Abstract
The decomposition gas of SF6 circuit breaker adsorbed on MOF-505 analogue had been analyzed and studied in this paper by using the first principles of density functional theory (DFT) to analyze adsorption mechanism. The adsorption structures of organic ligands and metal sites were established and optimized. Through analyzing the adsorption energy, adsorption distance difference, charge transfer, density of states, Charge density difference and electron localization function, the results show that organic ligands and metal sites have excellent adsorption effect on H2S and SO2, belonging to chemical adsorbent, and the adsorption capacity is far greater than that of SF6. The MOF-505 analogue will be a potential adsorbent for the fault recovery of SF6 circuit breaker.
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