PAHs formation simulation in the premixed laminar flames of TRF with alcohol addition using a semi-detailed combustion mechanism

Jia, Guorui; Yao, Mingfa; Liu, Haifeng; Zhang, Peng; Chen, Beiling; Wei, Lixia

doi:10.1016/j.fuel.2015.04.013

Cited by 21 publications

(17 citation statements)

References 43 publications

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“…With the alcohol addition to premixed n -heptane/toluene flames, Xu et al suggested that the increasing concentrations of HO 2 and OH can enhance the PAH oxidation. Similar oxidation enhancement induced by the plentiful OH and O radicals from alcohol addition was also observed in the work of Jia et al…”

Section: Introductionsupporting

confidence: 85%

“…With the alcohol addition to premixed n-heptane/toluene flames, Xu et al 14 suggested that the increasing concentrations of HO 2 and OH can enhance the PAH oxidation. Similar oxidation enhancement induced by the plentiful OH and O radicals from alcohol addition was also observed in the work of Jia et al 15 However, it is also found that the addition of oxygenated fuels can promote PAH formation under some conditions. McEnally and Pfefferle 16 indicated the butanol isomer-doped non-premixed methane flames produced more soot than the undoped flames since methane without the C−C bond generated rare PAHs, whereas butanol isomers were accessible to produce soot precursors due to the more complex hydrocarbon structures.…”

Section: Introductionsupporting

confidence: 73%

“…The similar dilution effect of methanol was found under various operating conditions. 7,10,12,15,22 3.4. Pathway Analysis of Formation and Growth of PAHs for Different Oxygenated Fuels.…”

Section: Dimethyl Ether (Dme)mentioning

confidence: 75%

“…The detailed PAH mechanisms for oxygenated fuels are capable of describing the evolution of PAH formation. 7,8,15,22,25,26 However, it requires rather long computational time to implement a simulation with the integration of the detailed mechanism into computational fluid dynamics (CFD) modeling. Therefore, a comprehensive reduced PAH mechanism for oxygenated fuels and their blends is necessary to reproduce the PAH formation for engine simulations.…”

Section: Introductionmentioning

confidence: 99%

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Kinetic Modeling Study of Polycyclic Aromatic Hydrocarbon Formation and Oxidation for Oxygenated Fuels including Methanol, n-Butanol, Methyl Butanoate, and Dimethyl Ether

et al. 2020

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Oxygenated fuels are usually employed as alternative or additive fuels to gasoline and diesel fuels in order to reduce soot emissions. By involving the most recent reaction channels of polycyclic aromatic hydrocarbon (PAH) formation and oxidation, a reduced PAH mechanism was developed using the global sensitivity analysis for representative oxygenated fuels including methanol, n-butanol, methyl butanoate, and dimethyl ether. The new reduced chemical mechanism was constructed including 140 species and 448 reactions. The characteristics of PAH formation for different oxygenated fuels were reproduced by considering the variations of small radical and the formation and growth of PAHs with the fuel distinctive chemical structures. The present mechanism was used to predict the ignition delay times and the concentrations of primary species, A 1 , and large PAHs for a single component and their blended fuels. The calculated results indicate that the new mechanism can well describe the PAH formation for oxygenated fuels and reproduce the influence of the addition of oxygenated fuels on PAH formation in their blended fuels. Finally, the pathway analysis of A 1 formation and PAH growth was performed to understand the reaction pathways and tendencies of PAH formation for different oxygenated fuels. It is found that the discrepancies in the rates of production of the important routes of the formation and growth of PAHs for the test oxygenated fuels are apparent. The tendency of PAH formation is mainly affected by the length of the carbon chain available for producing PAHs. The impact of the oxygen content in oxygenated fuels on hindering PAH formation is minor since most oxygen in oxygenated fuels is converted into different small molecule oxygenated products.

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Section: Introductionsupporting

confidence: 85%

Section: Introductionsupporting

confidence: 73%

“…The similar dilution effect of methanol was found under various operating conditions. 7,10,12,15,22 3.4. Pathway Analysis of Formation and Growth of PAHs for Different Oxygenated Fuels.…”

Section: Dimethyl Ether (Dme)mentioning

confidence: 75%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Kinetic Modeling Study of Polycyclic Aromatic Hydrocarbon Formation and Oxidation for Oxygenated Fuels including Methanol, n-Butanol, Methyl Butanoate, and Dimethyl Ether

et al. 2020

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“…Butanol is more prone to pyrolysis into small hydrocarbons, contributing to the formation and growth of PAHs. Zhang et al 132 and Jia et al 133 compared the effects of adding methanol, ethanol and n-butanol on the formation of PAHs in a premixed flame of n-heptane/toluene and performed chemical kinetic analysis using a semi-detailed mechanism. The results show that at the same oxygen content, the addition of n-butanol can produce more OH radicals, enhance the oxidation and ultimately reduce the PAHs and soot better than methanol and ethanol.…”

Section: Comparison Of Different Alcoholsmentioning

confidence: 99%

Effects of alcohol addition to traditional fuels on soot formation: A review

Hua

Liu

et al. 2020

International Journal of Engine Research

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Soot is one of the main pollutants produced by incomplete combustion of hydrocarbon fuels, which poses a serious threat to human health and the urban environment. Alcohols have been generally considered to be a potential clean fuel to reduce soot emissions. At present, alcohol fuels represented by methanol, ethanol, butanol and pentanol have been extensively studied and have made remarkable progress. Therefore, this article is written as a broad overview of the subject. The effects of methanol, ethanol, butanol and pentanol additions on the formations of soot and polycyclic aromatic hydrocarbons were systematically summarized from the two aspects of the internal combustion engine bench and the fundamental combustion system. These studies have shown a decreasing or synergistic effect of alcohols addition on soot formation and initially revealed the mechanism of soot formation. However, the formation mechanism of soot in complex environments and the mechanism of the effects of alcohols on soot still need to be studied in depth, which can provide more opportunities for humans to reduce soot production during the combustion of hydrocarbon fuels. Finally, some challenges and research suggestions are outlined in the last section of this review.

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Effect of diesel and propanol blends on regulated pollutants and polycyclic aromatic hydrocarbons under lean combustion conditions

Yılmaz

Vigil

Donaldson

2022

Env Prog and Sustain Energy

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Alcohols such as n-propanol and diesel fuel can be mixed to increase the rate of bioalcohol utilization while reducing harmful pollutants. Examination of exhaust emissions from diesel engines, in terms of both regulated pollutants and unregulated polycyclic aromatic hydrocarbons (PAHs), is very important to the environment, public health, and engine durability. For this purpose, in this study, diesel blends with various n-propanol concentrations (5%, 20%, and 35% by volume) were evaluated in a diesel engine. Regulated emissions were measured using a standard 5-gas analyzer and polycyclic aromatic hydrocarbons were detected and quantified using gas chromatography-mass spectrometry (GC-MS). The effect of blended fuels on PAH formation (total PAHs, PAH distribution, and PAH toxicity) was examined in detail and compared with baseline diesel. Nitrogen oxide (NO x ) emissions were reduced by 18.30% with higher n-propanol concentrations. The addition of n-propanol to diesel decreased total PAHs by as much as 71.20%. The fuel blend with a 20% n-propanol concentration stood out with a maximum reduction of 91.23% in the toxicity of PAHs. In addition, n-propanol led to a substantial decrease in the distribution of high ring aromatic compounds. Overall, it was demonstrated that n-propanol is an effective additive to not only reduce the total PAH emissions and toxicity but also heavier PAHs which are more carcinogenic and cause a greater risk of the wetstacking issues for engines under cold operating or low load conditions.

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PAHs formation simulation in the premixed laminar flames of TRF with alcohol addition using a semi-detailed combustion mechanism

Cited by 21 publications

References 43 publications

Kinetic Modeling Study of Polycyclic Aromatic Hydrocarbon Formation and Oxidation for Oxygenated Fuels including Methanol, n-Butanol, Methyl Butanoate, and Dimethyl Ether

Kinetic Modeling Study of Polycyclic Aromatic Hydrocarbon Formation and Oxidation for Oxygenated Fuels including Methanol, n-Butanol, Methyl Butanoate, and Dimethyl Ether

Effects of alcohol addition to traditional fuels on soot formation: A review

Effect of diesel and propanol blends on regulated pollutants and polycyclic aromatic hydrocarbons under lean combustion conditions

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