Modeling DME addition effects to fuel on PAH and soot in laminar coflow ethylene/air diffusion flames using two PAH mechanisms

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Proceedings titleCombustion Science and Technology
ConferenceSeventh Mediterranean Combustion Symposium, Sept. 11-15, 2011, Chia Laguana, Sardinia, Italy
Pages966979; # of pages: 14
Subjectbimethyl ether addition; laminar diffusion flame; Soot and PAH formation; synergistic effect
AbstractEffects of dimethyl ether (DME) addition to fuel on polycyclic aromatic hydrocarbons (PAH) and soot formation in laminar coflow ethylene/air diffusion flames were revisited numerically. Calculations were conducted using two gas-phase reaction mechanisms with PAH formation and growth: one is the C2 chemistry of the Appel, Bockhorn, and Frenklach (ABF) mechanism with PAH growth up to A4 (pyrene); the other is also a C2 chemistrymechanism newly developed at the German Space Center (DLR) with PAH growth up to A5 (corannulene). Soot was modeled based on the assumptions that soot inception is due to the collision of two pyrene molecules, and soot surface growth and oxidation follow a hydrogen abstraction carbon addition (HACA) sequence. The DLR mechanism predicted much higher concentrations of pyrene than the ABF mechanism. A much smaller value of α in the surface growth model associated with the DLR mechanism must be used to predict the correct peak soot volume fraction. Both reaction mechanisms are capable of predicting the synergistic effect of DME addition to fuel on PAH formation. The locations of high PAH concentrations predicted by the DLR mechanism are in much better agreement with available experimental observations. A weak synergistic effect of DME addition on soot formation was predicted by the ABF mechanism. The DLR mechanism failed to predict the synergistic effect on soot. The likely causes for such a failure and the implications for future research on soot inception and surface growth were discussed.
Publication date
PublisherTaylor and Francis
AffiliationNRC Institute for Chemical Process and Environmental Technology; National Research Council Canada
Peer reviewedYes
NRC number53063
NPARC number21022827
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Record identifier2958d67e-04e4-4fc2-83e7-6e94594c3e4f
Record created2012-11-23
Record modified2016-05-09
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