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Bioethanol combustion based on a reduced kinetic mechanism

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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.

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Acknowledgments

This research is being developed at the Federal University of Rio Grande do Sul—UFRGS. Andreis and Vaz thank the financial support from the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior—CAPES—Brazil, and Prof. De Bortoli gratefully acknowledges the financial support from the Conselho Nacional de Desenvolvimento Científico e Tecnológico—CNPq—Brazil, under process 303007/2009-5

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Authors and Affiliations

  1. Graduate Program in Chemical Engineering, Federal University of Rio Grande do Sul, Street Eng. Luiz Englert s/n, Porto Alegre, RS, 90040-040, Brazil

    G. S. L. Andreis

  2. Federal University of Pampa, Lane 45, 1650, Bagé, RS, 96413-170, Brazil

    F. A. Vaz

  3. Graduate Program in Applied Mathematics, Federal University of Rio Grande do Sul, Av. Bento Gonçalves 9500, PO Box 15080, Porto Alegre, RS, 91509-900, Brazil

    A. L. De Bortoli

Authors
  1. G. S. L. Andreis
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  2. F. A. Vaz
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  3. A. L. De Bortoli
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Correspondence to G. S. L. Andreis.

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Andreis, G.S.L., Vaz, F.A. & De Bortoli, A.L. Bioethanol combustion based on a reduced kinetic mechanism. J Math Chem 51, 1584–1598 (2013). https://doi.org/10.1007/s10910-013-0166-3

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  • DOI: https://doi.org/10.1007/s10910-013-0166-3

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