Laminar flame structure of ethyl pentanoate at low and atmospheric-pressure: Experimental and kinetic modeling study

Autor: T. A. Bolshova, Andrey G. Shmakov, Pierre-Alexandre Glaude, D. A. Knyaz’kov, Ksenia N. Osipova, Artem M. Dmitriev
Přispěvatelé: Laboratoire Réactions et Génie des Procédés (LRGP), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL), Voevodsky Institute of Chemical Kinetics and Combustion, Siberian Branch of the Russian Academy of Sciences (SB RAS), Novosibirsk State University (NSU), Tomsk State University, Tomsk State University [Tomsk]
Rok vydání: 2021
Předmět:
предварительно смешанное пламя
Materials science
Ethyl pentanoate
020209 energy
Flame structure
Thermodynamics
02 engineering and technology
Combustion
Mole fraction
7. Clean energy
молекулярно-лучевая масс-спектрометрия
Industrial and Manufacturing Engineering
law.invention
этилпентаноат
chemistry.chemical_compound
020401 chemical engineering
Ethyl propionate
ethyl valerate
law
биотопливо
0202 electrical engineering
electronic engineering
information engineering
premixed flame
molecular beam mass spectrometry
0204 chemical engineering
Electrical and Electronic Engineering
Civil and Structural Engineering
Premixed flame
detailed chemical kinetic mechanism 2
Atmospheric pressure
Mechanical Engineering
chemical kinetic modeling
этилвалерат
Building and Construction
Pollution
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry
Ignition system
General Energy
chemistry
ethyl pentanoate
13. Climate action
biofuel
Zdroj: Energy
Energy, Elsevier, 2021, 215, pp.119115. ⟨10.1016/j.energy.2020.119115⟩
Energy. 2021. Vol. 215, Part A. P. 119115 (1-13)
ISSN: 0360-5442
DOI: 10.1016/j.energy.2020.119115
Popis: International audience; Ethyl pentanoate (EPE) or ethyl valerate is considered a surrogate for biodiesel fuels and a potential fuel for spark ignition engines. Knowledge of its combustion chemistry is of great importance for the development of high-performance and environmentally friendly combustion devices fuelled with biofuels. In this work, a detailed chemical kinetic mechanism for the combustion of EPE is developed on the basis of a well-validated kinetic model proposed earlier for short ethyl esters up to ethyl propionate (by Sun et al.). The Sun et al. mechanism was augmented with primary oxidation reactions of ethyl butanoate and ethyl pentanoate and specific intermediates involved in these reactions. The proposed kinetic mechanism was validated against the new experimental data reported in this work on the chemical speciation of laminar premixed flames of stoichiometric EPE/O2/Ar mixtures at low (50 Torr) and atmospheric pressures. The mechanism provided a good predictive capability for experimental mole fraction profiles of many flame intermediates. The new mechanism was also shown to predict well literature experimental data on laminar flame speeds of EPE/air mixtures in a range of equivalence ratios and pressures. The reported flame data can be used for validation of kinetic models for ethyl ester-based biofuels.
Databáze: OpenAIRE
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