Analysis of the Effects of Certain Alcohol and Furan-Based Biofuels on Controlled Auto Ignition

Brassat, Adrien; Thewes, Matthias; Müther, Martin; Pischinger, Stefan; Lee, Changyoul; Fernandes, Ravi X.; Olivier, H.; Uygun, Yasar

doi:10.4271/2012-01-1135

Cited by 24 publications

(10 citation statements)

References 17 publications

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“…[5][6][7][8][9] Positive results in engine performance and reductions in emissions were reported for furan-based blends with diesel. 10 In fact, furfural from hemicellulose and 5-HMF from cellulose in biomass have been selected as two of the top 10 building block chemicals or co-products in a biorefinery along with two furfural derivatives: furan dicarboxylic acid and levulinic acid. 3,5,11 Furfural is a heterocyclic aldehyde, produced by dehydration of the pentoses xylose and arabinose which are major components in most forms of biomass hemicellulose.…”

Section: Introductionmentioning

confidence: 99%

Enhanced yields of furfural and other products by simultaneous solvent extraction during thermochemical treatment of cellulosic biomass

2013

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Section: Introductionmentioning

confidence: 99%

Enhanced yields of furfural and other products by simultaneous solvent extraction during thermochemical treatment of cellulosic biomass

2013

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“…Ignition delay time validation for 2-MTHF surrogate. On the left part of Figure 5, experimental ignition delay time measurements from Brassat et al 13 and Heufer et al 16 for 2-MTHF at stoichiometric air-fuel mixture and 20 bar pressure are compared to zero-dimensional ignition delay time calculations for the individual surrogate components, using the FlameMaster Code. 49 It is evident that none of the individual surrogate components matches the experimental behavior.…”

Section: Reaction Chemistrymentioning

confidence: 99%

“…Ignition delay time over inverse of temperature at stoichiometric conditions and 20 bar. RCM experiments from Brassat et al 13 (red plus symbols) and shock tube experiments from Heufer et al 16 (green crosses) for 2-MTHF. Left part: ignition delay time for surrogate components compared to 2-MTHF measurements.…”

Section: Experimental and Numerical Setupmentioning

confidence: 99%

“…5,[8][9][10][11][12] By the use of detailed chemical reaction mechanisms, the RIF model inherently accounts for low-and high-temperature auto-ignition, heat release, and pollutant formation. However, despite the focused research on reaction chemistry within the TMFB group and elsewhere, [13][14][15][16][17][18][19][20] chemical reaction mechanisms of novel biofuels are not readily available. New fuel classes containing numerous isomers with partly very different chemical properties have to be considered.…”

Section: Introductionmentioning

confidence: 99%

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Surrogate fuels for the simulation of diesel engine combustion of novel biofuels

Kerschgens

Cai

Pitsch

et al. 2014

International Journal of Engine Research

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Recently, several promising biomass-derived fuels for diesel engines have been identified, produced, and tested. Diesel engine experiments confirmed very low soot and low nitrogen oxide emissions. With regard to further improvements of the combustion system, it is desirable to complement the diesel engine experiments with numerical simulations. To date, this is hindered by the lack of suitable chemical reaction mechanisms for these novel fuels. Therefore, a surrogate approach is presented here and applied in computational fluid dynamics simulations. Combustion and pollutant formation is simulated using the representative interactive flamelet model. Ignition, combustion, and pollutant formation are described in a consistent manner by inclusion of detailed reaction chemistry. Different mixtures of n-heptane, toluene, ethanol, dimethylether, ethane, and phenol are employed to describe the combustion chemistry of the biofuels. The compositions of the surrogate fuels are compiled according to hydrogen/carbon ratio, oxygen content, cetane rating, and molecular properties of the experimental fuels. Spray, injection, and evaporation properties of the experimental fuels, as obtained from spray vessel experiments, are included in the computational fluid dynamics simulations. By systematic comparison of experimental and numerical results, the surrogate methodology is validated and an improved understanding of the limitations of the current surrogates is achieved. Thus, a methodology for the fast adoption of novel fuels for simulations is proposed that can be used regardless of the availability of specific chemical reaction mechanisms.

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“…Furan derivatives such as 2‐methylfuran (2‐MF; 28.5 MJ L −1 ) 14 and dimethylfuran (29.3 MJ L −1 ) 14 have a higher energy density 15 and are less water‐soluble than ethanol, which decreases the likelihood of water contamination while providing better knock suppression than gasoline 9,14–16 . These factors make furan derivatives a promising gasoline replacement in autoignition engines 17 and direct injection spark ignition engines 10,17 . To fully understand the potential implications of using furan derivatives as a fuel or fuel additive in engines, it is necessary to study the reaction mechanisms that they undergo under combustion conditions.…”

Section: Introductionmentioning

confidence: 99%

Kinetic study of the CN radical reaction with 2‐methylfuran

Lee

Caster

Maddaleno

et al. 2020

Int J of Chemical Kinetics

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The gas phase reaction of the ground state cyano-radical (CN (X 2 ∑ +)) with 2methylfuran (2-MF) is investigated in a quasi-static reaction cell at pressures ranging from 2.2 to 7.6 Torr and temperatures ranging from 304 to 440 K. The CN radicals are generated in their ground electronic state by pulsed laser photolysis of gaseous cyanogen iodide (ICN) at 266 nm. Their concentration is monitored as a function of reaction time using laser-induced fluorescence at 387.3 nm on the B 2 ∑ + (ν′ = 0) ← X 2 ∑ + (ν″ = 0) vibronic band. The reaction rate coefficient is found to be rapid and independent of pressure and temperature. Over the investigated temperature and pressure ranges, the rate coefficient is measured to be 2.83 (± 0.18) × 10 −10 cm 3 molecules s −1. The enthalpies of the stationary points and transition states on the CN + 2-MF potential energy surface are calculated using the CBS-QB3 computational method. The kinetic results suggest the lack of a prereactive complex on the reaction entrance channel with either a very small or nonexistent entrance energy barrier. In addition, the potential energy surface calculations reveal only submerged barriers along the minimum energy path. Based on comparisons between previous CN reactions with unsaturated hydrocarbons, the most likely reaction pathway is CN addition onto one of the unsaturated carbons followed by either H or methyl elimination. The implications for the transformation of biomass-derived fuels in nitrogen-rich flames is discussed.

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Analysis of the Effects of Certain Alcohol and Furan-Based Biofuels on Controlled Auto Ignition

Cited by 24 publications

References 17 publications

Enhanced yields of furfural and other products by simultaneous solvent extraction during thermochemical treatment of cellulosic biomass

Enhanced yields of furfural and other products by simultaneous solvent extraction during thermochemical treatment of cellulosic biomass

Surrogate fuels for the simulation of diesel engine combustion of novel biofuels

Kinetic study of the CN radical reaction with 2‐methylfuran

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