The use of sulfur hexafluoride (SF6) is prevalent in high-voltage electrical equipment

due to its excellent insulation properties and arc extinguishing capabilities. However

SF6 has been identified as the most significant greenhouse gas

which has led to the exploration of environmentally friendly alternatives. Based on materials genome engineering

this paper identifies potential replacement gases for SF6. The approach involved screening and designing more than 1500 candidate gases using a skeleton plus group high-throughput molecular design method. The molecular liquefaction temperature

global warming potential

and dielectric strength are calculated and screened successively by using machine learning and quantum chemistry methods. This process yields about 10 potential replacement gases. It is further found that the prediction results of bis (trifluoromethyl) sulfide (CF3SCF3) gas exhibit excellent overall performance

with a dielectric strength approximately 1.87 times that of SF6

a boiling point of about -22 ℃

and a GWP of approximately 2.8. On this basis

a series of experimental studies are conducted to investigate the insulation properties of CF3SCF3 gas. The results show that the dielectric strength of CF3SCF3 gas is approximately 1.7 times that of SF6. The results indicate that CF3SCF3 gas has the potential to replace SF6 in engineering applications from the perspective of the insulation performance. Conversely

it offers a novel high-throughput approach for the continuous advancement of molecular design for environmentally benign insulating gases.