Krypton (Kr) and xenon (Xe) adsorption on two partially fluorinated metal-organic frameworks (FMOFCu and FMOFZn) with different cavity size and topologies are reported. FMOFCu shows an inversion in sorption selectivity toward Kr at temperatures below 0 °C while FMOFZn does not. The 1D microtubes packed along the (101) direction connected through small bottleneck windows in FMOFCu appear to be the reason for this peculiar behavior. The FMOFCu shows an estimated Kr/Xe selectivity of 36 at 0.1 bar and 203 K.
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Adv Mater
December 2024
Key Laboratory of Biomass Chemical Engineering of ministry of Education, College of Chemical and Biological Engineering, Zhejiang University, 866 Yuhangtang Road, Hangzhou, 310058, P. R. China.
The efficient adsorption-based separation of krypton (Kr) and xenon (Xe) is of paramount importance but is challenged by their similar physicochemical properties. While carbon adsorbents are theoretically promising for Kr/Xe sieving, practical success has remained elusive. Here, a series of ultramicroporous carbon molecular sieves synthesized from sucrose-derived hydrochar is reported.
View Article and Find Full Text PDFACS Appl Mater Interfaces
June 2024
Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616, United States.
Efficient separation of Kr from Kr/Xe mixtures is pivotal in nuclear waste management and dark matter research. Thus far, scientists have encountered a formidable challenge: the absence of a material with the ability to selectively adsorb Kr over Xe at room temperature. This study presents a groundbreaking transformation of the renowned metal-organic framework (MOF) CuBTC, previously acknowledged for its Xe adsorption affinity, into an unparalleled Kr-selective adsorbent.
View Article and Find Full Text PDFMembranes (Basel)
August 2023
Department of Chemical and Biological Engineering, Illinois Institute of Technology, Chicago, IL 60616, USA.
Recent experimental work has shown zeolite membrane-based separation as a promising potential technology for Kr/Xe gas mixtures due to its much lower energy requirements in comparison to cryogenic distillation, the conventional separation method for such mixtures. Such a separation is also economically rewarding because Xe is in high demand, as a valuable product for many applications/processes. In this work, we have used Molecular Dynamics (MD) simulations to study the effects of different conditions, i.
View Article and Find Full Text PDFJ Phys Chem B
September 2023
Department of Chemistry and Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong Province, Shantou University, Shantou 515063, Guangdong, China.
Recycling Kr and Xe from used nuclear fuel (UNF) is conducive to regenerating economy and protecting the environment, and it is urgent to screen or design high-performance cutting-edge metal-organic framework (MOF) materials for Kr/Xe adsorption separation. After grand canonical Monte Carlo (GCMC) simulations of Kr/Xe adsorption separation on 11,000 frameworks in CoRE MOFs (2019), the important structure-adsorption property relationship (SAPR) was induced; that is, the porosity (φ) at 0.30-0.
View Article and Find Full Text PDFAdv Sci (Weinh)
July 2023
Guangzhou Key Laboratory for New Energy and Green Catalysis, School of Chemistry and Chemical Engineering, Guangzhou University, Guangzhou, 510006, China.
For gas separation and catalysis by metal-organic frameworks (MOFs), gas diffusion has a substantial impact on the process' overall rate, so it is necessary to determine the molecular diffusion behavior within the MOFs. In this study, an interpretable machine learing (ML) model, light gradient boosting machine (LGBM), is trained to predict the molecular diffusivity and selectivity of 9 gases (Kr, Xe, CH , N , H S, O , CO , H , and He). For these 9 gases, LGBM displays high accuracy (average R = 0.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!