1. Self-Recovery Pathways of C 5 F 10 O After Over Thermal Decomposition.
- Author
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She, Congdong, Zeng, Fuping, Dai, Liangjun, Tang, Bowen, Yao, Qiang, Li, Long, and Tang, Ju
- Subjects
CHEMICAL decomposition ,CHEMICAL equilibrium ,DENSITY functional theory ,ACTIVATION energy ,EQUILIBRIUM reactions ,HEAT recovery - Abstract
Self-recovery ability after over thermal fault decomposition is a fundamental factor determining the stability of environmentally friendly insulation medium C5F10O in engineering applications. This article proposes 42 possible reaction pathways for the decomposition products of C5F10O to reform C5F10O 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 C5F10O can be partly recovered after the overheating fault is removed. Among the recovery pathways, reactions with primary or secondary decomposition products of C5F10O 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 C5F10O, that is, (CF3)2CFCO $\cdot $ , (CF3)2CFCOF $\cdot $ , and CF3OCCF(CF3)2 are the dominant reactants for the formation of C5F10O. And the synthesis reactions R22, R17, R7, and R15 of these reactants are also necessary for the self-recovery process of C5F10O. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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