Lumping procedures in detailed kinetic modeling of gasification, pyrolysis, partial oxidation and combustion of hydrocarbon mixtures

Oxidation of Fuels in the Cool Flame Regime for Combustion and Reforming for Fuel Cells.

“…The brimched alkane structure of iso-octane and its higher molecular weight might be reasons for the difference of behavior. Dagaut et al [9] rationalized it in terms of stnicture-reactivity relationship at low temperahires and presented the major steps (reactions 16-25) of the general mechanism for alkanes, which has also been described by nnmerous other authors [13,14,42,711.…”

“…The impact of temperatiire on the changes in the reaction path is clearly shown in Fig. 4 where the estimated selectivity of each reaction step is indicated from the lumped mechanism [14]. At high temperatnre, betadecomposition reactions of alkyl radicals prevail over the oxygen addition reactions.…”

“…Indeed, numerous shidics have been carried ont on the oxidation and conversion of major (single component) reference fuels, such as n-heptane [10,14], iso-octane [lo] and n-hexadecane (cetane) [151. There is some study of mixhires of two single components, for example n-heptane and iso-octane [11] as surrogate to the multi-component and complex fnels used in internal combnstion engines.…”

“…% at 750 K before rising again with increasing temperatnre ( [14] anticipate that low and high temperatnre mechanisms of the oxidation process can be organized into a comprehensive kinetic scheme able to simulate the oxidation of natural 21 gas, commercial gasoline and jet-fuels. In view of the cited promising applications of the cool flame, the German group at Aachcn [7,53,62] conducted a detailed experimental procedure at the cool flame regime to partially oxidize numerous fiiels with initial boiling temperahire range of 231-830 K.…”

“…Favored by the vertiginous progress in computing systems, there is an appreciable extension of modeling capabilities, and thns, abundant literature on chemical kinetic models has emerged [14,82,83]. Further, the major reaction products of fuel oxidation that have an impact on engine knock and ignition delay time were determined [9,13,71].…”