Numerical Simulation to Study the Effect of Oxygenated Fuels on the Combustion and Emission Characteristics of Engines

Oxygenated fuels, as a potential alternative energy source, are of great significance in promoting the sustainable transition of the energy structure. Through an in-depth analysis of the combustion characteristics of <i>n</i>-butanol and its derivatives, this study not only reveals the potential of these fuels in improving combustion efficiency and reducing pollutant emissions but also provides a scientific basis for promoting the sustainable development of clean energy. <i>n</i>-Butanol is a clean alternative fuel because of its good impermissibility with diesel, volatility, and oxygenation. In this paper, the effects of different blending ratios of <i>n</i>-butanol/diesel fuel on engine combustion and emission were investigated using chemical reaction kinetics combined with three-dimensional simulation, and the chemical mechanism of fuel oxygen in the combustion system on combustion and pollutant generation was revealed. The results show that the addition of <i>n</i>-butanol fuel has a significant effect on both combustion and emission. Since <i>n</i>-butanol has good volatility and low cetane number (CN), the ignition delay time (ID) is gradually prolonged with the increase in the <i>n</i>-butanol blending ratio. The mixture is more homogeneous, the proportion of premixed combustion increases, and the soot emission decreases, while the NO <sub><i>x</i></sub> emission is not much different. From the chemical kinetics point of view, the ignition of the blended fuel is mainly triggered by the low-temperature active diesel component <i>n</i>-heptane. During the low-temperature reaction before ignition, the OH group produced by <i>n</i>-heptane is occupied by <i>n</i>-butanol, which inhibits the low-temperature dehydrogenation reaction of <i>n</i>-heptane itself. Thus, the ignition of the blended fuel is delayed. At the same time, the addition of <i>n</i>-butanol provided more OH, HO<sub>2</sub>, and other oxidizing radicals for the combustion system, which enhanced the in-cylinder oxidation activity and promoted the oxidation of carbon smoke precursors and soot. Moreover, the O atoms in <i>n</i>-butanol combined with C to form a more stable CO, which reduced the amount of C atoms that could form carbon smoke precursors and led to a reduction in soot generation.

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Publication Details

Journal
ACS Omega
Published
2025-11-12
DOI
https://doi.org/10.1021/acsomega.5c08290
Citations
2
Primary Topic
Advanced Combustion Engine Technologies
Type
article
Field-Weighted Citation Impact
1.44
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article

Numerical Simulation to Study the Effect of Oxygenated Fuels on the Combustion and Emission Characteristics of Engines

Kun Shao, Tingting Cao, Bingfeng Huang, Heng Wu
2 citations
ACS Omega
Advanced Combustion Engine Technologies
1.44
article

Numerical Simulation to Study the Effect of Oxygenated Fuels on the Combustion and Emission Characteristics of Engines

Kun Shao, Tingting Cao, Bingfeng Huang, Heng Wu
article en
2 citations

Abstract

Oxygenated fuels, as a potential alternative energy source, are of great significance in promoting the sustainable transition of the energy structure. Through an in-depth analysis of the combustion characteristics of <i>n</i>-butanol and its derivatives, this study not only reveals the potential of these fuels in improving combustion efficiency and reducing pollutant emissions but also provides a scientific basis for promoting the sustainable development of clean energy. <i>n</i>-Butanol is a clean alternative fuel because of its good impermissibility with diesel, volatility, and oxygenation. In this paper, the effects of different blending ratios of <i>n</i>-butanol/diesel fuel on engine combustion and emission were investigated using chemical reaction kinetics combined with three-dimensional simulation, and the chemical mechanism of fuel oxygen in the combustion system on combustion and pollutant generation was revealed. The results show that the addition of <i>n</i>-butanol fuel has a significant effect on both combustion and emission. Since <i>n</i>-butanol has good volatility and low cetane number (CN), the ignition delay time (ID) is gradually prolonged with the increase in the <i>n</i>-butanol blending ratio. The mixture is more homogeneous, the proportion of premixed combustion increases, and the soot emission decreases, while the NO <sub><i>x</i></sub> emission is not much different. From the chemical kinetics point of view, the ignition of the blended fuel is mainly triggered by the low-temperature active diesel component <i>n</i>-heptane. During the low-temperature reaction before ignition, the OH group produced by <i>n</i>-heptane is occupied by <i>n</i>-butanol, which inhibits the low-temperature dehydrogenation reaction of <i>n</i>-heptane itself. Thus, the ignition of the blended fuel is delayed. At the same time, the addition of <i>n</i>-butanol provided more OH, HO<sub>2</sub>, and other oxidizing radicals for the combustion system, which enhanced the in-cylinder oxidation activity and promoted the oxidation of carbon smoke precursors and soot. Moreover, the O atoms in <i>n</i>-butanol combined with C to form a more stable CO, which reduced the amount of C atoms that could form carbon smoke precursors and led to a reduction in soot generation.

ACS OmegaVol. 10(46)
Weichai Power (China) (CN), Hubei University of Automotive Technology (CN)
Openalex Percentile: Top 16%
Advanced Combustion Engine Technologies
1.44
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