Efficient Xe selective separation from Xe/Kr/N<sub>2</sub> mixtures over a microporous CALF-20 framework

Wei, Yi; Qi, Fengshi; Li, Yunhe; Min, Xiubo; Wang, Qi; Hu, Jiangliang; Sun, Tianjun

doi:10.1039/d2ra02768b

Cited by 19 publications

(5 citation statements)

References 38 publications

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“…2b). Notably, this selectivity range is among those of the highest ranked MOF materials, demonstrating the high selectivity of Xe over Kr 10,20,33,34 (see comparison results in Table S2 in the ESI †). Moreover, with increasing pressure, the adsorption selectivity exhibits a slightly increasing tendency.…”

Section: Paper Dalton Transactionsmentioning

confidence: 89%

Contracting pore channels of a magnesium-based metal–organic framework by decorating methyl groups for effective Xe/Kr separation

Li,

Zhang,

et al. 2024

Dalton Trans.

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Section: Paper Dalton Transactionsmentioning

confidence: 89%

Contracting pore channels of a magnesium-based metal–organic framework by decorating methyl groups for effective Xe/Kr separation

Li,

Zhang,

et al. 2024

Dalton Trans.

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“…Comparison of the adsorption capacity for Xe on Ag-ZeoFlair800 (this study) and several MOFs at 10 kPa and 293 or 298 K. Xenon uptake capacities of MOFs are from refs − .…”

Section: Discussionmentioning

confidence: 99%

“…These adsorption sites confer upon Ag@MOR an outstanding xenon adsorption capacity for xenon pressures between 10 –1 and 10 1 kPa. The comparison of the xenon uptake at 10 kPa and 298 K (Figure ) between Ag@MOR ZeoFlair800 and the most frequently used MOFs for xenon capture − reveals that the silver-doped mordenite surpasses all of them.…”

Section: Discussionmentioning

confidence: 99%

Toward Optimal Xenon Adsorption Capacity at Low Pressure on Silver-Exchanged Zeolites

Courtney

Millet

Couchaux

et al. 2023

Ind. Eng. Chem. Res.

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Silver-exchanged zeolites are the most efficient materials for xenon adsorption at pressures in the ppm levels. It is widely accepted that silver moieties constitute the active phase in the adsorption. Among them, ZSM-5 appears to be the most efficient topology owing to its pore size and geometry. In this study, we fully exchanged seven different sodium-form zeolites (four ZSM-5, two BEA, and one MOR) to silver-form, characterized them, and compared their xenon adsorption capacities. Modeling the isotherms with a double-site Sips model allowed a quantitative comparison of their performances. The results confirmed a linear trend between the concentration of strong adsorption sites and the silver amount contained in the ZSM-5 and BEA zeolites. At the same time, it revealed that silver-exchanged MOR deviates from that trend and generates xenon adsorption sites in a higher-pressure range. Moreover, the 27Al NMR measurements displayed a clear linear correlation between the amount of strong, silver-based, adsorption sites and the amount of exchangeable, framework aluminum-based, sites. Overall, this study revealed that an increase in the silver content leads to an increase in strong adsorption sites in a pressure range that depends on the zeolite structure. In addition, the tetra-coordination of aluminum must be checked to guarantee a high silver loading in pentasil-based zeolites.

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“…We employed the Pearson product-moment correlation coefficient (PPMCC) as a criterion for curve fitting. PPMCC is defined by the equation (9) where C ij represents the covariance of the original and fitted data, and C ii and C jj represent the standard deviation of the original and fitted data. The curve fitting was implemented based on the open-source Python package SciPy 52 module curve fit.…”

Section: ■ Introductionmentioning

confidence: 99%

“…An alternative to cryogenic distillation is adsorption-based separation, which could help reduce the overall cost of separation. The performance of adsorption-based separation is critically dependent on the adsorbent materials used for the separation; as such, many recent studies have focused on synthesizing and evaluating different adsorbent materials, such as carbon-based materials, − zeolites, metal–organic frameworks (MOFs), − and covalent–organic frameworks (COFs), for Xe/Kr separation applications.…”

Section: Introductionmentioning

confidence: 99%

High-Throughput, Multiscale Computational Screening of Metal–Organic Frameworks for Xe/Kr Separation with Machine-Learned Parameters

Zhao,

Chen,

Chung

2023

Ind. Eng. Chem. Res.

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Accurate evaluation of adsorbent materials’ performance requires carrying out process simulations that take an analytical isotherm model as an input. In this work, we report a machine learning (ML) approach to approximate the saturation loading of nanoporous materials, an essential parameter for modeling the adsorption-based process simulation. Large-scale grand canonical Monte Carlo (GCMC) simulations were carried out to compute the single-component isotherms for Xe and Kr from the Computation-Ready Experimental Metal–Organic Framework (CoRE MOF) Database 2019. The generated data were used to fit the Langmuir model equation to obtain the saturation loading parameters, which were used as a basis to train several ML models. The performance of trained ML models was then compared with the pore volume-based approach, typically used in the literature, to approximate the saturation loading of the adsorbent material. Ideal vacuum swing adsorption (IVSA) simulations were carried out to screen a large number of MOFs. We found that the ML model better estimates the saturation loading from the curve fitting compared to the pore volume approach. Finally, we carried out high-fidelity vacuum swing adsorption simulations on 15 Xe-selective MOFs. While the IVSA approach provides quantitative information about the process performance metrics, we found that the commonly used performance metrics, such as Xe/Kr IAST selectivity, work as well as the shortcut methods (IVSA simulation) in ranking the adsorbent materials for Xe/Kr separation.

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Efficient Xe selective separation from Xe/Kr/N₂ mixtures over a microporous CALF-20 framework

Abstract: Factoring in the Xe uptake, selectivity and Henry's constant, hydrophobic CALF-20 exceeded most MOFs in Xe/Kr/N2 mixture separation; in particular, high-temperature, gaseous water and acid solution have no negative effects on Xe adsorption.

Cited by 19 publications

References 38 publications

Contracting pore channels of a magnesium-based metal–organic framework by decorating methyl groups for effective Xe/Kr separation

Contracting pore channels of a magnesium-based metal–organic framework by decorating methyl groups for effective Xe/Kr separation

Toward Optimal Xenon Adsorption Capacity at Low Pressure on Silver-Exchanged Zeolites

High-Throughput, Multiscale Computational Screening of Metal–Organic Frameworks for Xe/Kr Separation with Machine-Learned Parameters

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Efficient Xe selective separation from Xe/Kr/N2 mixtures over a microporous CALF-20 framework

Abstract: Factoring in the Xe uptake, selectivity and Henry's constant, hydrophobic CALF-20 exceeded most MOFs in Xe/Kr/N2 mixture separation; in particular, high-temperature, gaseous water and acid solution have no negative effects on Xe adsorption.

Cited by 19 publications

References 38 publications

Contracting pore channels of a magnesium-based metal–organic framework by decorating methyl groups for effective Xe/Kr separation

Contracting pore channels of a magnesium-based metal–organic framework by decorating methyl groups for effective Xe/Kr separation

Toward Optimal Xenon Adsorption Capacity at Low Pressure on Silver-Exchanged Zeolites

High-Throughput, Multiscale Computational Screening of Metal–Organic Frameworks for Xe/Kr Separation with Machine-Learned Parameters

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Efficient Xe selective separation from Xe/Kr/N₂ mixtures over a microporous CALF-20 framework