Development and validation of a generic reduced chemical kinetic mechanism for CFD spray combustion modelling of biodiesel fuels

Cheng, Xinwei; Ng, Hoon Kiat; Gan, Suyin; Ho, Jee-Hou; Pang, Kar Mun

doi:10.1016/j.combustflame.2015.02.003

Cited by 28 publications

(37 citation statements)

References 37 publications

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“…The unit for pressure is converted from atm to bar (1 atm = 1.01 bar). c Selected residence time based on minimum extinction time at steady-state for combustion at low-, intermediate-and high-temperatures [47].…”

Section: Discussionmentioning

confidence: 99%

“…A1 in Appendix A. The mechanism reduction scheme consists of five reduction phases such as Directed Relation Graph with Error Propagation (DRGEP) [40,41] using Dijkstra's algorithm [42], isomer lumping [43,44], reaction path analysis, Directed Relation Graph (DRG) [45,46] as well as adjustment of reaction rate constant [37,44,47,48].…”

Section: Five-stage Chemical Kinetic Mechanism Reduction Schemementioning

confidence: 99%

“…Large-scale elimination of species and reactions from the detailed mechanisms commonly causes deviations in the ID and species concentration predictions. Consequently, appropriate optimisation of the reaction rate constants is carefully performed [37,44,47,48]. Further description of the mechanism reduction scheme is detailed in the previous work [11,39].…”

Section: Five-stage Chemical Kinetic Mechanism Reduction Schemementioning

confidence: 99%

“…The conditions applied for mechanism reduction are demonstrated in Table 1. JSR is included in this study as an additional data source for mechanism reduction as it is important in modelling the steady-state extinction process of the combustion process [47].…”

Section: Mechanism Reduction Proceduresmentioning

confidence: 99%

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Development of multi-component diesel surrogate fuel models – Part I: Validation of reduced mechanisms of diesel fuel constituents in 0-D kinetic simulations

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Section: Discussionmentioning

confidence: 99%

Section: Five-stage Chemical Kinetic Mechanism Reduction Schemementioning

confidence: 99%

Section: Five-stage Chemical Kinetic Mechanism Reduction Schemementioning

confidence: 99%

Section: Mechanism Reduction Proceduresmentioning

confidence: 99%

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Development of multi-component diesel surrogate fuel models – Part I: Validation of reduced mechanisms of diesel fuel constituents in 0-D kinetic simulations

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“…Therefore, the standard k-ε model with C ε1 adjusted to 1.58, which is a similar approach to that of Cheng et al [25], was selected for the simulations of non-reacting and reacting sprays.…”

Section: 2 Experimental Setupmentioning

confidence: 99%

Sensitivity analyses of biodiesel thermo-physical properties under diesel engine conditions

Cheng

Gan

et al. 2016

Energy

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This reported work investigates the sensitivities of spray and soot developments to the change of thermo-physical properties for coconut and soybean methyl esters, using two-dimensional computational fluid dynamics fuel spray modelling. The choice of test fuels made was due to their contrasting saturation-unsaturation compositions. The sensitivity analyses for nonreacting and reacting sprays were carried out against a total of 12 thermo-physical properties, at an ambient temperature of 900 K and density of 22.8 kg/m 3. For the sensitivity analyses, all the thermo-physical properties were set as the baseline case and each property was individually replaced by that of diesel. The significance of individual thermo-physical property was determined based on the deviations found in predictions such as liquid penetration, ignition delay period and peak soot concentration when compared to those of baseline case. Among all the properties, latent heat of vaporisation produced the greatest effect on the spray and soot developments under the tested conditions, as evidenced by a longer liquid penetration of 35.0% and a reduced peak soot concentration of 22.8%. Besides, coupled effects among the thermo-physical properties were discovered. Meanwhile, the effects of thermo-physical properties were also found to vary according to the addition of unsaturation levels and combustion chemistries.

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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 and validation of a generic reduced chemical kinetic mechanism for CFD spray combustion modelling of biodiesel fuels

Cited by 28 publications

References 37 publications

Development of multi-component diesel surrogate fuel models – Part I: Validation of reduced mechanisms of diesel fuel constituents in 0-D kinetic simulations

Development of multi-component diesel surrogate fuel models – Part I: Validation of reduced mechanisms of diesel fuel constituents in 0-D kinetic simulations

Sensitivity analyses of biodiesel thermo-physical properties under diesel engine conditions

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

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