Novel Application of Topological Indices. 2. Prediction of the Threshold Soot Index for Hydrocarbon Fuels

摘要

The propensity of hydrocarbons to form soot in a diffusion flame is correlated here for the firslt time against various topological indices. Two of the indices, the hydrogen deficiency index and the Balaban distance sum connectivity index, were found to be especially valuable for correlational purposes. For a total of 98 hydrocarbon fuel moelcules, of differing types, regression analyuses yielded good correlations between the threshold soot indices (TSIs) for diffusion flames sand these two indices. An equation which can be used to estimate TSI values in fuel molecules is presented.