Dataset Information

Theoretical Study on Adsorption Behavior of SF₆ Decomposition Components on Mg-MOF-74.

ABSTRACT: SF₆ gas is an arc extinguishing medium that is widely used in gas insulated switchgear (GIS). When insulation failure occurs in GIS, it leads to the decomposition of SF₆ in partial discharge (PD) and other environments. The detection of the main decomposition components of SF₆ is an effective method to diagnose the type and degree of discharge fault. In this paper, Mg-MOF-74 is proposed as a gas sensing nanomaterial for detecting the main decomposition components of SF₆. The adsorption of SF₆, CF₄, CS₂, H₂S, SO₂, SO₂F₂ and SOF₂ on Mg-MOF-74 was calculated by Gaussian16 simulation software based on density functional theory. The analysis includes parameters of the adsorption process such as binding energy, charge transfer, and adsorption distance, as well as the change in bond length, bond angle, density of states, and frontier orbital of the gas molecules. The results show that Mg-MOF-74 has different degrees of adsorption for seven gases, and chemical adsorption will lead to changes in the conductivity of the system; therefore, it can be used as a gas sensing material for the preparation of SF6 decomposition component gas sensors.

SUBMITTER: Lei T

PROVIDER: S-EPMC10254539 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature

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Theoretical Study on Adsorption Behavior of SF6 Decomposition Components on Mg-MOF-74.

Lei Tianxiang T Fan Xiaozhou X Lv Fangcheng F Jiang Bowen B

Nanomaterials (Basel, Switzerland) 20230523 11

SF6 gas is an arc extinguishing medium that is widely used in gas insulated switchgear (GIS). When insulation failure occurs in GIS, it leads to the decomposition of SF6 in partial discharge (PD) and other environments. The detection of the main decomposition components of SF6 is an effective method to diagnose the type and degree of discharge fault. In this paper, Mg-MOF-74 is proposed as a gas sensing nanomaterial for detecting the main decomposition components ...[more]

PMID: 37299608

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Project description:A magnesium-based metal-organic framework (Mg-MOF-74) exhibits excellent CO2 adsorption under ambient conditions. However, the photostability of Mg-MOF-74 for CO2 adsorption is poor. In this study, Mg x Cu1-x -MOF-74 was synthesized by using a facile "one-pot" method. Furthermore, the effects of synthesis conditions on the CO2 adsorption capacity were investigated comprehensively. X-ray diffraction, Fourier transform infrared, scanning electron microscopy, thermo gravimetric analysis, inductively coupled plasma atomic emission spectroscopy, ultraviolet-visible spectroscopy and photoluminescence spectroscopy, and CO2 static adsorption-desorption techniques were used to characterize the structures, morphology, and physicochemical properties of Mg x Cu1-x -MOF-74. CO2 uptake of Mg x Cu1-x -MOF-74 under visible light illumination was measured by the CO2 static adsorption test combined with the Xe lamp. The results revealed that Mg x Cu1-x -MOF-74 exhibited excellent photocatalytic activity. Furthermore, the CO2 adsorption capacity of Mg x Cu1-x -MOF-74 was excellent at a synthesis temperature and time of 398 K and 24 h in dimethylformamide (DMF)-EtOH-MeOH mixing solvents, respectively. Mg x Cu1-x -MOF-74 retained a crystal structure similar to that of the corresponding monometallic MOF-74, and its CO2 uptake under visible light was superior to that of the corresponding monometallic MOF-74. Particularly, the CO2 uptake of Mg0.4Cu0.6-MOF-74 under Xe lamp illumination for 24 h was the highest, up to 3.52 mmol·g-1, which was 1.18 and 2.09 times higher than that of Mg- and Cu-MOF-74, respectively. The yield of the photocatalytic reduction of CO2 to CO was 49.44 μmol·gcat -1 over Mg0.4Cu0.6-MOF-74 under visible light for 8 h. Mg2+ and Cu2+ functioned as open alkali metal that could adsorb and activate CO2. The synergistic effect between Mg and Cu metal strengthened Mg x Cu1-x -MOF-74 photostability for CO2 adsorption and broadened the scope of its photocatalytic application. The "bimetallic" strategy exhibits considerable potential for use in MOF-based semiconductor composites and provides a feasible method for catalyst design with remarkable CO2 adsorption capacity and photocatalytic activity.

Dataset Information

Theoretical Study on Adsorption Behavior of SF₆ Decomposition Components on Mg-MOF-74.

Publications

Theoretical Study on Adsorption Behavior of SF<sub>6</sub> Decomposition Components on Mg-MOF-74.

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