Pathway analysis of skeletal kinetic mechanisms for small alcohol fuels at engine conditions

Pichler, Christoffer; Nilsson, Erik

doi:10.1016/j.fuel.2020.117956

Cited by 9 publications

(6 citation statements)

References 40 publications

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“…Moreover, C 2 H 4 , a soot precursor, was identified as one of the key intermediates from ethanol oxidation and considered in the RPA skeletal model of ethanol. Notably, this soot precursor could further react to generate HCO, [38]. Generally, it can be concluded from this study that the chance of soot formation from oxygenated biofuels is relatively low, because the dominant path (CH 2 OH formation) did not lead to the production of soot precursors.…”

Section: Resultsmentioning

confidence: 66%

“…The former was further decomposed to CH 3 CO, which then decomposed to produce CO through CH 3 CO (+M) ↔ CH 3 + CO + H (+M). It is worthy to note that out of the five possible fuel decomposition reactions reported by Pichler and Nilsson (2020) [38] using a full mechanism, only one was retained in this reduced mechanism. The reduction from five fuel decomposition paths to one fuel decomposition path shows that under the target conditions, one reaction could fully describe the chemistry of ethanol combustion.…”

Section: Resultsmentioning

confidence: 94%

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Reduced Combustion Mechanism for Fire with Light Alcohols

Wako

Pio

Salzano

2021

Fire

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The need for sustainable energy has incentivized the use of alternative fuels such as light alcohols. In this work, reduced chemistry mechanisms for the prediction of fires (pool fire, tank fire, and flash fire) for two primary alcohols—methanol and ethanol—were developed, aiming to integrate the detailed kinetic model into the computational fluid dynamics (CFD) model. The model accommodates either the pure reactants and products or other intermediates, including soot precursors (C2H2, C2H4, and C3H3), which were identified via sensitivity and reaction path analyses. The developed reduced mechanism was adopted to predict the burning behavior in a 3D domain and for the estimation of the product distribution. The agreement between the experimental data from the literature and estimations resulting from the analysis performed in this work demonstrates the successful application of this method for the integration of kinetic mechanisms and CFD models, opening to an accurate evaluation of safety scenarios and allowing for the proper design of storage and transportation systems involving light alcohols.

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Section: Resultsmentioning

confidence: 66%

Section: Resultsmentioning

confidence: 94%

Reduced Combustion Mechanism for Fire with Light Alcohols

Wako

Pio

Salzano

2021

Fire

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“…Thus, to reveal the combustion and explosion process of binary mixtures, the sensitivity analysis using a Premixed Laminar Flame in CHEMKIN-PRO with AramcoMech 2.0 was performed . AramcoMech 2.0 has been developed to characterize the kinetic and thermochemical properties of a large number of C1–C4 based hydrocarbon and oxygenated fuels over a wide range of experimental conditions, it contains 493 species and 2176 elementary reactions, which has been verified by a large number of researchers and achieved good results . Sensitivity analysis is a method of revealing the effect of the elementary reaction on each reactant during the reaction .…”

Section: Resultsmentioning

confidence: 99%

Experimental Study on Flammability Limits Behavior of Methane, Ethane, and Propane with Dilution of Nitrogen

et al. 2023

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The dilution inerting process of multi-component flammable gaseous mixtures is an important emergency disposal technology that has been widely applied in the explosion-proof field of flammability gases (vapors). In this study, we examined the flammability limits (LFLs and UFLs) of mono and binary alkane mixtures of methane, ethane, and propane when nitrogen is used for dilution inerting. The HY12474B explosion limit test device was used to determine the flammability limits, and the obtained data were compared with the literature data and Chatelier's law. Additionally, the sensitivity coefficient of the chemical reaction chain for LFLs and UFLs of the binary alkane mixtures was analyzed. The minimum inerting concentration (MIC) of methane was found to be sequentially higher than that of ethane and propane when using nitrogen for dilution inerting, and the MIC of the binary alkane mixtures follows the rule of methane/ethane > methane/propane > ethane/propane. Chemical kinetics calculation revealed that the maximum positive sensitivity coefficient of methane/ethane, methane/propane, and ethane/propane are both R5 H + O 2 ↔ O + OH, and the reaction with the maximum negative sensitivity coefficients are both R34 H + O 2 (+M) ↔ HO 2 (+M) and R43 CH 3 + H(+M) ↔ CH 4 (+M), respectively. The limiting oxygen concentration (LOC) for both mono alkane and binary alkane mixtures ranged between 10 and 13%. The region of the triangular flammability diagram for methane and ethane was greater than the regions for methane/ethane and methane/propane. In contrast, propane had a smaller region compared to other mono alkane or binary alkane mixtures.

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“…The calculations of internal energy, enthalpy, and entropy are conducted in a chemical kinetics and thermodynamics Python library, Cantera (Goodwin et al, 2021). A reduced AramcoMech 2.0 kinetic mechanism is used to compute the chemical exergy changes during combustion (Pichler and Nilsson, 2020). As the presented study focuses on ethanol-fueled combustion, this kinetic mechanism developed for small alcohol fuels (i.e., hydrocarbon reaction mechanisms for oxygenated C1 -C2 fuels) is selected based on the accuracy of chemical reaction calculation and the computational speed.…”

Section: Exergy Balancementioning

confidence: 99%