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

Abstract

Thermal decomposition mechanisms and product distributions of C6F12O (perfluoro (2-methyl-3-pentanone)) are studied by reactive force field molecular dynamics (ReaxFF-MD) and density functional theory (DFT). C6F12O decomposes from CC bonds because they have lower reaction energies than CO and CF bonds. Endothermic and exothermic reactions exist in the decomposition process of C6F12O. The decomposition products are radicals and small molecules. Distributions of main radicals (like CF3, CF2, CF, F, C and O radicals) and main small molecules (CF4, CO and COF2 molecules) can be influenced by pressure. This study provides new insights for C6F12O application in two phase immersion cooling transformer.