Formation of aromatics in rich methane flames doped by unsaturated compounds

TL;DR

This study investigates how unsaturated hydrocarbons like allene, propyne, and cyclopentene influence aromatic formation in rich methane flames, proposing a new oxidation mechanism and analyzing reaction pathways.

Contribution

It introduces a novel oxidation mechanism for specific unsaturated hydrocarbons and compares aromatic formation pathways in methane flames doped with these compounds.

Findings

Identification of main aromatic formation pathways

Comparison of additive effects on benzene production

Proposal of a new oxidation mechanism for unsaturated hydrocarbons

Abstract

In order to better understand the importance of the different channels leading to the first aromatic ring, we have investigated, the structure of a laminar rich premixed methane flame doped with several unsaturated hydrocarbons: allene and propyne, as they are precursors of propargyl radicals, which are well known as having an important role in forming benzene, 1,3-butadiene, to put in evidence a possible production of benzene due to reactions of C4 compounds, and, finally, cyclopentene, which is a source of cyclopentadienyl methylene radicals which are supposed to easily isomerizes to give benzene. A ratio additive / CH4 of 16 % and an equivalence ratio of 1.79 have been used. These flames have been stabilized on a burner at a pressure of 6.7 kPa using argon as dilutant. A new mechanism for the oxidation of allene, propyne, 1,3 butadiene and cyclopentene has been proposed including the formation and decomposition of benzene and toluene. The main reaction pathways of formation of aromatics have been derived from flow rate analyses and have been compared for the three types of additives.