NDLI: Bioethanol combustion based on a reduced kinetic mechanism

Content Provider	Springer Nature Link
Author	Andreis, G. S. L. Vaz, F. A. De Bortoli, A. L.
Copyright Year	2013
Abstract	Bioethanol is a fuel additive or a fuel substitute that has the benefit of being cleaner and price competitive with gasoline. Therefore, we develop a reduced kinetic mechanism capable of modeling the ethanol combustion and the generation of the combustion products $$\text{H}_{2}\text{O},~\text{CO}_{2},~\text{CO},~ \text{H}_{2},~ \text{C}_{2}\text{H}_{4}$$ and OH. Based on a mechanism composed by 372 reversible elementary reactions among 56 reactive species, we propose a reduction strategy to obtain an eight-step mechanism for the ethanol. The reduction strategy consists in estimating the order of magnitude of the reaction rate coefficients, defining the main chain, applying the steady-state and partial equilibrium hypotheses, and justifying the assumptions through an asymptotic analysis. The main advantage of the obtained reduced mechanism is the decrease of the work needed to solve the system of chemical equations proportionally to the number of elementary reactions present in the complete mechanism. Numerical tests are carried out for a jet diffusion flame of ethanol and the results compare well with available data in the literature.
Ending Page	1598
Page Count	15
Starting Page	1584
File Format	PDF
ISSN	02599791
e-ISSN	15728897
Journal	Journal of Mathematical Chemistry
Issue Number	6
Volume Number	51
Language	English
Publisher	Springer Netherlands
Publisher Date	2013-03-28
Publisher Place	Dordrecht
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Theoretical and Computational Chemistry Reduced mechanism Simulation Physical Chemistry Chemical kinetics Combustion Kinetics Math. Applications in Chemistry
Content Type	Text
Resource Type	Article
Subject	Applied Mathematics Chemistry

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