Yang LZ, Wan QG, Fan WC, Liu RH (1997) 'Study on detonation sensitivity of hydrocarbon-air mixtures.' (Publishing House Ordnance Industry: Beijing 100081) 478-482

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Abstract: This paper describes the detonation reactivity of some hydrocarbon-air mixtures. The! critical energy measurements are made on mixtures of air and butane, naphtha, JC5,1-pentene and 1-hexene in the rectangle shock tube. The critical energy measurements are carried out at I atmosphere initial pressure and 60 degrees C. The experimental results can be used to compare the relative detonation sensitivity of these hydrocarbons. These results are explained using molecular orbital theory of quantum chemistry. Some parameters, including enthalpy of formation, ionization potential, energies of highest occupied molecular orbit (HOMO) and lowest unfilled molecular orbit (LUMO), are calculated using PM3 method.-The hazards of hydrocarbons can be conveniently assessed according to the calculated results of PM3 method.