A comparative laser absorption and gas chromatography study of low-temperature n-heptane oxidation intermediates

Ferris, Alison M.; Streicher, Jesse W.; Susa, Adam J.; Davidson, David F.; Hanson, Ronald K.

doi:10.1016/j.proci.2018.05.018

Cited by 17 publications

(6 citation statements)

References 18 publications

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“…Uncertainties associated to the scanned-wavelength measurements were determined using the RSS of the Voigt fit to the absorbance trace recorded and detailed in the literature [29].…”

Section: Uncertainty Quantificationmentioning

confidence: 99%

“…In addition to the DCS, two separate laser diagnostic systems, shown in figure 1, were employed simultaneously to monitor the reaction. A scanned-wavelength diagnostic for water was used to measure a water absorption transition at 4029.5 cm −1 using a wavelength-tuned interband cascade laser (ICL) with a scan repetition rate of 5 kHz [30,31]. Secondly, a fixedwavelength laser diagnostic for propyne detection was used at 2999.55 cm −1 using an additional ICL.…”

Section: Supporting Laser Diagnosticsmentioning

confidence: 99%

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Dual-comb spectroscopy for high-temperature reaction kinetics

Pinkowski

Ding

Strand

et al. 2020

Meas. Sci. Technol.

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In the current study, a quantum-cascade-laser-based dual-comb spectrometer (DCS) was used to paint a detailed picture of a 1.0 ms high-temperature reaction between propyne and oxygen. The DCS interfaced with a shock tube to provide pre-ignition conditions of 1225 K, 2.8 atm, and 2% p-C3H4/18% O2/Ar. The spectrometer consisted of two free-running, non-stabilized frequency combs each emitting at 179 wavelengths between 1174 and 1233 cm -1 . A free spectral range, , of 9.86 GHz and a difference in comb spacing, Δ , of 5 MHz, enabled a theoretical time resolution of 0.2 µs but the data was time-integrated to 4 µs to improve SNR. The accuracy of the spectrometer was monitored using a suite of independent laser diagnostics and good agreement observed. Key challenges remain in the fitting of available high-temperature spectroscopic models to the observed spectra of a post-ignition environment.

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“…Uncertainties associated to the scanned-wavelength measurements were determined using the RSS of the Voigt fit to the absorbance trace recorded and detailed in the literature [29].…”

Section: Uncertainty Quantificationmentioning

confidence: 99%

Section: Supporting Laser Diagnosticsmentioning

confidence: 99%

Dual-comb spectroscopy for high-temperature reaction kinetics

Pinkowski

Ding

Strand

et al. 2020

Meas. Sci. Technol.

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show abstract

“…The ability of the FID to count carbon atoms has been validated , and is the key to estimating the concentration of various hydrocarbon classifications in the sample, even for an unknown fuel sample or mixture. Since the response scales linearly with the number of carbon atoms, all analytes with the same molecular carbon count should show a similar response.…”

Section: Methodsmentioning

confidence: 99%

Evaluation of Chemical Functional Group Composition of Jet Fuels Using Two-Dimensional Gas Chromatography

et al. 2023

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The growing interest in fuel property prediction models for simplification of fuel characterization has led to techniques for evaluating the chemical functional group compositions of fuels and mixtures as lowdimensional representations of the more detailed complete fuel composition. A new technique for quantitatively evaluating the UNIFAC group composition, chosen for its predictive versatility, from twodimensional gas chromatography (GC × GC) analysis of complex real and alternative jet fuels is discussed. GC × GC analysis provides a more detailed and comprehensive chemical composition for the extraction of chemical functional groups when compared to optical spectroscopy-based techniques like Fourier transform infrared and Raman spectroscopy. Furthermore, the operating cost is lower and GC × GC analysis is more direct than the NMR spectroscopic evaluation of functional groups. The conversion of GC × GC, time-of-flight mass spectrometry (TOF-MS), and flame ionization detection (FID) analysis data to UNIFAC group composition is done with a new method and software tool developed in this work. The tool can be decoupled from the fuel analysis method, used independently with other methods, and applied to already available fuel composition databases. Using GC × GC combined with TOF-MS and FID analysis, the UNIFAC group compositions of eleven different complex jet fuels are demonstrated as consisting of 10 groups of lower dimensional yet chemically significant features for data science prediction of fuel properties.

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“…The stabilization of the excited intermediate is facilitated by an increase in the total pressure. In [8], lowtemperature intermediate products of n-heptane oxidation (760 K, 4.9 аtm) were studied by laser absorption and gas chromatography methods. The results obtained using combined diagnostics provide information on the kinetics of low-temperature oxidation of n-heptane.…”

Section: Introductionmentioning

confidence: 99%

Effect of the Composition of a Manganese-Containing Polymer Catalyst on the Kinetics of the Oxidation Reaction of N-Heptane With Molecular Oxygen

Isazade¹,

Mammadova²,

Asadov³

et al. 2022

AChJ

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Catalysts with manganese nanoparticles (5 and 10 wt %) immobilized on poly-4-vinylpyridine were prepared. When interacting with molecular oxygen, the catalyst forms active oxygen, which is involved in the low-temperature oxidation of n-heptane. These catalyst compositions have been used to oxidize n-heptane with pure oxygen to give alcohols, aldehydes and ketones. Oxidation of n-heptane was carried out in the temperature range 303-383 K, molar ratios of heptane:oxygen = 1:3.38, and at atmospheric pressure. It has been found that the non-crosslinked (MnP4VP polymer poly-4-vinylpyridine) and N,N-methylene-bis-acrylamide-crosslinked MnP4VP/MBAA metal-polymer catalyst containing 5 wt % Mn2+ exhibits the highest activity in n-heptane oxidation reactions. The kinetic parameters of the reaction of n-heptane oxidation with oxygen at low temperatures were studied using a kinetic model based on the heptane conversion data. The kinetic model was compiled on the basis of experimental data: heptane:oxygen = 1:3.38 at atmospheric pressure using Mn (wt. 5%) P4VP/MBAA in the temperature range 303-383 K. Within the framework of the chosen kinetic model effective rate constants of the oxidation reaction with the formation of alcohols was calculated

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A comparative laser absorption and gas chromatography study of low-temperature n-heptane oxidation intermediates

Cited by 17 publications

References 18 publications

Dual-comb spectroscopy for high-temperature reaction kinetics

Dual-comb spectroscopy for high-temperature reaction kinetics

Evaluation of Chemical Functional Group Composition of Jet Fuels Using Two-Dimensional Gas Chromatography

Effect of the Composition of a Manganese-Containing Polymer Catalyst on the Kinetics of the Oxidation Reaction of N-Heptane With Molecular Oxygen

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