![]() ![]() With the intention of testing the robustness of the solution methodology on partially-premixed systems, this work used the same algorithm as that in the study of Dworkin et al. ![]() Recently, an improved chemical mechanism of PAH growth was developed and tested in soot computations for a laminar co-flow non-premixed ethylene–air diffusion flame. The discrete Galerkin technique was applied for direct counting of the mean number of active sites formed on the surface of soot precursors and soot particles in reactions of activation, deactivation, and surface growth. Both hydrocarbons have the same number of carbon atoms but different structures, which causes different behavior of the systems. ![]() The model describes the main characteristics of soot formation in pyrolysis and oxidation of toluene and n-heptane oxidation under conditions typical of shock tube experiments. The gas-phase kinetic scheme was validated against the experimentally measured concentration profiles of the main gas-phase species formed during toluene pyrolysis and H and OH radicals during benzene and phenol pyrolysis and toluene oxidation behind reflected shock waves. The model is based on the comprehensive kinetic model of PAH formation and growth, on the new concepts of soot particle nucleation and the traditional H-abstraction/C2H2-addition (HACA) route of PAH and soot particles surface growth. A new detailed kinetic model of soot formation in shock tube pyrolysis and oxidation of aliphatic and aromatic hydrocarbons is proposed. ![]()
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