Self-Recovery Pathways of C5F10O After Over Thermal Decomposition

Self-recovery ability after over thermal fault decomposition is a fundamental factor determining the stability of environmentally friendly insulation medium C
₅
F
₁₀
O in engineering applications. This article proposes 42 possible reaction pathways for the decomposition products of C
₅
F
₁₀
O to reform C
₅
F
₁₀
O after overheating fault based on its thermal decomposition and industrial synthesis pathways. Dominant reaction paths and reactants in the recovery process at temperature of 298–1000 K are theoretically analyzed according to the chemical equilibrium constant and rate constant, which were calculated based on the density functional theory using the thermodynamics properties of the reactions such as activation energy and enthalpy. According to the results, at low temperatures, 26 of the 42 proposed reactions have the equilibrium constants greater than 1, and the rate constants of them are much higher than that of the decomposition reactions, proving that decomposed C
₅
F
₁₀
O can be partly recovered after the overheating fault is removed. Among the recovery pathways, reactions with primary or secondary decomposition products of C
₅
F
₁₀
O as the reactants hold higher equilibrium constants and are the dominant reactions for the recovery process. R11, R8, and R5 hold the largest rate constants in similar reactions and contribute the most to the restoration of C
₅
F
₁₀
O, that is, (CF
₃
)
₂
CFCO
$\cdot $
, (CF
₃
)
₂
CFCOF
$\cdot $
, and CF
₃
OCCF(CF
₃
)
₂
are the dominant reactants for the formation of C
₅
F
₁₀
O. And the synthesis reactions R22, R17, R7, and R15 of these reactants are also necessary for the self-recovery process of C
₅
F
₁₀
O.