A comprehensive experimental and modeling study of iso-pentanol combustion

作者: S. Mani Sarathy , Sungwoo Park , Bryan W. Weber , Weijing Wang , Peter S. Veloo

DOI: 10.1016/J.COMBUSTFLAME.2013.06.022

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摘要: Abstract Biofuels are considered as potentially attractive alternative fuels that can reduce greenhouse gas and pollutant emissions. iso-Pentanol is one of several next-generation biofuels be used an fuel in combustion engines. In the present study, new experimental data for iso-pentanol shock tube, rapid compression machine, jet stirred reactor, counterflow diffusion flame presented. Shock tube ignition delay times were measured iso-pentanol/air mixtures at three equivalence ratios, temperatures ranging from 819 to 1252 K, nominal pressures near 40 60 bar. Jet reactor experiments reported 5 atm five ratios. Rapid machine was obtained 40 bar, below 800 K. Laminar speed non-premixed extinction strain rates using configuration. A detailed chemical kinetic model oxidation developed including high- low-temperature chemistry a better understanding characteristics higher alcohols. First, bond dissociation energies calculated ab initio methods, proposed rate constants based on previously presented butanol isomers n-pentanol. The validated against existing 1–60 atm, 650–1500 K, ratios 0.25–4.0, covering both premixed environments. method direct relation graph (DRG) with expert knowledge (DRGX) employed eliminate unimportant species reactions mechanism, resulting skeletal mechanism predict flames. addition, reaction path temperature A-factor sensitivity analyses conducted identifying key various conditions.

参考文章(54)
Yi Yang, John E. Dec, Nicolas Dronniou, Blake Simmons, Characteristics of Isopentanol as a Fuel for HCCI Engines SAE International Journal of Fuels and Lubricants. ,vol. 3, pp. 725- 741 ,(2010) , 10.4271/2010-01-2164
Gabriel da Silva, Joseph W. Bozzelli, Long Liang, John T. Farrell, Ethanol Oxidation: Kinetics of the α-Hydroxyethyl Radical + O2 Reaction Journal of Physical Chemistry A. ,vol. 113, pp. 8923- 8933 ,(2009) , 10.1021/JP903210A
Yufei Dong, Adam T. Holley, Mustafa G. Andac, Fokion N. Egolfopoulos, Scott G. Davis, Prankul Middha, Hai Wang, Extinction of premixed H2/air flames: Chemical kinetics and molecular diffusion effects Combustion and Flame. ,vol. 142, pp. 374- 387 ,(2005) , 10.1016/J.COMBUSTFLAME.2005.03.017
Chunsheng Ji, Enoch Dames, Yang L. Wang, Hai Wang, Fokion N. Egolfopoulos, Propagation and extinction of premixed C5–C12 n-alkane flames Combustion and Flame. ,vol. 157, pp. 277- 287 ,(2010) , 10.1016/J.COMBUSTFLAME.2009.06.011
Haowei Wang, Matthew A. Oehlschlaeger, Autoignition studies of conventional and Fischer–Tropsch jet fuels Fuel. ,vol. 98, pp. 249- 258 ,(2012) , 10.1016/J.FUEL.2012.03.041
S Gaïl, SM Sarathy, MJ Thomson, P Diévart, P Dagaut, None, Experimental and chemical kinetic modeling study of small methyl esters oxidation: Methyl (E)-2-butenoate and methyl butanoate Combustion and Flame. ,vol. 155, pp. 635- 650 ,(2008) , 10.1016/J.COMBUSTFLAME.2008.04.007
Jerzy Moc, John M. Simmie, Henry J. Curran, The elimination of water from a conformationally complex alcohol: A computational study of the gas phase dehydration of n-butanol Journal of Molecular Structure. ,vol. 928, pp. 149- 157 ,(2009) , 10.1016/J.MOLSTRUC.2009.03.026
A.T. Holley, Y. Dong, M.G. Andac, F.N. Egolfopoulos, T. Edwards, Ignition and extinction of non-premixed flames of single-component liquid hydrocarbons, jet fuels, and their surrogates Proceedings of the Combustion Institute. ,vol. 31, pp. 1205- 1213 ,(2007) , 10.1016/J.PROCI.2006.07.208