a Department of Energy, Environmental, and Chemical Engineering, Washington University in St. Louis, One Brookings Drive, St. Louis, MO 63130, United States b Parks College, Saint Louis University, St. Louis, MO 63103, United States
Abstract:
A detailed computational study was performed to understand the effects of the flame structure on the formation and destruction of soot precursors during ethylene combustion. Using the USC Mech Version II mechanism the contributions of different pathways to the formation of benzene and phenyl were determined in a wide domain of Zst values via a reverse-pathway analysis. It was shown that for conventional ethylene-air flames two sequential reversible reactions play primary roles in the propargyl (C3H3) chemistry, namely