Abstract
A detailed kinetic model has been developed and used to simulate aromatic growth in premixed benzene and ethylene flames. The model considers the role of resonantly stabilized radicals in the growth of aromatic species, in addition to the hydrogen abstraction carbon addition (HACA) mechanism, which involves hydrogen abstraction to activate aromatics followed by subsequent acetylene addition. Model results show that the self-combination of resonantly stabilized radicalsin particular, the combination of cyclopentadienyl radicalsis the controlling pathway for the aromatic-ring growth. The kinetic model reproduces the experimental trends of these compounds already below the flame front and their decrease within the flame front, which has been observed experimentally but never predicted numerically. The reaction mechanism has been used to identify the different behaviors of aromatic growth in ethylene and benzene flames. Benzene formation is the rate-limiting step for aromatic growth in ethylene flames. C6H6 i...
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