| 1. |
- Alekseev, Vladimir A., et al.
(author)
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Data consistency of the burning velocity measurements using the heat flux method : Hydrogen flames
- 2018
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In: Combustion and Flame. - : Elsevier BV. - 0010-2180. ; 194, s. 28-36
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Journal article (peer-reviewed)abstract
- Consistent datasets of experiments are highly important both for validation and optimization of kinetic mechanisms. An analysis of the data consistency of all available burning velocity measurements of hydrogen flames using the heat flux method at atmospheric pressure is performed in the present work. A comparison of many experiments performed in several laboratories with different types of dilution by various inerts was guided by kinetic modeling using two kinetic mechanisms. Konnov (2015) and ELTE (Varga et al., 2016) models demonstrated a uniform trend at all conditions tested: the second mechanism predicts lower burning velocities which are in better agreement with the heat flux measurements from different groups. Some experimental datasets, however, significantly disagree with one or both models; these conditions were revisited experimentally in the present work. The laminar burning velocities of H2 + O2 + N2 mixtures with 7.7% O2 in O2 + N2 oxidizer and of 85:15 (H2 + N2) and 25:75 (H2 + N2) fuel mixtures with 12.5:87.5 (O2 + He) oxidizer have been measured. It was concluded that the results of Hermanns et al. (2007) are somewhat higher than those of other studies at similar conditions and a possible reason of this disagreement was suggested. Analysis of the measurements performed by Goswami et al. (2015) on a high-pressure installation suggests an equipment malfunction that led to the erroneous values of the equivalence ratio for hydrogen and syngas flames. The ELTE mechanism developed using an optimization approach shows a very good performance in predicting laminar burning velocities of hydrogen flames measured using the heat flux method.
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| 2. |
- Alekseev, Vladimir A., et al.
(author)
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High-temperature oxidation of acetylene by N2O at high Ar dilution conditions and in laminar premixed C2H2 + O2 + N2 flames
- 2022
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In: Combustion and Flame. - : Elsevier BV. - 0010-2180. ; 238
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Journal article (peer-reviewed)abstract
- High-temperature oxidation of acetylene (C2H2) is studied behind reflected shock waves and in laminar flames. Atomic resonance absorption spectroscopy (ARAS) is employed to record oxygen atom concentration profiles for the mixture of 10 ppm C2H2 + 10 ppm N2O + argon and temperatures from 1688 K to 3179 K, extending the range of such data available from the literature. Laminar burning velocity of C2H2 in a diluted oxidizer with 11–13% O2 in the O2 + N2 mixture is measured using the heat flux method and compared to the literature data for the 13% O2 mixture. An updated detailed kinetic mechanism is presented to model and analyze the results, and the selection of rate constants in the C2H2 sub-mechanism, whose importance was identified by the sensitivity analysis, is discussed. The performance of the new model is compared against several reaction schemes available from the literature, and kinetic differences between them are outlined. The new shock-wave data helped to improve the performance of the present model compared to its previous version. For the laminar flames, a particular importance of reactions involving C2H3 is identified, however, the reasons for the observed differences in model predictions are to a large extent located outside the C2H2 sub-mechanism, which were also identified.
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| 3. |
- Alekseev, Vladimir A., et al.
(author)
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Laminar burning velocities of methylcyclohexane + air flames at room and elevated temperatures : A comparative study
- 2018
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In: Combustion and Flame. - : Elsevier BV. - 0010-2180. ; 196, s. 99-107
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Journal article (peer-reviewed)abstract
- Laminar burning velocities of methylcyclohexane + air flames were determined using the heat flux method at atmospheric pressure and initial temperatures of 298–400 K. The measurements were performed on two experimental setups at Lund University and Samara National Research University. Our results obtained at the same initial temperatures are in good agreement. Consistency of the measurements performed at different temperatures was tested employing analysis of the temperature dependence of the burning velocities. This analysis revealed increased scatter in the burning velocity data at some equivalence ratios which may be attributed to the differences in the design of the burners used. New measurements were also compared to available literature data. Reasonably good agreement with the data of Kumar and Sung (2010) was observed at 400 K, with significantly higher burning velocities at the maximum at 353 K as compared to other studies from the literature. Predictions of two detailed reaction mechanisms developed for jet fuels – PoliMi and JetSurF 2.0 were compared with the present generally consistent measurements. The two kinetic models disagreed with each other, with the experimental data being located in between the model predictions. Sensitivity analysis revealed that behavior of the models is largely defined by C0–C2 chemistry. Comparison of the model predictions with the burning velocities of ethylene and methane showed the same trends in over- and under-predictions as for methylcyclohexane + air flames.
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| 4. |
- Brackmann, Christian, et al.
(author)
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Strategy for improved NH2 detection in combustion environments using an Alexandrite laser
- 2017
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In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. - : Elsevier BV. - 1386-1425. ; 184, s. 235-242
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Journal article (peer-reviewed)abstract
- A new scheme for NH2 detection by means of laser-induced fluorescence (LIF) with excitation around wavelength 385 nm, accessible using the second harmonic of a solid-state Alexandrite laser, is presented. Detection of NH2 was confirmed by identification of corresponding lines in fluorescence excitation spectra measured in premixed NH3-air flames and on NH2 radicals generated through NH3 photolysis in a nonreactive flow at ambient conditions. Moreover, spectral simulations allow for tentative NH2 line identification. Dispersed fluorescence emission spectra measured in flames and photolysis experiments showed lines attributed to vibrational bands of the NH2 A2A1 ← X2B1 transition but also a continuous structure, which in flame was observed to be dependent on nitrogen added to the fuel, apparently also generated by NH2. A general conclusion was that fluorescence interferences need to be carefully considered for NH2 diagnostics in this spectral region. Excitation for laser irradiances up to 0.2 GW/cm2 did not result in NH2 fluorescence saturation and allowed for efficient utilization of the available laser power without indication of laser-induced photochemistry. Compared with a previously employed excitation/detection scheme for NH2 at around 630 nm, excitation at 385.7 nm showed a factor of ~ 15 higher NH2 signal. The improved signal allowed for single-shot NH2 LIF imaging on centimeter scale in flame with signal-to-noise ratio of 3 for concentrations around 1000 ppm, suggesting a detection limit around 700 ppm. Thus, the presented approach for NH2 detection provides enhanced possibilities for characterization of fuel-nitrogen combustion chemistry.
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| 5. |
- Capriolo, Gianluca, et al.
(author)
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An experimental and kinetic study of propanal oxidation
- 2018
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In: Combustion and Flame. - : Elsevier BV. - 0010-2180. ; 197, s. 11-21
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Journal article (peer-reviewed)abstract
- Propanal is a critical stable intermediate derived from the oxidation of 1-propanol, a promising alcohol fuel additive. To deepen the knowledge and accurately describe propanal combustion characteristics, new burning velocity measurements at different temperatures were carried out and a new detailed kinetic mechanism for propanal was proposed. Experiments were performed using the heat flux method and compared with literature data. Important discrepancies were noted between the new and available data, and possible reasons were suggested. Flow rate sensitivity analysis highlighted that, as expected, the important reactions influencing the propanal oxidation in flames are pertinent to H2 and CO sub-mechanism. Current mechanism is based on the most recent Konnov model, extended to include propanal chemistry subset. Rate constant parameters were selected based on careful evaluation of experimental and theoretical data available in literature. Model validation included assessment against a large set of combustion experiments obtained at different regimes, i.e. flames, shock tubes, and well stirred reactor, as well as comparison with the semi-detailed (lumped) kinetic mechanism for hydrocarbon and oxygenated fuels from Politecnico di Milano, detailed kinetic model from Veloo et al. and low temperature oxidation of aldehydes kinetic model of Pelucchi et al. The proposed model reproduced experimental burning velocities, ignition delay times, flame structure and JSR data with an overall good fidelity, while it reproduces only qualitatively the species distribution of propanal pyrolysis.
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| 6. |
- Fomin, Alexey, et al.
(author)
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Experimental and modelling study of 1CH2 in premixed very rich methane flames
- 2016
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In: Combustion and Flame. - : Elsevier BV. - 0010-2180. ; 171, s. 198-210
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Journal article (peer-reviewed)abstract
- Stoichiometric and very rich (1.5 ≤ ɸ ≤ 1.9) laminar flat flames of methane have been investigated using nonintrusive laser diagnostics. Premixed CH4 + O2 + N2 flames were stabilized at a pressure of 30 ± 0.3 Torr. Temperature profiles were obtained using laser-induced fluorescence of OH. Absolute concentration profiles of singlet methylene, 1CH2, were measured by intracavity laser absorption spectroscopy. Uncertainties of the relative and absolute concentrations of singlet methylene were evaluated to be about ±10% and ±30%, respectively. These new experimental data were compared with predictions of three detailed kinetic mechanisms: GRI-mech. 3.0, Aramco mech. 1.3, and the model under development in Lund. In the last mechanism 78 rate constants of reactions along the pathway CH3 → 1CH2 → 3CH2 → CH were reviewed and updated. No adjustment or tuning of the rate expressions to accommodate experimental results was attempted. GRI-mech. significantly overpredicts singlet methylene concentrations in all flames. Aramco mech. and the present model are in good agreement with the measurements in stoichiometric flame, while in all rich flames only the present mechanism reproduces spatial profiles of 1CH2. Detailed analysis of the behaviour of these models revealed that omission of the reaction 1CH2 + M = 3CH2 + M is the main reason of the discrepancy between predictions of the Aramco 1.3 and GRI-mech. 3.0 and experimental 1CH2 concentrations in rich flames.
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| 7. |
- Alekseev, Vladimir A., et al.
(author)
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Nitric oxide formation in flames of NH3/DME binary mixtures : Laser-induced fluorescence measurements and detailed kinetic analysis
- 2024
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In: Fuel. - 0016-2361. ; 371
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Journal article (peer-reviewed)abstract
- Binary mixture of ammonia (NH3) and dimethyl ether (DME) has been considered in literature as a potential fuel for practical use. Nitric oxide (NO) is a major product of combustion of NH3-containing fuels, and its formation routes have to be comprehensively studied. In this work, concentration profiles of NO were experimentally measured in laminar axisymmetric flames using planar laser-induced fluorescence. The molar percentage of NH3 in the NH3/DME fuel mixture varied from 10% to 60%. Emission levels of NO have reached as much as around 1% for mixtures with around 50% NH3. NO formation was analyzed with numerical simulations of 1D laminar flames and several detailed kinetic mechanisms. Modeling was performed in Chemkin with the steady-state burner-stabilized and free-propagating planar laminar flame reactor models. It was observed that the most recent versions of the contemporary NH3/DME models are able to reproduce the experiments, and their predictions agree with each other due to similarities in the NH3 submechanisms. Kinetic analysis has revealed some disagreement was observed in terms of how much direct chemical coupling between carbon- and nitrogen-containing species affects NO formation.
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| 8. |
- Alekseev, Vladimir A., et al.
(author)
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Reduced kinetics of NH3/n-heptane : Model analysis and a new small mechanism for engine applications
- 2024
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In: Fuel. - 0016-2361. ; 367
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Journal article (peer-reviewed)abstract
- A compact reduced mechanism covering a wide range of conditions is developed for use in simulations of NH3/n-heptane combustion in engines. Reduction targets were selected after reviewing available experimental studies of NH3 combustion in engines. Ignition, flames and oxidation of NH3/n-heptane mixtures were targeted. Particularly, mixtures with very low molar percentage of n-heptane which are important for the applications were considered. They have been observed to have a distinct ignition behavior. Target quantities also included pollutants with a goal to account for two possible mechanisms of N2O formation in engines, discussed in literature. The reduced mechanism of this study was developed with ant colony reduction method. It consists of 57 species and 159 reactions, and its range of applicability is 10–100 atm pressure and 0–100 % NH3 in the fuel mixture. The performance of the mechanism was found comparable to larger models from literature. Importance of carbon–nitrogen interactions, influence of key reactions in the NH3 subset and effect of CO on N2O formation were analyzed and discussed in terms of the predictive ability of the reduced mechanism of the present study and those available from literature.
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| 9. |
- Thorsen, Lauge S., et al.
(author)
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High pressure oxidation of NH3/n-heptane mixtures
- 2023
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In: Combustion and Flame. - 0010-2180. ; 254
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Journal article (peer-reviewed)abstract
- Oxidation of NH3/n-heptane mixtures at pressures up to 100 atm and temperatures of 400–900 K was characterized experimentally in a laminar flow reactor and a jet-stirred reactor. A detailed chemical kinetic model was developed, updating the hydrogen and amine subsets and introducing a subset for the chemical coupling with emphasis on the NH2+n-heptane reaction. The kinetic model provided a good prediction of the ignition delay times measured in a rapid compression machine by Yu et al. (Combust. Flame 217 (2020) 2–11) as well as the high pressure experimental data obtained in the present work. The results show that it is important to include updated rate constants for NH2 + HO2 and NH2 + n-C7H16 to obtain reliable predictions for ignition and oxidation of NH3/n-heptane mixtures at high pressure. The effectiveness of implementing analogy rules for determining the rate constant of the key reaction NH2 + n-C7H16 was confirmed by the observed results.
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