Effect of water content of hydrous ethanol on chemical kinetic characteristics based on the new developed reduced ethanol-toluene reference fuels mechanism

Shi, Xiuyong; Qian, Weiwei; Wang, Qiwei; Luo, Hengbo; Kang, Yang Jun; Ni, Jimin

doi:10.1016/j.fuel.2021.121201

Cited by 10 publications

(3 citation statements)

References 52 publications

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“…However, integrating a detailed kinetic mechanism with a comprehensive physical model of soot nucleation, oxidation, aggregation, fragmentation, and other processes demands substantial computational resources. Moreover, errors may arise in intermediate processes due to an excess or insufficient amount of a specific chemical component. Simplifying the detailed model could lead to excessive errors in predicting the laminar flame speed, species concentration, and ignition delay time, compromising the accuracy of chemical reaction kinetics. , Hence, there is a need for a chemical kinetics model that can be coupled with the physical process of soot generation, suitable for multidimensional simulation, and capable of accurately reappearing laminar flame speed, ignition delay time, and species concentration. Furthermore, studying the impact of ammonia on soot formation in coflow laminar flames typically involves three approaches.…”

Section: Introductionmentioning

confidence: 99%

“…Simplifying the detailed model could lead to excessive errors in predicting the laminar flame speed, species concentration, and ignition delay time, compromising the accuracy of chemical reaction kinetics. 31,32 Hence, there is a need for a chemical kinetics model that can be coupled with the physical process of soot generation, suitable for multidimensional simulation, and capable of accurately reappearing laminar flame speed, ignition delay time, and species concentration. Furthermore, studying the impact of ammonia on soot formation in coflow laminar flames typically involves three approaches.…”

Section: Introductionmentioning

confidence: 99%

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Physical and Chemical Effects of Ammonia on Gas Emissions and Soot Formation in Laminar Coflow Ethylene Diffusion Flames

Qian,

Shi,

2024

Energy Fuels

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As a noncarbon fuel, ammonia is being explored as a potential alternative. This study delves into the physical and chemical impacts of ammonia in laminar coflow ethylene diffusion flames. Initially, an experiment is conducted to scrutinize the flame characteristics, including temperature, in these flames. Subsequently, a new C 2 H 4 −NH 3 −PAH model is developed and verified through ignition delay times, laminar flame speeds, and species profiles. Building on this model, the study analyzes the physical and chemical effects of ammonia on temperature, gas emissions (CO, CO 2 , NO, NO 2 , HCN, and N 2 O), formation of polycyclic aromatic hydrocarbons (PAHs), and the nucleation, condensation, growth, and oxidation of soot in laminar coflow ethylene diffusion flames. The findings reveal that under constant ethylene flow rates the use of ammonia has minimal impact on flame temperature. Moreover, ammonia decreases CO and CO 2 emissions primarily due to its dilution effect. However, gas emissions such as NO, NO 2 , HCN, and N 2 O significantly increase due to the chemical effect of ammonia. Furthermore, soot precursors noticeably decrease with the addition of NH 3 because of the inhibition of PAH formation through ammonia's dilution effect. Nevertheless, the chemical effect of ammonia plays a counterproductive role in reducing precursor formation, resulting in increased emissions of precursors A1−A4 due to the decreased free radicals. In the assessment of the nucleation, condensation, growth, and oxidation of soot in laminar coflow ethylene diffusion flames, the study indicates a substantial drop (25.7%) in the inception rate of A60 compared to A0 when using ammonia. It is noteworthy that the primary reason for the reduced soot formation with ammonia lies in the decrease of the inception rate through the dilution effect of ammonia and the inhibition of the hydrogen abstraction carbon addition (HACA) surface growth rate because the chemical effect of ammonia reduces free radical H and CH 3 concentrations.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Physical and Chemical Effects of Ammonia on Gas Emissions and Soot Formation in Laminar Coflow Ethylene Diffusion Flames

Qian,

Shi,

2024

Energy Fuels

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“…Liang [15] added diisobutylene (DIB) as a representative of olefins in gasoline to TRF and developed a four-component simplified mechanism suitable for homogeneous charge compression ignition (HCCI) engines. Shi [16] et al developed an oxygenated gasoline surrogate model based on the effect of water addition on chemical kinetics. In order to improve the explosion resistance of gasoline, Andrae [17] developed a five-component skeleton mechanism (including isooctane, n-heptane, toluene, diisobutylene, and ethanol) by adding ethanol to gasoline surrogate fuels.…”

Section: Introductionmentioning

confidence: 99%

Effect of Cyclohexane on the Combustion Characteristics of Multi-Component Gasoline Surrogate Fuels

2023

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It has been discovered that there is a dynamic coupling between cycloalkanes and aromatics, which affects the number and types of radicals, thereby controlling the ignition and combustion of fuels. Therefore, it is necessary to analyze the effects of cyclohexane production in multicomponent gasoline surrogate fuels containing cyclohexane. In this study, a five-component gasoline surrogate fuel kinetic model containing cyclohexane was first verified. Then, the effect of cyclohexane addition on the ignition and combustion performance of the surrogate fuel was analyzed. This study shows that the five-component model exhibits good predictive performance for some real gasoline. Meanwhile, the addition of cyclohexane decreases the ignition-delay time of the fuel in the low and high temperature bands, which is caused by the early oxidation and decomposition of cyclohexane molecules, generating more OH radicals; in the medium temperature band, the isomerization and decomposition reactions of cyclohexane oxide cC6H12O2 dominate the temperature sensitivity of the ignition delay, affecting the small molecule reactions that promote the generation of reactive radicals such as OH, thus inhibiting the negative temperature coefficient behavior of the surrogate fuel. The laminar flame speed of the surrogate fuels increased with the increase in the proportion of cyclohexane. This is due to the fact that the laminar flame speed of cyclohexane is higher than that of chain and aromatic hydrocarbons, and the addition of cyclohexane dilutes the ratio of chain and aromatic hydrocarbons in the mixture. In addition, engine simulation studies have shown that at higher engine speeds, the five-component surrogate fuel containing cyclohexane requires lower intake-gas temperatures to achieve positive ignition and are closer to the in-cylinder ignition of real gasoline.

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Effect of ethanol on auto-ignition characteristics and laminar burning velocity of gasoline under elevated temperature and pressure

Wang

Zhou

et al. 2023

Fuel Processing Technology

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Effect of water content of hydrous ethanol on chemical kinetic characteristics based on the new developed reduced ethanol-toluene reference fuels mechanism

Cited by 10 publications

References 52 publications

Physical and Chemical Effects of Ammonia on Gas Emissions and Soot Formation in Laminar Coflow Ethylene Diffusion Flames

Physical and Chemical Effects of Ammonia on Gas Emissions and Soot Formation in Laminar Coflow Ethylene Diffusion Flames

Effect of Cyclohexane on the Combustion Characteristics of Multi-Component Gasoline Surrogate Fuels

Effect of ethanol on auto-ignition characteristics and laminar burning velocity of gasoline under elevated temperature and pressure

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