenAlex
W2171608545
Cited by
259
References
0
FWCI
14.42
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Molecular simulation of separation of CO2 from flue gases in CU‐BTC metal‐organic framework. https://app.cochat.ai/papers/10.1002/aic.11298
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Yang, Q., Xue, C., Zhong, C., & Chen, J. (2007). Molecular simulation of separation of CO2 from flue gases in CU‐BTC metal‐organic framework. AIChE Journal. https://doi.org/10.1002/aic.11298

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