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Kinetic analysis of the acetone-butanol-ethanol combustion mechanism in 0D simulated Otto cycle internal engine

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Abstract

In this work, a detailed combustion mechanism was adopted in order to perform a kinetic analysis of the initiation steps in the spark ignition combustion mechanism of acetone (A), n-butanol (B), ethanol (E) and the blends BE (1:1) and ABE (3:6:1). Autoignition combustion simulations were also performed and the resulting ignition delay times were compared. Simulations showed a spread of ignition delay time values, being the highest value attributed to the ethanol combustion whereas acetone is responsible for the lowest. Simulations suggest that acetone exerts great influence on the ignition delay time of the blend ABE. In the spark ignition simulations, all fuels and blends showed similar combustion profiles, with ignition delay times varying from 3.12 × 10−5 to 1.54 × 10−4 s (butanol and ethanol). The kinetic analysis of the reaction rates suggests that the reaction of alkyl radicals with atomic oxygen, produced from the action of the spark, is of great importance to the initiation of the combustion mechanism, leading to the formation of hydroxyl radicals, which play fundamental role in the reactions of hydrogen abstraction of the fuels. The rates of production of carbon monoxide, aldehydes and NOx were also analyzed in the spark ignition simulations, due to environmental issues. All simulations suggest similar results for the [CO]/[CO2] ratio. The highest production of NOx and aldehydes is related to the acetone combustion, whereas butanol combustion yields the lowest levels of both pollutants.

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Acknowledgements

The authors thank CAPES, FAPERJ and Peugeot Citroën do Brasil Automóveis Ltda (E-26/010.003338/2014 and APQ1-111.160/2014) for the financial support to this project.

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The authors have no relevant financial or non-financial interests to disclose.

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Authors and Affiliations

  1. Departamento de Química Fundamental, Instituto de Química, Universidade Federal Rural do Rio de Janeiro, Seropédica, RJ, Brazil

    Gladson de Souza Machado & Glauco Favilla Bauerfeldt

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  1. Gladson de Souza Machado
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  2. Glauco Favilla Bauerfeldt
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Contributions

All authors contributed to the study conception and design. Material preparation, data collection and analysis were performed by GSM. The first draft of the manuscript was written by GSM and all authors commented on previous versions of the manuscript. All authors read and approved the final manuscript. Conceptualization: GSM and GFB; Methodology: GSM and GFB; Formal analysis and investigation: GSM; Writing—original draft preparation: GSM; Writing—review and editing: GFB; Funding acquisition: GFB; Supervision: GFB.

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Correspondence to Glauco Favilla Bauerfeldt.

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The authors have no conflicts of interest to declare that are relevant to the content of this article. All authors certify that they have no affiliations with or involvement in any organization or entity with any financial interest or non-financial interest in the subject matter or materials discussed in this manuscript. The authors have no financial or proprietary interests in any material discussed in this article.

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de Souza Machado, G., Bauerfeldt, G.F. Kinetic analysis of the acetone-butanol-ethanol combustion mechanism in 0D simulated Otto cycle internal engine. Reac Kinet Mech Cat 135, 303–316 (2022). https://doi.org/10.1007/s11144-021-02137-y

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  • DOI: https://doi.org/10.1007/s11144-021-02137-y

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