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关于SF₆分解元件在Mg-MOF-74上吸附行为的理论研究

Tianxiang Lei^1,2, Xiaozhou Fan^1,2, Fangcheng Lv^1,2

¹State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources, North China Electric Power University, Baoding 071003, China.

Nanomaterials (Basel, Switzerland)

|June 10, 2023

概括

-MOF-74作为检测硫六化物 (SF) 分解元件的纳米材料具有前景. 这项研究研究了其对关键SF₆副产品的吸附特性,这对于诊断气体绝缘开关设备故障至关重要.

科学领域:

材料科学材料科学材料科学
化学化学化学
电气工程电气工程

背景情况:

六化硫 (SF₆) 是气体绝缘开关装置 (GIS) 中的关键弧灭介质.
在GIS中绝缘故障会导致SF₆分解,产生危险的副产品.
检测SF₆分解产品对于诊断放电故障和确保设备可靠性至关重要.

研究的目的:

提出并评估Mg-MOF-74作为一种新的气体传感纳米材料.
为了研究Mg-MOF-74对主要SF₆分解成分的吸附特性.
评估Mg-MOF-74在开发用于SF₆监测的气体传感器中的潜力.

主要方法:

使用Gaussian16软件进行密度函数理论 (DFT) 计算.
在Mg-MOF-74上模拟了SF₆及其七种主要分解气体 (CF₄,CS₂,H₂S,SO₂,SO₂F₂,SOF₂) 的吸附过程.
吸附参数的分析,包括结合能量,电荷转移,吸附距离,键长/角度变化,状态密度和边界轨道.

主要成果:

对于分析的七种气体,Mg-MOF-74具有不同程度的吸附性.
计算表明发生化学吸附,导致系统导电性的可检测变化.
独特的吸附行为表明适合选择性气体检测.

结论:

-MOF-74显示出作为SF₆分解元件的气体传感材料的巨大潜力.
该材料经历化学吸附和改变导电性的能力是其传感能力的关键.
这项研究支持为基于SF的电气设备开发先进的气体传感器.

关键词:

MOFs 的使用情况.在SF6分解物种中,气体感应材料的气体感应材料量子化学的原理量子化学的原理

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