An experimental study on the formation of polycyclic aromatic hydrocarbons in laminar coflow non-premixed methane/air flames doped with four isomeric butanols

Abstract

/npsi/ctrl?lang=en http://nparc.cisti-icist.nrc-cnrc.gc.ca/npsi/ctrl?lang=fr Access and use of this website and the material on it are subject to the Terms and Conditions set forth at http://nparc.cisti-icist.nrc-cnrc.gc.ca/npsi/jsp/nparc_cp.jsp?lang=en NRC Publications Archive Archives des publications du CNRCFor the publisher's version, please access the DOI link below./ Pour consulter la version de l'éditeur, utilisez le lien DOI ci-dessous.http://dx.doi.org/10. 1016/j.proci.2012.05.107 Proceedings of the Combustion Institute, 34, 1, pp. 779-786, 2012-06-23 An experimental study on the formation of polycyclic aromatic hydrocarbons in laminar coflow non-premixed methane/air flames doped with four isomeric butanols Jin, Hanfeng; Wang, Yizun; Zhang, Kuiwen; Guo, Hongsheng; Qi, Fei hydrocarbon species. Meanwhile, tert-butanol doped flame generates the largest quantities of allene and propyne among the four flames and therefore is the sootiest one.

Kinetic modeling study of benzene and PAH formation in laminar methane flames

“…This mechanism consists of 213 species and 1466 reactions, provided in the Supplementary Material in CHEMKIN format, whilst the main reactions are reported in Table 2. As mentioned, this mechanism was validated in previous investigations of laminar flames [50,53,61,64,65]. The aromatic formation submechanism was improved based on our previous investigations [53,56,66], recent theoretical calculations [43,44,51,67] and other aromatic mechanisms [54,57,[68][69][70], mainly including HACA (hydrogen-abstraction acetylene-addition) pathways [39] and the recombination reactions of resonantly stabilized radicals with small flame species [37,53,[68][69][70].…”

“…The uncertainty of the experimental measurements is related to the probe sampling process and the photoionization cross sections (PICS, available in the database of [62]) of flame species. The uncertainties of the measured mole fractions are within ±20% for flame species calculated with cold gas calibration, ±50% for stable flame species with well-known PICSs, and about a factor of 2 for free radicals and the flame species with estimated PICSs [48,61]. Flame temperature profiles along the flame centerline were measured by Pt-6%Rh/Pt-30%Rh thermocouples, 0.1 mm in diameter, coated with Y 2 O 3 -BeO anti-catalytic ceramic to avoid catalytic effects [63].…”

“…The experimental apparatus for the investigation of laminar coflow diffusion flame used in this work was discussed in detail in previous studies [48,61], including a laminar coflow flame burner, a probe sampling system, a time-of-flight mass spectrometer and a synchrotron-based photoionization source. The coflow flames were generated at atmospheric pressure by a burner with a 10-mm-ID (inner diameter) fuel tube located in the center of a 102-mm-ID air tube.…”

“…The flow rates of fuels (CH 4 ), diluent gas (N 2 ), calibration gas (Ar) and air are presented in Table 1 Flame species along the flame centerline were sampled for the successive calculation of their mole fraction profiles. The detailed flame sampling and data evaluation procedures were introduced in detail in [61]. Mole fraction values cannot be measured in the region close to the nozzles, due to the shape limit of the sampling probe.…”

“…8d), because of the lack of OH oxidizing radical in the pyrolytic centerline of the flame. (R34) is also the dominant formation pathway of propyne in coflow diffusion flames [48,61,65]. Propyne can isomerize to allene, while finally propargyl radical is formed through the decomposition of C 3 H 4 isomers.…”