Progress in detailed kinetic modeling of the combustion of oxygenated components of biofuels

• Published in: Energy (Oxford) Vol. 43; no. 1; pp. 4 - 18
• Main Authors: Tran, Luc Sy, Sirjean, Baptiste, Glaude, Pierre-Alexandre, Fournet, René, Battin-Leclerc, Frédérique
• Format: Journal Article
• Language: English
• Published: Kidlington Elsevier Ltd 01-07-2012; Elsevier
• Subjects: Alcohol; Applied sciences; Biofuel; Chemical Physics; Combustion; Crude oil; Detailed kinetic models; Energy; Ester; Esters; Ether; Ethers; Exact sciences and technology; Fossil fuels; Fuels; Gas-phase oxidation; Oxygenated; Physics; Reserves; Ester; Alcohol; Biofuel; Detailed kinetic models; Ether; Gas-phase oxidation; Kinetic model; Fossil fuel; Combustion; Oxidation; Substitute; Modeling; Petroleum; alcohol; ether; combustion; furan; ester; gas-phase oxidation; detailed kinetic models; Detailedkinetic models
• ISSN: 0360-5442; 1873-6785
• DOI: 10.1016/j.energy.2011.11.013

Due to growing environmental concerns and diminishing petroleum reserves, a wide range of oxygenated species has been proposed as possible substitutes to fossil fuels: alcohols, methyl esters, acyclic and cyclic ethers. After a short review the major detailed kinetic models already proposed in the literature for the combustion of these molecules, the specific classes of reactions considered for modeling the oxidation of acyclic and cyclic oxygenated molecules respectively, are detailed.
► Review of the major detailed kinetic models already proposed in literature for the combustion of alcohols, methyl esters, acyclic and cyclic ethers. ► Description of the specific classes of reactions considered for modeling the chemistry of the oxidation of acyclic alcohol, ester and ether molecules, respectively. ► Description of the specific classes of reactions considered for modeling the chemistry of the oxidation of saturated and unsaturated cyclic ethers (e.g. tetrahydrofuran, dimethylfuran).