Development of a reduced n-butanol mechanism with combined reduction methods

Han, Feng; Zhang, Jing; Liu, Daojian; An, Ming; Zhang, Weiwen; Zhang, Xiaodong

doi:10.1016/j.fuel.2016.09.073

Cited by 18 publications

(32 citation statements)

References 50 publications

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“…Figure 5 shows the variation of laminar burning velocity for lean ( Φ = 0.8) and rich (Φ = 1.2) n-butanol+air mixtures with temperature ratio for unburnt mixture temperatures upto 600 K. For Φ = 0.8, the predictions of Liu et al [61] mechanism show noticeable underprediction when compared with the measured values. Numerical predictions of Feng et al [60] mechanism and the skeletal model show excellent agreement with the experimental data. For Φ = 1.2, the predictions from Feng et al [60] are slightly lower than measured values, whereas the Skeletal mechanism gives slightly higher values across the measured temperature ratios albeit within the uncertainty range.…”

Section: Influence Of Initial Temperature On Laminar Burning Velocitysupporting

confidence: 55%

“…Numerical predictions of Feng et al [60] mechanism and the skeletal model show excellent agreement with the experimental data. For Φ = 1.2, the predictions from Feng et al [60] are slightly lower than measured values, whereas the Skeletal mechanism gives slightly higher values across the measured temperature ratios albeit within the uncertainty range.…”

Section: Influence Of Initial Temperature On Laminar Burning Velocitysupporting

confidence: 55%

“…The predictions of Feng et al mechanism [60] are slightly lower than experimental measurements till a temperature ratio of ~1.55. Above this value, the predictions are in reasonably good agreement with experiments.…”

Section: Influence Of Initial Temperature On Laminar Burning Velocitymentioning

confidence: 67%

“…model [60] and Liu et al model [61]. The experimental results are compared only with the numerical predictions as there are no other experimental data available across this temperature range.…”

Section: Influence Of Initial Temperature On Laminar Burning Velocitymentioning

confidence: 99%

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Experimental and numerical investigations on the laminar burning velocity of n-butanol + air mixtures at elevated temperatures

Katoch

Alfazazi

Sarathy

et al. 2019

Fuel

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Laminar burning velocities of n-butanol+air mixtures were measured experimentally at elevated mixture temperatures using an externally heated meso-scale channel configuration.The measurements were carried out at atmospheric pressure for an equivalence ratio range 0.7-1.3 and unburnt mixture temperature range of 350 -600 K. Planar, stretch free and nearly adiabatic flames were stabilized in the diverging channel and used to extract the laminar burning velocity data based on mass conservation between the channel inlet and flame stabilization point. A skeletal kinetic-mechanism (124 species and 943 reactions) based on a previous model of Sarathy (2014) was developed to compare the present experimental results with mechanism predictions. Besides the skeletal model predictions, n-butanol experimental results were also compared with other recent kinetic models reported in literature. The effect of unburnt mixture temperature on burning velocity of n-butanol+air mixtures was evaluated using the power-law correlation : " = ",% " / ",%). The variation of temperature exponent (α) with equivalence ratio (Φ) was reported also for the first time. The values exhibit a non-linear inverted parabolic profile with a minimum value occurring for slightly rich mixtures at Φ =1.1.

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Section: Influence Of Initial Temperature On Laminar Burning Velocitysupporting

confidence: 55%

Section: Influence Of Initial Temperature On Laminar Burning Velocitysupporting

confidence: 55%

Section: Influence Of Initial Temperature On Laminar Burning Velocitymentioning

confidence: 67%

Section: Influence Of Initial Temperature On Laminar Burning Velocitymentioning

confidence: 99%

See 2 more Smart Citations

Experimental and numerical investigations on the laminar burning velocity of n-butanol + air mixtures at elevated temperatures

Katoch

Alfazazi

Sarathy

et al. 2019

Fuel

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“…In particular, 1-butanol is considered an excellent candidate for massive use, because of its high energy content, low water absorption, high miscibility with conventional fuels, and the possibility of being used in conventional engines (Kohse-Höinghaus et al, 2010). For this reason, 1-butanol combustion has been widely investigated and the global combustion properties, such as heat release and CO 2 emission, have been characterized (see, for instance Dagaut et al, 2009; Sarathy et al, 2009, 2012, 2014; Black et al, 2010; Grana et al, 2010; Harper et al, 2011; Cai et al, 2012; Yasunaga et al, 2012; Feng et al, 2017). Among the various elementary processes occurring when burning 1-butanol, its unimolecular high temperature decomposition is certainly important because of the high temperature conditions of combustion environments (Grana et al, 2010; Harper et al, 2011; Cai et al, 2012; Karwat et al, 2015).…”

Section: Introductionmentioning

confidence: 99%

An Experimental and Theoretical Investigation of 1-Butanol Pyrolysis

et al. 2019

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Bioalcohols are a promising family of biofuels. Among them, 1-butanol has a strong potential as a substitute for petrol. In this manuscript, we report on a theoretical and experimental characterization of 1-butanol thermal decomposition, a very important process in the 1-butanol combustion at high temperatures. Advantage has been taken of a flash pyrolysis experimental set-up with mass spectrometric detection, in which the brief residence time of the pyrolyzing mixture inside a short, resistively heated SiC tube allows the identification of the primary products of the decomposing species, limiting secondary processes. Dedicated electronic structure calculations of the relevant potential energy surface have also been performed and RRKM estimates of the rate coefficients and product branching ratios up to 2,000 K are provided. Both electronic structure and RRKM calculations are in line with previous determinations. According to the present study, the H 2 O elimination channel leading to 1-butene is more important than previously believed. In addition to that, we provide experimental evidence that butanal formation by H 2 elimination is not a primary decomposition route. Finally, we have experimental evidence of a small yield of the CH 3 elimination channel.

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Development and validation of a n‐butanol reduced chemical kinetic mechanism under engine relevant conditions

Choo

Cheng

Scribano

et al. 2021

Int J of Chemical Kinetics

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A n‐butanol reduced mechanism (60 species and 306 reactions) was developed using the direct relation graph with error propagation and isomer lumping methods. Sensitivity analysis (SA) was then performed to identify reactions that were sensitive to the ignition delay (ID) for the adjustments of the pre‐exponential factor to replicate the experimental ID times. As compared with the experimental measurements at initial temperatures of 343–1350 K, initial pressures of 0.02–80 bar, and equivalence ratios of 0.5–2.0, the maximum deviation for the predictions by the n‐butanol reduced mechanism was at 37.75% for the ID times, 8 cm/s for the laminar flame speed, and a factor of three for both the species concentration profiles under jet‐stirred reactor and premixed laminar flame. Furthermore, a maximum deviation of 2.5 crank angle degrees in combustion phasing was obtained when the reduced mechanism was benchmarked against the detailed mechanism under homogeneous charge compression ignition (HCCI) conditions at initial temperature of 413 K, initial pressure of 1 bar, and equivalence ratios of 0.5–2.0. Despite these deviations, the low temperature IDs and the laminar flame speed predicted by the present reduced mechanism were in better agreement to the experimental measurements than the existing n‐butanol reduced mechanisms of comparable sizes. Hence, this collectively indicates that improvements were made to the present reduced mechanism, particularly for the low‐temperature reactions. The n‐butanol reduced mechanism was also compared with gasoline and diesel surrogates under 0D HCCI simulations. The results indicate that the combustion characteristics of n‐butanol is closer to gasoline than to diesel. This suggests that n‐butanol could safely replace gasoline fuel in neat form while it is more suitable to be blended with diesel fuel to maintain engine performance and prevent any adverse effects on the engine.

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Development of a reduced n-butanol mechanism with combined reduction methods

Cited by 18 publications

References 50 publications

Experimental and numerical investigations on the laminar burning velocity of n-butanol + air mixtures at elevated temperatures

Experimental and numerical investigations on the laminar burning velocity of n-butanol + air mixtures at elevated temperatures

An Experimental and Theoretical Investigation of 1-Butanol Pyrolysis

Development and validation of a n‐butanol reduced chemical kinetic mechanism under engine relevant conditions

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Development of a reduced n-butanol mechanism with combined reduction methods

Cited by 18 publications

References 50 publications

Experimental and numerical investigations on the laminar burning velocity of n-butanol + air mixtures at elevated temperatures

Experimental and numerical investigations on the laminar burning velocity of n-butanol + air mixtures at elevated temperatures

An Experimental and Theoretical Investigation of 1-Butanol Pyrolysis

Development and validation of a n‐butanol reduced chemical kinetic mechanism under engine relevant conditions

Contact Info

Product

Resources

About

Experimental and numerical investigations on the laminar burning velocity of n-butanol + air mixtures at elevated temperatures

Experimental and numerical investigations on the laminar burning velocity of n-butanol + air mixtures at elevated temperatures