Estimating the Heats of Formation of Hydrocarbon Radicals by a Semiempirical Calculation
نویسندگان
چکیده
Hydrocarhon free radicals play a very important role in many thermalchemistry processes. including combustion. petroleum and coal coking, coal liquefaction and pyrolysis. oil shale retorting, thermal stability of fuels as well as free rddiciij polymerization. To obtain heats of formation (AH",) of the radicals is very essential for the fundamental understanding of thermal chemistry and mechanism of the free radical process. Many experimcntal methods have k e n developed to determine AH", of free radicals. including halogenation kinetics, polyani relation. chemical activation, equilibrium study, electron-impact measurement, radical buffer, appearance energy, photoacoustic calorimetry, electrochemistry etc.11-31. However. the experimental determination of AH", of free radicals is complicated. difficult and expensive due to the instability
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