Experimental and modeling study on the influences of methanol on premixed fuel-rich n-heptane flames

Chen, Gen; Yu, Weidong; Jiang, Xue; Huang, Zuohua; Wang, Zhandong; Cheng, Zhanjun

doi:10.1016/j.fuel.2012.07.032

Cited by 45 publications

(7 citation statements)

References 47 publications

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“…The validations of the present mechanism against the measured major species and A 1 are displayed in Figure a–f. It is seen that the overall structure of the flames can be reproduced fairly well with the new PAH mechanism, and the predictions are consistent with those of the detailed kinetic model presented in ref . The calculated concentrations of C 2 H 2 , C 2 H 4 , a C 3 H 4 , and C 3 H 6 radicals agree with the measured data, except for the shifted peak position of the predicted C 2 H 2 concentration.…”

Section: Resultssupporting

confidence: 82%

“…Chen and his co-workers studied the influence of the methanol additive on the premixed n -heptane ( n C 7 H 16 ) flames at ϕ = 1.8 and p = 4000 Pa, and the effect of oxygenated fuel addition in n -alkane on the PAH formation is investigated in this section. The validations of the present mechanism against the measured major species and A 1 are displayed in Figure a–f.…”

Section: Resultsmentioning

confidence: 99%

“…10 3.3.4. n-Heptane and Methanol. Chen and his coworkers 80 studied the influence of the methanol additive on the premixed n-heptane (nC 7 H 16 ) flames at ϕ = 1.8 and p = 4000 Pa, and the effect of oxygenated fuel addition in n-alkane on the PAH formation is investigated in this section. The validations of the present mechanism against the measured major species and A 1 are displayed in Figure 10a− The experimental data of the concentrations of C 2 H 2 , C 2 H 4 , and aC 3 H 4 radicals present decreasing trends with the addition of methanol, which are also successfully captured by the new mechanism.…”

Section: Dimethyl Ether (Dme)mentioning

confidence: 87%

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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: Resultssupporting

confidence: 82%

Section: Resultsmentioning

confidence: 99%

Section: Dimethyl Ether (Dme)mentioning

confidence: 87%

See 1 more Smart Citation

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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“…5. Moreover, Chen et al [52] observed that the addition of alcohol in hydrocarbon laminar flame results in higher CO emission. They stated that the carbon connected oxygen in alcohol molecule will be converted to CO [53], which results in the higher CO emission.…”

Section: B Gaseous Emissionsmentioning

confidence: 99%

Comparisons of the Emissions of Ethanol/Diesel and n-Pentanol/Diesel Fuel Blends: Engine Test and Kinetic Modeling Study

et al. 2019

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A comparative study of the effects of ethanol/diesel (DE) and n-pentanol/diesel (DP) blends on the engine performance and emission in a direct-injection diesel engine was carried out. The results show that brake specific fuel consumption increases with increasing alcohol fraction for both DE and DP fuel blends. Nevertheless, DE and DP fuel additions show no significant influence on brake thermal efficiency. Besides, ethanol and/or n-pentanol slightly increase the brake specific gaseous pollutant emissions such as the brake specific total unburned hydrocarbon (BSHC), carbon monoxide (BSCO), and nitrogen oxides (BSNOx), while dramatically reduce particulate emissions. The DE and DP blends show approximately the same level of BSCO and BSHC emissions, while DP blends result in slightly higher BSNOx and particulate emissions. A detailed kinetic model was proposed to calculate the soot formation precursors such as benzene and pyrene. The modeling results show that the length of carbon chain has only slight effect on soot reduction under relatively low oxygen mass content, while ethanol/diesel blend exhibits lower soot formation under high oxygen concentration.

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“…In the fuel chemistry area, improved oxidation mechanisms of hydrocarbon and oxygenated fuels have been developed using experimental and computational efforts. 11–14 Reduced or skeleton methanol/n-heptane mechanisms, which include major reaction pathways, have been developed to simulate the oxidation of each individual fuel or blends. 13,14 In turbulence modeling, more advanced turbulence models, such as large eddy simulation (LES), have been applied to in-cylinder combustion simulations.…”

Section: Introductionmentioning

confidence: 99%

Simulations of diesel–methanol dual-fuel engine combustion with large eddy simulation and Reynolds-averaged Navier–Stokes model

Yao

Rutland

2014

International Journal of Engine Research

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A comparison of large eddy simulation and Reynolds-averaged Navier–Stokes combustion models was performed using simulations of a diesel–methanol dual-fuel engine. The two models share the assumption that the reaction rate for each species is determined by the chemical kinetic processes as well as the relative magnitude of mixing and reaction effects, which are characterized by a kinetic timescale and a turbulence timescale. The main difference in the two models lies in their formulations of the turbulence timescale. The turbulence timescale in the Reynolds-averaged Navier–Stokes model is proportional to the eddy turnover time, while the turbulence timescale in the large eddy simulation model is the time needed for the mixture to reach perfectly mixed conditions based on the scalar dissipation rate. The models were tested using data from experiments on a modified heavy-duty diesel engine. Test cases using low methanol ratios, high methanol ratios and different initial temperatures were examined. In general, the ignition delay increases as the methanol ratio increases. In the models, this was found to occur due to the chemical interaction of the methanol and the diesel fuel. In addition, methanol auto-ignition occurs when the initial temperature is over 425 K. The large eddy simulation model and Reynolds-averaged Navier–Stokes model give similar predictions for the low methanol ratio cases. The large eddy simulation model shows improved capability to predict the high methanol ratio cases and methanol auto-ignition cases, represented by good agreement with experimental results.

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Experimental and modeling study on the influences of methanol on premixed fuel-rich n-heptane flames

Cited by 45 publications

References 47 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

Comparisons of the Emissions of Ethanol/Diesel and n-Pentanol/Diesel Fuel Blends: Engine Test and Kinetic Modeling Study

Simulations of diesel–methanol dual-fuel engine combustion with large eddy simulation and Reynolds-averaged Navier–Stokes model

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