Insight into the decomposition mechanism of C6F12O-CO2 gas mixture.

Graphical abstract Highlights • Decomposition of C 6 F 12 O-CO 2 mainly produces CF 4 , C 2 F 6 , C 3 F 8 , C 3 F 6 and C 5 F 12. • The main decomposition particles produced are CF 3 , CF 2 , CF, C 3 F 7 , CO, COF 2 , C 5 F 9 O and F. • C 3 F 7 COCF 2 and C 3 F 7 COCF 2 are the main intermediates produced by C 6 F 12 O. • Results provide guidance for clarifying decomposition characteristics of C 6 F 12 O/CO 2. Abstract C 6 F 12 O (1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone) is an environmental friendly gas insulating medium with the potential to replace the strong greenhouse gas SF 6 for medium and low pressure gas insulated equipment. In this paper, the decomposition mechanism of C 6 F 12 O-CO 2 gas mixture under different temperature and pressure conditions were explored based on the ReaxFF molecular dynamics. The thermal decomposition characteristics of C 6 F 12 O-CO 2 gas mixture were also tested. We found that the main decomposition particles of C 6 F 12 O-CO 2 gas mixture incudes CF 3 , CF 2 , CF, C 3 F 7 , CO, COF 2 , C 5 F 9 O and F, and the content of CF 3 , CF 2 , CF, C 3 F 7 , CO and F is high. The thermal decomposition of C 6 F 12 O-CO 2 gas mixture mainly produces CF 4 , C 2 F 6 , C 3 F 8 , C 3 F 6 and C 5 F 12 , among which the content of C 2 F 6 and C 3 F 6 are the highest, followed by C 3 F 8 and the content of CF 4 is the lowest. Relevant results not only reveal the decomposition mechanism of C 6 F 12 O-CO 2 gas mixture comprehensively, but also provide an important reference for exploring the decomposition characteristics and engineering applications of C 6 F 12 O-CO 2 gas mixture. [ABSTRACT FROM AUTHOR]