Experimental and Detailed Kinetic Modeling Study of 1-Hexanol Oxidation in a Pressurized Jet-Stirred Reactor and a Combustion Bomb

Abstract

1-Hexanol is among the promising renewable long-chain alcohols usable as an alternative to petrol-derived gasoline and diesel fuels. To better understand the combustion characteristics of 1-hexanol, new experimental data for the oxidation and combustion of 1-hexanol were obtained. Stable species concentration profiles were measured in a jet stirred reactor (JSR) at 10 atm over a range of equivalence ratios and temperatures. Burning velocities of 1-hexanol/air mixtures were measured at 1−10 bar and 423 K, over a range of equivalence ratios. The effect of total pressure on flame speed was determined. The oxidation of 1-hexanol in these experimental conditions was modeled using an extended detailed chemical kinetic reaction mechanism (2977 reactions involving 600 species). The proposed mechanism shows good agreement with the present experimental data. Reaction path analyses and sensitivity analyses were performed to interpret the results.

Experimental and kinetic modeling study of 1-hexanol combustion in an opposed-flow diffusion flame

“…New experimental results are presented for the oxidation of 1-hexanol, a high molecular weight alcohol, in an opposed-flow diffusion flame at 0.101 MPa. The results will also be used to validate the chemical kinetic mechanism proposed by Togbé et al [12].…”

“…However, ethanol's simple alcohol structure and its ability to be miscible with water may cause mixing stability and storage issues. Larger alcohols, such as 1-hexanol, have low miscibility with water, as miscibility decreases with an increase in carbon atoms, and would have better mixing with petroleum-based fuels given their longer alkyl carbon chains [12].…”

“…However, Togbé et al studied the combustion of 1-hexanol in a jet stirred reactor (JSR) and a combustion bomb, and proposed a chemical kinetic mechanism [12]. The chemical kinetic mechanism was based on previously proposed mechanisms for the oxidation of methanol, ethanol, 1-butanol, and 1-pentanol at 1 -10 atm in JSR and flames [15,16,23,34,35].…”

“…The chemical kinetic mechanism developed here is based on a previously proposed mechanism for 1-hexanol oxidation in a premixed jet-stirred reactor (JSR) and a combustion bomb [12]. The data files for the simulation were obtained from Togbé et al [12].…”

“…The thermochemical dataset that is used in this study is from Togbé et al [12], which was initially used to study 1-hexanol oxidation in a JSR and a combustion bomb.…”