Abstract
Atmospheric degradation mechanisms of CF3CHFCF2OCH2CF2CF3 initiated by OH radical were researched by DFT calculations. Two H-abstraction channels from the –CHF– and –CH2– groups were found and the latter was dominated pathway because of its lower barrier. The calculated CVT/SCT rate constants agree well with measured values (253–328 K). The results of subsequent reactions show that CF3CHFCF2OC(ONO2)HCF2CF3, CF3CHFCF2OC(OOH)HCF2CF3, CF3CF2COOCF2CHFCF3, and CF3CHFCF2OCHO are the possible products in the presence of NO, O2, and HO2. The GWP100 of CF3CHFCF2OCH2CF2CF3 was estimated to be 365.68, showing that its contribution to greenhouse effect cannot be overlooked.
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