Method d'estimation des limites d'inflammabilite

We have employed the criteria defined by the CHETAH (ASTM) program to predict the lower and the upper flammability limits of various organic compounds. The results obtained for molecules containing carbon, hydrogen, oxygen and nitrogen are, in most cases, in good agreement with experimental values. The difficulties encountered when the molecule contains a heteroatom can be overcome by knowledge of the stoichiometric conditions of the combustion reactions.