Wang Q., He G., Tang C., Long Y., Zhu S., Li Y., 2017, The Density Functional Theory Research on The Raman Spectra of SF6 Decomposition Gas Products
, Chemical Engineering Transactions, 59, 1003-1008.
When partial discharge and overheating occurred inside SF6 insulated electrical equipment, the status of SF6 electrical equipment can be monitored and the development trend of insulation defect inside equipment can be expected through inspecting dissolved products. Raman spectra have more advantages compare with traditional SF6 decomposition products inspection technique. Optimization of geometrical configuration of gas products and calculation of Raman spectra frequency are conducted in this research on the level of 6-31G (2df, p) basis set by utilizing The Density Functional Theory (DFT) and B3LYP method; and calculated shift is compared with actually measured shift of NIST. In addition, the relativity of calculated value and actually measured value of National Institute of Standards and Technology (NIST) is researched by utilizing correlation coefficient R2 through linear regression. The result proves reliability of calculating Raman spectra of SF6 decomposition gas product by DFT method and feasibility of using Raman spectra to qualitatively identify SF6 decomposition gas products.
