Minimized Skeletal Mechanism for Methyl Butanoate Oxidation and Its Application to the Prediction of C3–C4Products in Nonpremixed Flames: A Base Model of Biodiesel Fuels
| Autor: | Hairong Tao, Chuang-Te Chiu, Kuang C. Lin, Fan-Hsu Kao |
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| Rok vydání: | 2016 |
| Předmět: |
Biodiesel
Molar concentration Chemistry Component (thermodynamics) 020209 energy General Chemical Engineering Energy Engineering and Power Technology Thermodynamics 02 engineering and technology Combustion Decomposition Fuel Technology Reaction rate constant Phase (matter) Elementary reaction 0202 electrical engineering electronic engineering information engineering Organic chemistry |
| Zdroj: | Energy & Fuels. |
| ISSN: | 1520-5029 0887-0624 |
| DOI: | 10.1021/acs.energyfuels.5b02389 |
| Popis: | Kinetic database of methyl butanoate (MB) combustion has been widely used as a base component for formulating kinetic mechanisms describing oxidation of larger methyl esters for biodiesel fuel surrogates. In this study, the detailed mechanism of Dooley et al. (Dooley, S.; Curran, H. J.; Simmie, J. M. Combust. Flame 2008, 153, 2–32) is minimized without empirical adjustment of rate constants in elementary reactions, using a combination of methods including a path flux analysis, removal of individual species, and peak molar concentration analysis. In the first phase, a basic skeletal mechanism with 38 species and 170 reactions for the oxidation of MB is developed, toward understanding the capability and limits of the reduced descriptions on high-temperature ignition delay times and major species profiles in 1-D counterflow flames. A comprehensive analysis of the decomposition pathways associated with preserved and removed reactions provides a scheme for mechanism developers with a clear foundation for creat... |
| Databáze: | OpenAIRE |
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