Comprehensive Theoretical and Experimental Studies on the CF3H Fire‐extinguishing Mechanism

In order to clarify the chemical suppression mechanisms of CF₃H, experimental and theoretical studies were conducted respectively in this paper. Firstly, the combustion species in low pressure laminar premixed flat methane flames with CF₃H addition is measured by synchrotron radiation molecular beam mass spectrometry (SR‐MBMS) experimentally. Fire suppression chemistry of CF₃H is investigated by selective detection of combustion radicals and intermediates in experimental process. Secondly, quantum chemistry calculations are performed to calculate the potential energy surfaces (PES) for the CF₃H unimolecular dissociation reaction and reactions of CF₃H with free radical OH and H at the B3LYP/6‐311++G** and QCISD(T)/6‐311++G** levels. Finally, the chemical suppression mechanism of CF₃H was discussed by comparing the theoretical calculation with experimental measurement.