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Molecular simulation of separation of CO2 from flue gases in CU‐BTC metal‐organic framework
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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Cited by
Metal–Organic Frameworks for Separations
Li, J.-R., Sculley, J., & Zhou, H.-C. (2012) · Chemical Reviews · doi:10.1021/cr200190s · Cited by 6,323
Carbon Dioxide Capture: Prospects for New Materials
D'Alessandro, D. M., Smit, B., & Long, J. R. (2010) · Angewandte Chemie International Edition · doi:10.1002/anie.201000431 · Cited by 4,046
Al-Janabi, N., Hill, P., Torrente-Murciano, L., Garforth, A., Gorgojo, P., Siperstein, F., & Fan, X. (2015) · Chemical Engineering Journal · doi:10.1016/j.cej.2015.07.020 · Cited by 386
Sorbents for CO2 capture from flue gas—aspects from materials and theoretical chemistry
Hedin, N., Chen, L., & Laaksonen, A. (2010) · Nanoscale · doi:10.1039/c0nr00042f · Cited by 243
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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- 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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