Exploration of the oxidation chemistry of dimethoxymethane: Jet-stirred reactor experiments and kinetic modeling

Sun, Wenyu; Tao, Tao; Lailliau, Maxence; Hansen, Nils; Yang, Bin; Dagaut, Philippe

doi:10.1016/j.combustflame.2018.04.008

Cited by 51 publications

(61 citation statements)

References 42 publications

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“…In general, the results of those works have shown a reduction of particulate matter emissions. Moreover, to contribute to the knowledge of the DMM conversion chemistry, studies addressing the DMM oxidation at laboratory-scale, under well-characterized conditions, have also been conducted, specifically, in jet-stirred reactors [4,5], flames [6,7], flow reactors [8,9], and shock tube [10]. Dias et al [7] developed a kinetic model in order to simulate their net DMM flames.…”

Section: Introductionmentioning

confidence: 99%

Gas and soot formed in the dimethoxymethane pyrolysis. Soot characterization

Alexandrino

Millera

Bilbao

et al. 2018

Fuel Processing Technology

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The many simultaneous processes occurring within in a diesel engine make difficult a thorough understanding of the mechanisms responsible for reduction of soot and/or NO X when an oxygenated compound is added to diesel fuel. Thus, in order to explore the use of oxygenated compounds as biofuels/additives, it is interesting to study their conversion under well-controlled laboratory conditions, together with kinetic studies that help to interpret and understand the reaction schemes that occur during such processes. The aim of this work has been to contribute to the knowledge of the dimethoxymethane (DMM) pyrolysis, one of the oxygenated compounds proposed in literature as alternative fuel. In this way, the influence of pyrolysis temperature (1075-1475 K) and inlet fuel concentration (33,333 and 50,000 ppm DMM) on the sooting propensity of DMM, soot reactivity and its properties is analyzed. Therefore, this work includes pyrolysis experiments under different experimental conditions, focusing on the gas-phase analysis and the soot formation, together with a gas-phase model. Additionally, the interaction of soot with O 2 and with NO has been studied, and since soot properties are important on the oxidation rate, selected soot samples have been characterized by different instrumental techniques (elemental analysis, physical adsorption with N 2 , Transmission Electron Microscopy (TEM), X-Ray Diffraction (XRD), and Raman spectroscopy).

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Section: Introductionmentioning

confidence: 99%

Gas and soot formed in the dimethoxymethane pyrolysis. Soot characterization

Alexandrino

Millera

Bilbao

et al. 2018

Fuel Processing Technology

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“…From the quantum chemical calculations of the present work, however, no indications for relevance of reaction (R3) could be found. Among reactions (R1) and (R2), Sun et al 18 also found reactions (R1) to be the dominating step with increasing importance for increasing temperature.…”

Section: Statistical Rate Theory Calculations and Master Equation Anamentioning

confidence: 98%

“…Sun et al 18 consider the molecular DMM decomposition channel (R3) as non-negligible besides reactions (R1) and (R2). Accordingly, the relative branching fractions from ref.…”

Section: Statistical Rate Theory Calculations and Master Equation Anamentioning

confidence: 99%

“…One year later, Sun et al 18 published another detailed discussion of DMM combustion. The authors studied the oxidation of DMM in two JSR setups by using photoionization time-of-flight mass spectrometry (PI-TOF-MS), Fourier transform infra-red (FTIR) spectroscopy, and GC/MS for detection (JSR/PI-TOF-MS experiment: T = 460-820 K, p B 1 bar, JSR/FTIR and JSR/GC/MS experiments: T = 500-1200 K, p = 10 bar).…”

Section: Introductionmentioning

confidence: 99%

“…In the literature, the direct formation of CH 3 OH, reaction (R3), and DME, reaction (R4), are also discussed as DMM consumption pathways under pyrolytic conditions: 18,24 CH 3 OCH 2 OCH 3 -CH 3 OH + CH 3 + HCO (R3)…”

Section: Introductionmentioning

confidence: 99%

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Temperature- and pressure-dependent kinetics of the competing C–O bond fission reactions of dimethoxymethane

Golka

Gratzfeld

Weber

et al. 2020

Phys. Chem. Chem. Phys.

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Determining the laminar burning velocity of nitrogen diluted dimethoxymethane ( OME ₁ ) using the heat‐flux burner method: Numerical and experimental investigations

et al. 2020

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Summary Premixed flames play a prominent role in combustion systems such as aircraft combustors, gas turbines and internal combustion engines. Current fuels are also derived from fossil sources, including coal, petrol, gasoline, natural gas or liquefied petroleum gas. Alternatively, liquid and gaseous biofuels, such as ethanol and biodiesel, hydrogen, wood gas or coal gas, can be used with appropriate modifications. Furthermore, the components of oxygenated fuel are known for their reduction of soot particles in diesel combustion processes while having little effect on nitrogen oxide (NOX) emissions. The advantage of C1‐oxygenate dimethoxymethane (OME1, also called “methylal” or DMM) is the lack of CC bonds in their molecular structure. OME1 belongs to the group of oxymethylene ethers (OMEn) with the molecular structure CH3O(CH2O)nCH3 where n = 1 (short molecular structure: C3H8O2). This experimental and numerical study aims to investigate the laminar burning velocity (LBV) of the oxymethylene ether (OMEn, n = 1), the influence of temperature and nitrogen dilution. To our knowledge, no studies have been conducted with regards to nitrogen dilution during the measurements of OME1 burning velocity. In this study, a heat‐flux burner setup was used to investigate the LBV for equivalence ratios from 0.7 to 1.6. The experimental LBV data shows a decreasing nonlinear influence of nitrogen dilution effects for 0% to 70% and increasing linear with preheating up to 373 K. The numerical results were compared with the experiments conducted with simple alcohols (ethanol) and C3 hydrocarbon fuels (propane). Existing numerical reaction mechanisms can only partially reproduce the new experimental data. Finally, a sensitivity analysis was conducted by changing various parameters during the numerical investigations, in order to clarify the discrepancy.

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Exploration of the oxidation chemistry of dimethoxymethane: Jet-stirred reactor experiments and kinetic modeling

Cited by 51 publications

References 42 publications

Gas and soot formed in the dimethoxymethane pyrolysis. Soot characterization

Gas and soot formed in the dimethoxymethane pyrolysis. Soot characterization

Temperature- and pressure-dependent kinetics of the competing C–O bond fission reactions of dimethoxymethane

Determining the laminar burning velocity of nitrogen diluted dimethoxymethane ( OME ₁ ) using the heat‐flux burner method: Numerical and experimental investigations

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Exploration of the oxidation chemistry of dimethoxymethane: Jet-stirred reactor experiments and kinetic modeling

Cited by 51 publications

References 42 publications

Gas and soot formed in the dimethoxymethane pyrolysis. Soot characterization

Gas and soot formed in the dimethoxymethane pyrolysis. Soot characterization

Temperature- and pressure-dependent kinetics of the competing C–O bond fission reactions of dimethoxymethane

Determining the laminar burning velocity of nitrogen diluted dimethoxymethane ( OME 1 ) using the heat‐flux burner method: Numerical and experimental investigations

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Determining the laminar burning velocity of nitrogen diluted dimethoxymethane ( OME ₁ ) using the heat‐flux burner method: Numerical and experimental investigations