Optical properties and pyrolysis of shock-heated gas-phase anisole

Zabeti, S.; Aghsaee, M.; Fikri, Mustapha; Welz, Oliver; Schulz, Christof

doi:10.1016/j.proci.2016.06.156

Cited by 28 publications

(15 citation statements)

References 24 publications

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“…Anisole (C 6 H 5 OCH 3 ) has recently been identified as a promising fluorescence tracer for fuel/air mixing studies based on laser‐induced fluorescence (LIF) . For reliable and quantitative application of anisole LIF, the photophysical properties of anisole have been investigated in detail. However, when used as a tracer, the kinetics of anisole decomposition should be known to derive reliable and quantitative quantities.…”

Section: Introductionmentioning

confidence: 99%

A Shock Tube and Modeling Study about Anisole Pyrolysis Using Time-Resolved CO Absorption Measurements

Shu

Herzler

Peukert

et al. 2017

Int. J. Chem. Kinet.

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The pyrolysis of anisole (C 6 H 5 OCH 3 ) was studied behind reflected shock waves via highly sensitive absorption measurements of CO concentration using a rotational transition in the fundamental vibrational band near 4.7 µm. Time-resolved CO mole fractions were monitored in shock-heated C 6 H 5 OCH 3 /Ar mixtures between 1000 and 1270 K at 1.3-1.6 bar. The decomposition of C 6 H 5 OCH 3 proceeds exclusively via homolytic dissociation, with reaction rate k 1 , forming methyl (CH 3 ) and phenoxy (C 6 H 5 O) radicals. The subsequent decomposition of C 6 H 5 O by ring rearrangement and bond dissociation yields CO. To determine the rate constant k 2 of C 6 H 5 O decomposition avoiding secondary reactions, allyl phenyl ether (C 6 H 5 OC 3 H 5 ) was used as an alternative source for C 6 H 5 O. Its decomposition was studied between 970 and 1170 K at ß1.4 bar. The potential-energy surface of C 6 H 5 O dissociation has been reevaluated at the G4 level of theory. Rate constants determined from unimolecular rate theory are in good agreement with the present experiments. However, the obtained rates k 2 = 9.1 × 10 13 exp(−220.3 kJ mol −1 /RT)s −1 are significantly higher than those reported before (factor 6, 2, and 1.5 faster than those data reported by Lin and Lin, J. Phys. Chem. 1986, 90, 425-431;Frank et al., 1994; Carstensen and Dean, 2012, respectively). Good agreement was found between the measured CO concentration profiles and simulations based on the mechanism of Nowakowska et al. after substituting k 2 by the value obtained from experiments on C 6 H 5 OC 3 H 5 in this work. The

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Section: Introductionmentioning

confidence: 99%

A Shock Tube and Modeling Study about Anisole Pyrolysis Using Time-Resolved CO Absorption Measurements

Shu

Herzler

Peukert

et al. 2017

Int. J. Chem. Kinet.

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“…The tracer is usually added to a fuel, so that the thermo-physical and chemical properties of the tracer and the fuel should closely match to avoid a bias in the mixture formation, ignition, and combustion processes. Possible tracer decomposition, i.e., that the tracer may start to react, e.g., during compression in an IC engine while the fuel is not yet consumed, is a major problem that might be encountered in these measurements [1,7]. In principle, the auto-ignition temperature gives a rough indication of the chemical stability of fuel and tracer.…”

Section: Introductionmentioning

confidence: 99%

“…Measurements of tracer (e.g., acetone) consumption utilized different analytic methods ranging from pressure increase to concentration measurements with gas chromatography, see, e.g., [9]. Kinetic studies in a shock tube exist for some tracers, but the conditions studied usually deviate from those present in IC engines and calibration cells [7]. Thus, in situ measurements during calibration are favorable to identify tracer consumption.…”

Section: Introductionmentioning

confidence: 99%

“…Furthermore, with this technique, the reactions of toluene and 3-pentanone were studied in a calibration cell up to 3 MPa and 773 K for varied residence times of 1 s to 5 s [8]. Higher temperatures are usually studied in shock tubes [7,12], allowing for the direct measurement of ignition delays of fuels and fuel-tracer mixtures as well as comparison with kinetic simulations [12].…”

Section: Introductionmentioning

confidence: 99%

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Stability Analysis of the Fluorescent Tracer 1-Methylnaphthalene for IC Engine Applications by Supercontinuum Laser Absorption Spectroscopy

Fendt

Retzer

Ulrich

et al. 2020

Sensors

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1-methylnaphthalene (1-MN) is a widely used laser-induced fluorescence (LIF) tracer for planar imaging of mixture formation and temperature distributions in internal combustion (IC) engines. As the LIF measurement results can be biased by partial tracer oxidation, the conversion of 1-MN and the base fuel isooctane is analyzed in a calibration cell. First, measurements using supercontinuum laser absorption spectroscopy (SCLAS) are presented in order to quantify the conversion by detection of the produced H2O mole fraction. A single mode fiber (SMF) coupled setup is presented, with the fiber core acting as entrance slit of a Czerny-Turner spectrometer. Dependencies on residence time and global air-fuel ratio are presented at pressures up to 1.5 MPa and temperatures up to 900 K, at which distinct tracer and fuel consumption is observed. Signal loss due to intense beam steering was partially compensated using a self-stabilizing double-pass setup with a retroreflector.

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“…Alternatively, absorption measurements with broadband light sources have been used for multi-species detection, but typical single-path absorption schemes provided limited sensitivity and selectivity [8][9][10]. In contrast, ultrasensitive broadband absorption techniques, such as intracavity absorption spectroscopy (ICAS), are limited in time resolution [11].…”

Section: Introductionmentioning

confidence: 99%

Monitoring formaldehyde in a shock tube with a fast dual-comb spectrometer operating in the spectral range of 1740–1790 cm–1

Fjodorow

Allmendinger²,

Horvath³

et al. 2020

Appl. Phys. B

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A dual-frequency-comb spectrometer based on two quantum-cascade lasers is applied to kinetics studies of formaldehyde (HCHO) in a shock tube. Multispectral absorption measurements are carried out in a broad spectral range of 1740–1790 cm–1 at temperatures of 800–1500 K and pressures of 2–3 bar. The formation of HCHO from thermal decomposition of 1,3,5-trioxane (C3H6O3, 0.9% diluted in argon) and the subsequent oxidation of formaldehyde is monitored with a time resolution of 4 µs. The rate coefficient of the decomposition of C3H6O3 (i.e., HCHO formation) is found to be k1 = 6.0 × 1015 exp(− 205.58 kJ mol−1/RT) s–1. For the oxidation studies, mixtures of 0.36% C3H6O3 and 1% O2 in argon are used. The information of all laser lines, along with the consideration of individual signal variance of each line, is utilized for kinetic and spectral analysis. The experimental kinetic profiles of HCHO are compared with simulations based on the mechanisms of Zhou et al. (Combust Flame, 197:423–438, 2018) and Cai and Pitsch (Combust Flame, 162:1623–1637, 2015).

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Optical properties and pyrolysis of shock-heated gas-phase anisole

Cited by 28 publications

References 24 publications

A Shock Tube and Modeling Study about Anisole Pyrolysis Using Time-Resolved CO Absorption Measurements

A Shock Tube and Modeling Study about Anisole Pyrolysis Using Time-Resolved CO Absorption Measurements

Stability Analysis of the Fluorescent Tracer 1-Methylnaphthalene for IC Engine Applications by Supercontinuum Laser Absorption Spectroscopy

Monitoring formaldehyde in a shock tube with a fast dual-comb spectrometer operating in the spectral range of 1740–1790 cm–1

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