Decomposition properties of two phase immersion cooling medium C6F12O: A computational study.

[Display omitted] • The C C bonds are the initial decomposition positions of C 6 F 12 O. • Main radicals (CF 3 , CF 2 , CF, F, C and O) and main small molecules (CF 4 , CO and COF 2) are different in distributions and sources. • Pressure (0.1–0.5 MPa) can influence the distributions of radicals and small molecules significantly. Thermal decomposition mechanisms and product distributions of C 6 F 12 O (perfluoro (2-methyl-3-pentanone)) are studied by reactive force field molecular dynamics (ReaxFF-MD) and density functional theory (DFT). C 6 F 12 O decomposes from C C bonds because they have lower reaction energies than C O and C F bonds. Endothermic and exothermic reactions exist in the decomposition process of C 6 F 12 O. The decomposition products are radicals and small molecules. Distributions of main radicals (like CF 3 , CF 2 , CF, F, C and O radicals) and main small molecules (CF 4 , CO and COF 2 molecules) can be influenced by pressure. This study provides new insights for C 6 F 12 O application in two phase immersion cooling transformer. [ABSTRACT FROM AUTHOR]