Experimental and modeling study of benzaldehyde oxidation

Sylvain Namysl,Matteo Pelucchi,L Pratali Maffei,Olivier Herbinet,Alessandro Stagni,Tiziano Faravelli,Frédérique Battin-Leclerc

doi:10.1016/j.combustflame.2019.09.024

Abstract

Benzaldehyde is an aromatic aldehyde commonly considered in bio-oil surrogate formulation, and an important intermediate in the oxidation of other aromatic reference fuels such as toluene. However, its oxidation has never been previously investigated experimentally and no product formation profiles were reported in the very limited pyrolysis studies available in the literature. In this study, the gas-phase oxidation of benzaldehyde was investigated in a jet-stirred reactor. 48 species were detected using gas chromatography, mainly CO, CO2 and phenol. The important formation of CO and phenol indicates a rapid formation of phenyl radicals. This was confirmed by a kinetic analysis performed using the current version of the CRECK kinetic model, in which the reactions of phenyl radicals and oxygenated aromatic compounds have been updated.

Highlights

Benzaldehyde is the lightest aromatic aldehyde and is one of the major intermediates in the combustion and atmospheric oxidation of benzyl radical [1]
The aim of this study is to propose a first detailed set of data for the oxidation of benzaldehyde in a jet-stirred reactor (JSR) coupled with gas chromatographs (GCs)
Benzaldehyde oxidation was investigated for the first time

Summary

Introduction

Benzaldehyde is the lightest aromatic aldehyde and is one of the major intermediates in the combustion and atmospheric oxidation of benzyl radical [1]. For this reason, its formation and consumption pathways are accounted for in detailed kinetic models for the combustion of toluene and heavier aromatic compounds The purpose of this study is to better assess the combustion kinetics of benzaldehyde (see Figure 1b), and to propose a first overview towards an improved understanding of the oxidation of oxygenated aromatics with multiple substitutions of interest as bio-oil surrogates (e.g. vanillin) [7]

Objectives

Methods

Results

Conclusion