Construction of reduced oxidation mechanisms of polyoxymethylene dimethyl ethers (PODE1–6) with consistent structure using decoupling methodology and reaction rate rule

Niu, Bo; Chang, Yachao; Duan, Huiquan; Dong, Xue; Wang, Pengzhi

doi:10.1016/j.combustflame.2021.111534

Cited by 26 publications

(19 citation statements)

References 43 publications

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“…In general, long-chain OMEs (OME3-5) are completely consumed at lower temperatures compared to OME0-2, hence a lower number of oxymethylene ether groups correlates with higher reaction temperatures, i.e., lower reactivity. This observation directly corresponds to the ignition delay time [5,16,34,35]. It is also notable that OME2 is tending to react more like DME and OME1 for stochiometric conditions of 0.8 and 1.2, while for very fuel rich conditions (ϕ=2.0), the reaction behaviour is similar to OME3-5.…”

Section: Comparison Of the Complementary Reactorsmentioning

confidence: 65%

“…The ignition delay time is thereby very sensitive to the stoichiometry [37]. Niu et al have recently published a paper investigating the ignition delay times for OME1-6 under different pressures and stoichiometry [35]. They have shown that the discrepancy in ignition delay times between two adjacent OMEn is getting smaller with the length of the OME.…”

Section: Comparison Of the Complementary Reactorsmentioning

confidence: 99%

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Oxidation of oxymethylene ether (OME0−5): An experimental systematic study by mass spectrometry and photoelectron photoion coincidence spectroscopy

Gaiser

Bierkandt

Oßwald

et al. 2022

Fuel

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Section: Comparison Of the Complementary Reactorsmentioning

confidence: 65%

Section: Comparison Of the Complementary Reactorsmentioning

confidence: 99%

Oxidation of oxymethylene ether (OME0−5): An experimental systematic study by mass spectrometry and photoelectron photoion coincidence spectroscopy

Gaiser

Bierkandt

Oßwald

et al. 2022

Fuel

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“…For instance, the cetane number of OME 3 to OME 5 is in the range of 72-93 (Lautenschütz et al, 2016;Deutsch et al, 2017) and the flash, boiling and melting points are comparable to those of diesel fuel (Zheng et al, 2013;Omari et al, 2019). These suitable characteristics explain the recent research interest in this specific group of oxygenated fuels in the field of kinetic mechanism development (Sun et al, 2017;He et al, 2018;Cai et al, 2019;Li et al, 2020;Bai et al, 2021;Niu et al, 2021), their application in engine simulations (Lin et al, 2019;Lv et al, 2019;Ren et al, 2019) or for different synthesis methods (Gierlich et al, 2020;Klokic et al, 2020), and the assessment of the overall carbon impact (Mahbub et al, 2019;Bokinge et al, 2020). The application of oxymethylene ethers in engines in combination with their emission propensity has been investigated in several studies (Pellegrini et al, 2013;Barro et al, 2018;Huang et al, 2018;Liu et al, 2019;Ren et al, 2019;LeBlanc et al, 2020;Parravicini et al, 2020;Pélerin et al, 2020), while fewer investigations have been conducted, notably, into soot formation for pure or blended OMEs in canonical flames (Ferraro et al, 2021;Tan et al, 2021).…”

Section: Introductionmentioning

confidence: 94%

Numerical Investigation on the Effect of the Oxymethylene Ether-3 (OME3) Blending Ratio in Premixed Sooting Ethylene Flames

et al. 2021

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Synthetic fuels, especially oxygenated fuels, which can be used as blending components, make it possible to modify the emission properties of conventional fossil fuels. Among oxygenated fuels, one promising candidate is oxymethylene ether-3 (OME3). In this work, the sooting propensity of ethylene (C2H4) blended with OME3 is numerically investigated on a series of laminar burner-stabilized premixed flames with increasing amounts of OME3, from pure ethylene to pure OME3. The numerical analysis is performed using the Conditional Quadrature Method of Moments combined with a detailed physico-chemical soot model. Two different equivalence ratios corresponding to a lightly and a highly sooting flame condition have been investigated. The study examines how different blending ratios of the two fuels affect soot particle formation and a correlation between OME3 blending ratio and corresponding soot reduction is established. The soot precursor species in the gas-phase are analyzed along with the soot volume fraction of small nanoparticles and large aggregates. Furthermore, the influence of the OME3 blending on the particle size distribution is studied applying the entropy maximization concept. The effect of increasing amounts of OME3 is found to be different for soot nanoparticles and larger aggregates. While OME3 blending significantly reduces the amount of larger aggregates, only large amounts of OME3, close to pure OME3, lead to a considerable suppression of nanoparticles formed throughout the flame. A linear correlation is identified between the OME3 content in the fuel and the reduction in the soot volume fraction of larger aggregates, while smaller blending ratios may lead to an increased number of nanoparticles for some positions in the flame for the richer flame condition.

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“…The validation targets are predicted successfully for IDT, but large deviations can be observed for laminar burning velocities and mole fraction profiles in a premixed laminar flame. Niu et al 92 developed a reduced model for OME 3−6 , using the OME 2−4 model from the work of Cai et al 87 First, global sensitivity analysis and pathway analysis were performed. Second, a skeletal fuelspecific submechanism was generated.…”

Section: Considerations On the Reactionmentioning

confidence: 99%

A Mini-Review on the Advances in the Kinetic Understanding of the Combustion of Linear and Cyclic Oxymethylene Ethers

Fenard

Vanhove

2021

Energy Fuels

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Oxymethylene ethers are valuable candidate e-fuels and, therefore, represent an important asset in the current energy transition. As such, the interest into predicting their combustion properties has grown significantly over the past decade. A detailed review of the existing kinetic studies of their combustion is presented, highlighting that the major part of the fundamental studies has been dedicated to dimethoxymethane (or OME 1 ). This molecule has served as a model molecule to elaborate rate rules toward predictive models of longer linear or cyclic oligomers, and detailed analysis of the existing kinetic models and their performance permits elaborating recommendations on the reaction classes to include any existing rate constant data. The current state of the art suggests that additional work is needed on precise determination of rate constants for hydrogen atom abstractions, and on experimental and theoretical studies of the longer linear, branched, and cyclic oligomers.

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Construction of reduced oxidation mechanisms of polyoxymethylene dimethyl ethers (PODE1–6) with consistent structure using decoupling methodology and reaction rate rule

Cited by 26 publications

References 43 publications

Oxidation of oxymethylene ether (OME0−5): An experimental systematic study by mass spectrometry and photoelectron photoion coincidence spectroscopy

Oxidation of oxymethylene ether (OME0−5): An experimental systematic study by mass spectrometry and photoelectron photoion coincidence spectroscopy

Numerical Investigation on the Effect of the Oxymethylene Ether-3 (OME3) Blending Ratio in Premixed Sooting Ethylene Flames

A Mini-Review on the Advances in the Kinetic Understanding of the Combustion of Linear and Cyclic Oxymethylene Ethers

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