SF6 decomposition component simulation analysis method based on carbon nanotubes and a readable storage medium
A technology for carbon nanotubes and decomposing components, which is applied in the field of gas-insulated combined electrical appliances, and can solve problems such as loss and insulation problems of GIS equipment.
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[0028] The first embodiment of the present invention proposes a carbon nanotube-based SF6 decomposition component simulation analysis method, such as figure 1 As shown, the method includes the following steps:
[0029] Construct the corresponding molecular structure according to the molecular formula of sulfur hexafluoride gas decomposition products and carbon nanotubes;
[0030] Select the density functional theory DFT function and the corresponding basis set;
[0031] Optimizing the molecular structure according to the selected DFT function and basis set;
[0032] Adsorption simulation is performed according to the optimized molecular structure.
[0033] Optionally, construct corresponding molecular structures according to the molecular formulas of sulfur hexafluoride gas decomposition products and carbon nanotubes, including:
[0034] According to the molecular formula of sulfur hexafluoride gas decomposition products and carbon nanotubes, the corresponding molecular str...
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