Flame structure and kinetic studies of carbon dioxide-diluted dimethyl ether flames at reduced and elevated pressures

Liu, Dong; Santner, Jeffrey; Togbé, Casimir; Felsmann, Daniel; Koppmann, Julia; Lackner, Alexander; Yang, Xiong; Shen, Xiaobo; Ju, Yiguang; Kohse‐Höinghaus, Katharina

doi:10.1016/j.combustflame.2013.06.032

Cited by 101 publications

(57 citation statements)

References 72 publications

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“…HPMF is already included in several models for low-temperature DME oxidation, 3,6,16,24,33,[47][48] however until now its existence has not been clearly proven experimentally.…”

Section: Detection and Identificationmentioning

confidence: 99%

“…18,22,25 Given its great application potential and the simplicity in molecular structure, the hightemperature combustion chemistry of DME has also been extensively studied. [31][32][33][34][35][36][37][38][39][40][41][42][43][44][45][46][47] Because of the importance of low-temperature chemistry in determining fuel effects in autoignition, the present paper focuses on the key reactions and intermediates of the low-temperature regime, and the results of the high-temperature chemistry studies will not be reviewed here.…”

Section: Introductionmentioning

confidence: 99%

“…Recently, various follow-up models that include updated elementary rate coefficients or thermodynamic data have been proposed. 16,[24][25][47][48] According to these models, at low temperatures O 2 can add to the …”

Section: Introductionmentioning

confidence: 99%

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Detection and Identification of the Keto-Hydroperoxide (HOOCH₂OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether

et al. 2015

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In this paper we report the detection and identification of the keto-hydroperoxide (hydroperoxymethyl formate, HPMF, HOOCH 2 OCHO) and other partially oxidized intermediate species arising from the low-temperature (540 K) oxidation of dimethyl ether (DME). These observations were made possible by coupling a jet-stirred reactor with molecular-beam sampling capabilities, operated near atmospheric pressure, to a reflectron time-of-flight mass spectrometer that employs single-photon ionization via tunable synchrotron-generated vacuum-ultraviolet radiation. Based on experimentally observed ionization thresholds and fragmentation appearance energies, interpreted with the aid of ab initio calculations, we have identified HPMF and its

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“…HPMF is already included in several models for low-temperature DME oxidation, 3,6,16,24,33,[47][48] however until now its existence has not been clearly proven experimentally.…”

Section: Detection and Identificationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Detection and Identification of the Keto-Hydroperoxide (HOOCH₂OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether

et al. 2015

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“…Recent experimental studies of DME combustion also include a flame speed and flame speciation study by Liu et al [38]. The effect of diluting DME flames with 20% CO 2 was studied, and flame speeds over a range of pressures were reported.…”

Section: Introductionmentioning

confidence: 99%

An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures

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Somers

O’Toole

et al. 2015

Combustion and Flame

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The development of accurate chemical kinetic models capable of predicting the combustion of methane and dimethyl ether in common combustion environments such as compression ignition engines and gas turbines is important as it provides valuable data and understanding of these fuels under conditions that are difficult and expensive to study in the real combustors. In this work, both experimental and chemical kinetic model-predicted ignition delay time data are provided covering a range of conditions relevant to gas turbine environments (T = 600 − 1600 K, p = 7 − 41 atm, φ = 0.3, 0.5, 1.0, and 2.0 in 'air' mixtures). The detailed chemical kinetic model (Mech 56.54) is capable of accurately predicting this wide range of data, and it is the first mechanism to incorporate high-level rate constant measurements and calculations where available for the reactions of DME. This mechanism is also the first to apply a pressure-dependent treatment to the low-temperature reactions of DME. It has been validated using available literature data including flow reactor, jet-stirred reactor, shock-tube ignition delay times, shock-tube speciation, flame speed, and flame speciation data. New ignition delay time measurements are presented for methane, dimethyl ether, and their mixtures; these data were obtained using three different shock tubes and a rapid compression machine. In addition to the DME/CH 4 blends, high-pressure data for pure DME and pure methane were also obtained. Where possible, the new * address:

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“…Meanwhile, lots of studies have also been conducted to investigate the effects of buffer gases on the autoignition of DME using both ICEs and fundamental combustion facilities [15][16][17][18][19][20][21], but they only highlight the overall effects of buffer gas composition. Isolating as much as possible the effects of buffer gas composition will help to understand the specific impact mechanism.…”

Section: Introductionmentioning

confidence: 99%

Effects of Buffer Gas Composition on Autoignition of Dimethyl Ether

et al. 2015

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Abstract:Experimental and numerical studies are conducted on the thermal, chemical and dilution effects of buffer gas composition on autoignition of dimethyl ether (DME). The buffer gases considered are nitrogen (N2), a mixture of N2 and argon (Ar) at a mole ratio of 50%/50% and a mixture of Ar and carbon dioxide (CO2) at a mole ratio of 61.2%/38.8%. Experiments are performed using a rapid compression machine (RCM) at compressed pressure of 10 bar, equivalence ratio (φ) of 1, and compressed temperature from 670 K to 795 K. The N2 dilution ratio considered ranges from 36.31% to 55.04%. The experimental results show that buffer gas composition has little impact on the first-stage ignition delay. However, significant differences in the total ignition delay as a function of buffer gas composition are observed in the negative temperature coefficient (NTC) region. Compared to N2, N2/Ar (50%/50%) mixture decreases the total ignition delay by 31%. The chemical effects of buffer gas composition on the first-stage and total ignition delays are negligible. With increasing N2 dilution ratio, the first-stage ignition delay slightly increases, while a significant increase in the total ignition delay is observed. Moreover, the NTC behavior of total ignition delay is noted to become more pronounced at high N2 dilution ratio. The heat release during the first-stage ignition decreases as N2 dilution ratio increases. Results of OPEN ACCESSEnergies 2015, 8 10199 numerical simulations with the Zhao DME mechanism over a wider range of temperature show good agreement with that of experiments. Further numerical simulations are conducted using pure N2, Ar and CO2 as buffer gases. Results indicate that the thermal effects are the dominant factor in low temperature and NTC regions. The chemical effects become pronounced in the NTC region, and the chemical effect of CO2 exceeds the thermal effect at the compressed temperature higher than 880 K.

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Flame structure and kinetic studies of carbon dioxide-diluted dimethyl ether flames at reduced and elevated pressures

Cited by 101 publications

References 72 publications

Detection and Identification of the Keto-Hydroperoxide (HOOCH₂OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether

Detection and Identification of the Keto-Hydroperoxide (HOOCH₂OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether

An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures

Effects of Buffer Gas Composition on Autoignition of Dimethyl Ether

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Flame structure and kinetic studies of carbon dioxide-diluted dimethyl ether flames at reduced and elevated pressures

Cited by 101 publications

References 72 publications

Detection and Identification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether

Detection and Identification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether

An ignition delay and kinetic modeling study of methane, dimethyl ether, and their mixtures at high pressures

Effects of Buffer Gas Composition on Autoignition of Dimethyl Ether

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Product

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Detection and Identification of the Keto-Hydroperoxide (HOOCH₂OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether

Detection and Identification of the Keto-Hydroperoxide (HOOCH₂OCHO) and Other Intermediates during Low-Temperature Oxidation of Dimethyl Ether