Peroxide Conditions Modeling for the Combustion Occurrence

Abstract

Abstract. The oscillations presence of the substance condensed state parameters and the n-alkanes combustion process was analyzed. It is shown that the smallest substance structural unit that describes such features is a dimer, a hexamer for methane, and a trimer for ethane. The cluster "equivalent length" based on the framework number atoms in the continuous chain and without taking into account cluster side parts was used as a modulating parameter. Attention was drawn to the dependences similarity for water solubility and the autoignition temperature of n-alkanes. It is proposed to take into account clustering involving water molecules for the water solubility, and oxygen molecules in the peroxide groups form that form similar clusters for combustion processes. It is accepted that the solubility limit is determined by the condition of all water molecules aggregation by the substance, and in combustible mixtures the substance aggregates all available oxygen in the air. Corresponding peroxide proportions allow the burning limits, detonation limits, stoichiometric concentration and cold flame limit to be described. An approximation formula has been developed that describes the general dependence of the n-alkanes and 2-methylalkanes autoignition temperature based on values of the cluster length and the monomer molecular weight.