Enhancement of CO2/N2 Mixture Separation Using the Thermodynamic Stepped Behavior of Adsorption in Metal−Organic Frameworks
Source abstract
Abstract
A novel separation concept based on the stepped behaviors of adsorption in nanoporous materials was brought out in this work. Molecular simulations were performed to investigate the effect of such stepped phenomena on the separation of CO 2 /N 2 gas mixture in metal−organic frameworks (MOFs). The simulation results show that the stepped behaviors occurring in the isotherms of CO 2 can significantly enhance the adsorption selectivity of CO 2 from the mixture. The underlying mechanism examined at the molecular level reveals that the stepped phenomenon is mainly caused by the electrostatic interactions between CO 2 molecules. In addition, this work shows that the lithium-modified MOFs can greatly reduce the pressure at which the stepped behavior occurs and also enhance the selectivity of CO 2 from CO 2 /N 2 gas mixture.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Metal-Organic Frameworks: Synthesis and Applications · Covalent Organic Framework Applications · Carbon Dioxide Capture Technologies
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Laboratory of Computational Chemistry, Department of Chemical Engineering, Beijing University of Chemical Technology, Beijing 100029, China
References (51)
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