Combustion and pyrolysis of iso-butanol: Experimental and chemical kinetic modeling study

Merchant, Shamel S.; Zanoelo, Éverton Fernando; Speth, Raymond L.; Harper, Michael R.; Geem, Kevin Van; Green, William

doi:10.1016/j.combustflame.2013.04.023

Cited by 68 publications

(75 citation statements)

References 79 publications

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“…For most test cases, better or equal agreement with experimental data is achieved by the Burke et al model, especially for high-pressure and/or flame targets at diluted conditions [56]. Merchant et al [58] showed in their publication on combustion and pyrolysis of iso-butanol, that the ''change in predictions to the iso-butanol experiment caused by the substitution of Burke et al model is within the various errors ranges associated with the simulation methods and the experimental measurements.'' Improved agreement by the substitution of the H 2 /O 2 -system by the Burke et al model compared to the USC-II mechanism is observed when comparing the flame speed of the n-butane/O 2 /N 2 flame measured by Davis and Law [59] for equivalence ratios of 0.7 < U < 1.3.…”

Section: Kinetic Model Generationmentioning

confidence: 93%

1-, 2- and 3-Pentanol combustion in laminar hydrogen flames – A comparative experimental and modeling study

Köhler

Kathrotia

Oßwald

et al. 2015

Combustion and Flame

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a b s t r a c tOxidation pathways of three different pentanol isomers 1-, 2-and 3-pentanol are investigated using the electron-ionization molecular-beam mass spectrometry (EI-MBMS) technique. New experimental speciation data was obtained from laminar, flat, low-pressure H 2 /O 2 /Ar base flames seeded with equal amounts of pre-vaporized 1-, 2-or 3-pentanol. The experimental investigation is supported by kinetic modeling. Here, one single detailed reaction mechanism for the three linear pentanol isomers has been constructed and compared against new and existing experimental data. The model itself was obtained by an open-source reaction model generation software (RMG) and tested against existing ignition delay times, flame speeds and new quantitative experimental results for mole fraction profiles of major and intermediate species.The overall discussion of individual species profiles is guided by the model-based reaction flow analysis focusing on the initial steps of the fuel destruction paths for the three pentanols down to C3-hydrocarbon species. Therefore, the reaction pathways for the initial fuel destruction steps are shown and analyzed using combined experimental and predicted results. Analysis is performed by means of secondary decay products for each of the three pentanols. The kinetic reaction model was successfully tested against available ignition delay time and laminar flame speed data. Comparisons against 23 new quantitative species profiles are presented for each of the pentanol doped flames. In general, a good predictive capability of the detailed model can be noted for all three investigated straight-chain pentanols regarding the mole fraction profiles of major and intermediate species.

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Section: Kinetic Model Generationmentioning

confidence: 93%

1-, 2- and 3-Pentanol combustion in laminar hydrogen flames – A comparative experimental and modeling study

Köhler

Kathrotia

Oßwald

et al. 2015

Combustion and Flame

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“…In this study, the mechanism developed by Sarathy et al [17], Merchant et al [18], and Cai et al [19] were studied for comparison with the experimental results.…”

Section: Methodsmentioning

confidence: 95%

“…Both igniting experimental pressure traces and volume histories from non-igniting experiments are also included in the Supplemental Material. Figure 3 presents the experimental data from the current work and the model predictions based on the Sarathy mechanism [17], the Merchant mechanism [18], and the Cai mechanism [19]. Both constant volume model (Constant Vol.)…”

Section: Ignition Experimentsmentioning

confidence: 98%

“…Previous experiments on iso-butanol have been performed in flames [3][4][5][6][7], jet stirred reactors (JSR) [8], and shock tubes [9][10][11][12][13][14][15], providing kinetics targets for the development of iso-butanol kinetics mechanisms [8][9][10][16][17][18][19]. Experiments have also been performed in rapid compression machines, although the acquired ignition delay times [20] reaction network for iso-butanol oxidation, especially the pathways involving oxygen addition to fuel radicals [22].…”

Section: Introductionmentioning

confidence: 99%

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Intermediate species measurement during iso-butanol auto-ignition

Zhang

et al. 2015

Combustion and Flame

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“…The demand for clean renewable biofuel is increasing as new benchmarks are legislated amid increased pressure to reduce the world's dependence on fossil fuels for energy and chemicals. As a result, biobutanol is in a primary position to become a major game changer in the 21st century . Biobutanol production from biomass has attracted great interest due to its sustainability and superior characteristics compared with those of other biofuels derived from cellulosic materials .…”

Section: Introductionmentioning

confidence: 99%

Physical and chemical properties of isobutanol‐gasoline blends

Yao

Wang

et al. 2014

Env Prog and Sustain Energy

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Blended fuels were obtained with isobutanol contents of 10,20, 30, 40, 50, 60, 70, 80, and 90 vol % with pure gasoline fuel. The physical and chemical properties of isobutanolgasoline blends were investigated using test methods from standards and codes or calculation. No phase separation occurred in isobutanol-gasoline blends at specific temperatures, and isobutanol and gasoline could be blended successfully in every ratio volume. The blended fuel properties were determined, that is, density, low heating value (LHV), 10% volume fraction, kinematic viscosity, stoichiometric air/fuel ratio, octane number, copper corrosiveness, and oxygen content. Moreover, the results of the density, LHV, and octane number of the isobutanol-gasoline blends obtained from calculations can be used as a reference, but the results of the kinematic viscosity cannot.

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Combustion and pyrolysis of iso-butanol: Experimental and chemical kinetic modeling study

Cited by 68 publications

References 79 publications

1-, 2- and 3-Pentanol combustion in laminar hydrogen flames – A comparative experimental and modeling study

1-, 2- and 3-Pentanol combustion in laminar hydrogen flames – A comparative experimental and modeling study

Intermediate species measurement during iso-butanol auto-ignition

Physical and chemical properties of isobutanol‐gasoline blends

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