A Study On Fundamental Combustion Properties of Oxymethylene Ether-2

Author(s):  
John Mburu Ngugi ◽  
Sandra Richter ◽  
Marina Braun-Unkhoff ◽  
Clemens Naumann ◽  
Markus Köhler ◽  
...  

Abstract Oxymethylene ethers (OMEn, n=1-5) are a promising class of synthetic fuels that have the potential to be used as diesel additives or substitutes. A comprehensive understanding of their combustion properties is required for their safe and efficient utilization. In this study, a combined experimental and modeling work on oxidation of OME2 is reported: (i) Ignition delay time measurements of stoichiometric OME2 / synthetic air mixtures diluted 1:5 with nitrogen using the shock tube method at pressures of 1, 4, and 16 bar, and (ii) laminar flame speeds of OME2 / air mixtures using the cone angle method at pressures of 1, 3 and 6 bar. The experimental data obtained have been used for validation of three detailed reaction mechanisms of OME2. The results of ignition delay times showed that OME2 exhibits a two-stage ignition in the lower temperature region. The mechanism from Cai et al. (2020) best predicted the temperature and pressure dependence of ignition delay times. For laminar flame speeds, the experimental data were well matched by the mechanism from Ren et al. (2019) for all the conditions of pressures and equivalence ratios considered. From sensitivity analyses, it was observed that chain reactions involving small radicals, i.e., H, O, OH, HO2, and CH3 control the oxidation of OME2. The results obtained in this work will contribute to a better understanding of the combustion of oxymethylene ethers, and thus, to the design and optimization of burners and engines as well.

2021 ◽  
Author(s):  
John N. Ngugi ◽  
Sandra Richter ◽  
Marina Braun-Unkhoff ◽  
Clemens Naumann ◽  
Markus Köhler ◽  
...  

Abstract Oxymethylene ethers (OMEn, n = 1–5) are a promising class of synthetic fuels that have the potential to be used as additives or substitutes to diesel in compression ignition engines. A comprehensive understanding of their combustion properties is required for their safe and efficient utilization. In this study, the results of a combined experimental and modeling work on oxidation of OME2 are reported: (i) Ignition delay time measurements of stoichiometric OME2 / synthetic air mixtures diluted 1:5 with nitrogen using the shock tube method at pressures of 1, 4, and 16 bar, and (ii) laminar flame speeds of OME2 / air mixtures using the cone angle method at ambient and elevated pressures of 3 and 6 bar. The experimental data sets obtained have been used for validation of a detailed reaction mechanisms of OME2. The results of ignition delay times showed that OME2 exhibits a two-stage ignition in the lower temperature region. There is a good match of the measured data compared to the predicted ones using three reaction mechanisms from the literature. The mechanism from Cai et al. (2020) best predicted the temperature and pressure dependence of ignition delay times. For laminar flame speeds, the experimental data were well matched by the mechanism from Ren et al. (2019) at p = 1, 3, and 6 bar and for all equivalence ratios considered. From sensitivity analyses calculations, it was observed that chain reactions involving small radicals, i.e., H, O, OH, HO2, and CH3 control the oxidation of OME2. The comparison of the results of this work and our previous work (Ngugi et al. (2021)) on OME1 show that these two fuels have similar oxidation pathways. The results obtained in this work will contribute to a better understanding of the combustion of oxymethylene ethers, and thus, to the design and optimization of burners and engines as well.


Author(s):  
Torsten Methling ◽  
Sandra Richter ◽  
Trupti Kathrotia ◽  
Marina Braun-Unkhoff ◽  
Clemens Naumann ◽  
...  

Over the last years, global concerns about energy security and climate change have resulted in many efforts focusing on the potential utilization of non-petroleum-based, i.e. bio-derived, fuels. In this context, n-butanol has recently received high attention because it can be produced sustainably. A comprehensive knowledge about its combustion properties is inevitable to ensure an efficient and smart use of n-butanol if selected as a future energy carrier. In the present work, two major combustion characteristics, here laminar flame speeds applying the cone-angle method and ignition delay times applying the shock tube technique, have been studied, experimentally and by modeling exploiting detailed chemical kinetic reaction models, at ambient and elevated pressures. The in-house reaction model was constructed applying the RMG-method. A linear transformation method recently developed, linTM, was exploited to generate a reduced reaction model needed for an efficient, comprehensive parametric study of the combustion behavior of n-butanol/hydrocarbon mixtures. All experimental data were found to agree with the model predictions of the in-house reaction model, for all temperatures, pressures, and fuel-air ratios. On the other hand, calculations using reaction models from the open literature mostly overpredict the measured ignition delay times by about a factor of two. The results are compared to those of ethanol, with ignition delay times very similar and laminar flame speeds of n-butanol slightly lower, at atmospheric pressure.


Author(s):  
Torsten Methling ◽  
Sandra Richter ◽  
Trupti Kathrotia ◽  
Marina Braun-Unkhoff ◽  
Clemens Naumann ◽  
...  

Over the last years, global concerns about energy security and climate change have resulted in many efforts focusing on the potential utilization of nonpetroleum-based, i.e., bioderived, fuels. In this context, n-butanol has recently received high attention because it can be produced sustainably. A comprehensive knowledge about its combustion properties is inevitable to ensure an efficient and smart use of n-butanol if selected as a future energy carrier. In the present work, two major combustion characteristics, here laminar flame speeds applying the cone-angle method and ignition delay times applying the shock tube technique, have been studied, experimentally, and by modeling exploiting detailed chemical kinetic reaction models, at ambient and elevated pressures. The in-house reaction model was constructed applying the reaction model generation (RMG)-method. A linear transformation method recently developed, linTM, was exploited to generate a reduced reaction model needed for an efficient, comprehensive parametric study of the combustion behavior of n-butanol-hydrocarbon mixtures. All experimental data were found to agree with the model predictions of the in-house reaction model, for all temperatures, pressures, and fuel-air ratios. On the other hand, calculations using reaction models from the open literature mostly overpredict the measured ignition delay times by about a factor of two. The results are compared to those of ethanol, with ignition delay times very similar and laminar flame speeds of n-butanol slightly lower, at atmospheric pressure.


Author(s):  
Jürgen Herzler ◽  
Julia Herbst ◽  
Thomas Kick ◽  
Clemens Naumann ◽  
Marina Braun-Unkhoff ◽  
...  

Fuels from low quality feedstock such as biomass and biomass residues are currently discussed with respect to their potential to contribute to a more sustainable electrical power supply. In the present work, we report on the study of generic representative gas mixtures stemming from the gasification of different feedstock, from wood and algae. Two major combustion properties — burning velocities and ignition delay times — were measured for different parameters: (i) for two pressures −1 bar and 3 bar – at a constant preheat temperature T0 = 373 K, to determine burning velocities by applying the cone angle method; and (ii) for elevated pressures — up to 16 bar — in the temperature range between about 1000 and 2000 K, at fuel-equivalence ratios φ of 0.5 and 1.0, to obtain ignition delay times by applying the shock tube method. Additional studies performed in our group on gas mixtures of natural gas, methane, and hydrogen were also taken into account -as major components of biogenic gas mixtures. It was found that the reaction behavior of the wood gasification product (N2, CO, H2, CO2, CH4) is mainly determined by its H2 content, besides CH4; methane determines the kinetic behavior of the algae fermentation product (CH4, CO2, N2) due to its relatively high amount. Detailed chemical kinetic reaction models were used to predict the measured data. The trends and main features were captured by predictions applying different reaction models. The agreement of the experiments and the predictions is dependent on the pressure range.


Author(s):  
Jürgen Herzler ◽  
Julia Herbst ◽  
Thomas Kick ◽  
Clemens Naumann ◽  
Marina Braun-Unkhoff ◽  
...  

Fuels from low quality feedstock such as biomass and biomass residues are currently discussed with respect to their potential to contribute to a more sustainable electrical power supply. In the present work, we report on the study of generic representative gas mixtures stemming from the gasification of different feedstock, from wood and algae. Two major combustion properties—burning velocities and ignition delay times—were measured for different parameters: (i) for two pressures—1 bar and 3 bar—at a constant preheat temperature T0 = 373 K, to determine burning velocities by applying the cone angle method; and (ii) for elevated pressures—up to 16 bar—in the temperature range between about 1000 and 2000 K, at fuel-equivalence ratios φ of 0.5 and 1.0, to obtain ignition delay times by applying the shock tube method. Additional studies performed in our group on gas mixtures of natural gas, methane, and hydrogen were also taken into account as major components of biogenic gas mixtures. It was found that the reaction behavior of the wood gasification product (N2, CO, H2, CO2, CH4) is mainly determined by its H2 content, besides CH4; methane determines the kinetic behavior of the algae fermentation product (CH4, CO2, N2) due to its relatively high amount. Detailed chemical kinetic reaction models were used to predict the measured data. The trends and main features were captured by predictions applying different reaction models. The agreement of the experiments and the predictions is dependent on the pressure range.


2020 ◽  
Vol 143 (7) ◽  
Author(s):  
Van Vang Le ◽  
Anh Tuan Hoang ◽  
Sandro Nižetić ◽  
Aykut I. Ölçer

Abstract Global concerns about CO2 levels in the atmosphere, energy security, and the depletion of fossil fuel supply have been the key motivation to develop bio-based fuel resources, which leads to promising and potential strategies of renewable and carbon-neutral biofuels. Among biofuels being strongly developed, 2,5-dimethylfuran (DMF) is a new alternative biofuel candidate since DMF could be synthesized from available and durable lignocellulosic biomass, as well as DMF's physicochemical properties were found to be similar to those of fossil fuels. Therefore, the comprehensive investigation on DMF is very essential before putting DMF into the commercial scale and the engine application. In this current work, the temporal evolutions of laminar flame characteristics including laminar burning velocities, unstretched flame propagation speed, and Schlieren images were critically reviewed based on the comparison of DMF with other fuels. Besides, flame instabilities were also evaluated in detail. Finally, ignition delay times were thoroughly analyzed with the variation of the initial parameters such as temperature, pressure, and equivalent ratio, suggesting that DMF could become the potential fuel for the spark ignition engine. In the future, the experimental studies on the real engines fueled with DMF should be carefully and completely performed to have a comprehensive evaluation of this promising biofuel class.


Author(s):  
Michael C. Krejci ◽  
Olivier Mathieu ◽  
Andrew J. Vissotski ◽  
Sankaranarayanan Ravi ◽  
Travis G. Sikes ◽  
...  

Laminar flame speeds and ignition delay times have been measured for hydrogen and various compositions of H2/CO (syngas) at elevated pressures and elevated temperatures. Two constant-volume cylindrical vessels were used to visualize the spherical growth of the flame through the use of a schlieren optical setup to measure the laminar flame speed of the mixture. Hydrogen experiments were performed at initial pressures up to 10 atm and initial temperatures up to 443 K. A syngas composition of 50/50 by volume was chosen to demonstrate the effect of carbon monoxide on H2-O2 chemical kinetics at standard temperature and pressures up to 10 atm. All atmospheric mixtures were diluted with standard air, while all elevated-pressure experiments were diluted with a He:O2 ratio of 7:1 to minimize instabilities. The laminar flame speed measurements of hydrogen and syngas are compared to available literature data over a wide range of equivalence ratios, where good agreement can be seen with several data sets. Additionally, an improved chemical kinetics model is shown for all conditions within the current study. The model and the data presented herein agree well, which demonstrates the continual, improved accuracy of the chemical kinetics model. A high-pressure shock tube was used to measure ignition delay times for several baseline compositions of syngas at three pressures across a wide range of temperatures. The compositions of syngas (H2/CO) by volume presented in this study included 80/20, 50/50, 40/60, 20/80, and 10/90, all of which are compared to previously published ignition delay times from a hydrogen-oxygen mixture to demonstrate the effect of carbon monoxide addition. Generally, an increase in carbon monoxide increases the ignition delay time, but there does seem to be a pressure dependency. At low temperatures and pressures higher than about 12 atm, the ignition delay times appear to be indistinguishable with an increase in carbon monoxide. However, at high temperatures the relative composition of H2 and CO has a strong influence on ignition delay times. Model agreement is good across the range of the study, particularly at the elevated pressures.


Author(s):  
N. Slavinskaya ◽  
A. Zizin ◽  
M. Braun-Unkhoff ◽  
C. Lenfers

A semi-detailed kinetic mechanism with 100 species and 816 reactions for ethylene combustion including PAH formation was elaborated. The model includes the C2H5OH sub mechanism combustion as well. This mechanism has in view to be the base of further kinetic schemes of practical fuels (reference fuels). The mechanism was reduced to a skeletal model with 72 species and 580 reactions. The elaborated models were validated on experimental data bases of heat release as well as formation of polyaromatic hydrocarbons and soot in laminar premixed C2H4, C2H4 / C2H5OH flames taken from literature. The calculated ignition delay times, laminar flame speeds, as well as temporal profiles of small and large aromatics and also soot particles are in good agreement with experimental data obtained for pressures 1 – 5 bar, temperatures T0 = 1100 – 2300 K, fuel/oxygen equivalence ratio φ = 0.5 – 2.


Author(s):  
Marina Braun-Unkhoff ◽  
Jens Dembowski ◽  
Jürgen Herzler ◽  
Jürgen Karle ◽  
Clemens Naumann ◽  
...  

In response to the limited resources of fossil fuels as well as to their combustion contributing to global warming through CO2 emissions, it is currently discussed to which extent future energy demands can be satisfied by using biomass and biogenic by-products, e.g., by cofiring. However, new concepts and new unconventional fuels for electric power generation require a re-investigation of at least the gas turbine burner if not the gas turbine itself to ensure a safe operation and a maximum range in tolerating fuel variations and combustion conditions. Within this context, alcohols, in particular, ethanol, are of high interest as alternative fuel. Presently, the use of ethanol for power generation—in decentralized (microgas turbines) or centralized gas turbine units, neat, or cofired with gaseous fuels like natural gas (NG) and biogas—is discussed. Chemical kinetic modeling has become an important tool for interpreting and understanding the combustion phenomena observed, for example, focusing on heat release (burning velocities) and reactivity (ignition delay times). Furthermore, a chemical kinetic reaction model validated by relevant experiments performed within a large parameter range allows a more sophisticated computer assisted design of burners as well as of combustion chambers, when used within computational fluid dynamics (CFD) codes. Therefore, a detailed experimental and modeling study of ethanol cofiring to NG will be presented focusing on two major combustion properties within a relevant parameter range: (i) ignition delay times measured in a shock tube device, at ambient (p = 1 bar) and elevated (p = 4 bar) pressures, for lean (φ = 0.5) and stoichiometric fuel–air mixtures, and (ii) laminar flame speed data at several preheat temperatures, also for ambient and elevated pressure, gathered from literature. Chemical kinetic modeling will be used for an in-depth characterization of ignition delays and flame speeds at technical relevant conditions. An extensive database will be presented identifying the characteristic differences of the combustion properties of NG, ethanol, and ethanol cofired to NG.


Author(s):  
Gilles Bourque ◽  
Darren Healy ◽  
Henry Curran ◽  
Christopher Zinner ◽  
Danielle Kalitan ◽  
...  

High-pressure experiments and chemical kinetics modeling were performed to generate a database and a chemical kinetic model that can characterize the combustion chemistry of methane-based fuel blends containing significant levels of heavy hydrocarbons (up to 37.5% by volume). Ignition delay times were measured in two different shock tubes and in a rapid compression machine at pressures up to 34 atm and temperatures from 740 to 1660 K. Laminar flame speeds were also measured at pressures up to 4 atm using a high-pressure vessel with optical access. Two different fuel blends containing ethane, propane, n-butane, and n-pentane added to methane were studied at equivalence ratios varying from lean (0.3) to rich (2.0). This paper represents the most comprehensive set of experimental ignition and laminar flame speed data available in the open literature for CH4/C2H6/C3H8/C4H10/C5H12 fuel blends with significant levels of C2+ hydrocarbons. Using these data, a detailed chemical kinetics model, based on current and recent work by the authors, was compiled and refined. The predictions of the model are very good over the entire range of ignition delay times, considering the fact that the data set is so thorough. Nonetheless, some improvements to the model can still be made with respect to ignition times at the lowest temperatures and for the laminar flame speeds at pressures above 1 atm and rich conditions.


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