Diethoxymethane as tailor-made fuel for gasoline controlled autoignition

Lehrheuer, Bastian; Hoppe, Fabian; Heufer, Karl Alexander; Jacobs, Sascha; Minwegen, Heiko; Klankermayer, Jürgen; Heuser, Benedikt; Pischinger, Stefan

doi:10.1016/j.proci.2018.07.063

Cited by 23 publications

(29 citation statements)

References 14 publications

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“…2,3 Bio-based ethanol (EtOH) and CO 2 as carbon feedstock can be combined with "green hydrogen" from water electrolysis to form DEM and thus cutting the energy-intensive oxidation of methanol to formaldehyde, which is part of the established industrial production process. 4 These production characteristics agree very well with the declared goals of the new Cluster of Excellence "The Fuel Science Center" (FSC) at the RWTH Aachen University. 5 The aim of the FSC is the integrated conversion of bio-based carbon feedstocks and CO 2 with renewable electricity into high-density liquid energy carriers ("bio-hybrid fuels").…”

Section: Introductionsupporting

confidence: 75%

“…Furthermore, the modified Arrhenius parameters of the temperature-and pressure-dependent βscission reactions as well as the thermal isomerization rate constants of the corresponding DEM radicals were calculated. Lehrheuer et al 4 investigated DEM in a single-cylinder research engine and identified its potential in a lean, autoignition combustion system. In addition, the authors presented the first IDT measurements at low temperatures by studying the ignition behavior of DEM in a shock tube and a rapid compression machine (RCM) at a pressure of 30 bar, temperatures of 550−1100 K, and two different levels of dilution under stoichiometric conditions.…”

Section: Introductionmentioning

confidence: 99%

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A Comprehensive Experimental and Kinetic Modeling Study of the Combustion Chemistry of Diethoxymethane

et al. 2021

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The potential biohybrid fuel diethoxymethane (DEM) shows similar efficiency in reducing the peak mole fraction of soot precursors as oxymethylene ethers with having a higher energy density. In the present work, the fundamental combustion chemistry of DEM is studied experimentally and theoretically to obtain a comprehensive description of its combustion characteristics. A detailed kinetic model is developed to describe the pyrolysis and oxidation processes at low and high temperatures. To achieve this, rate coefficients for the unimolecular fuel decomposition and the thermal dissociation of a relevant Q̇OOH radical are predicted from high-level ab initio calculations. In addition, ignition delay times of DEM have been measured in a shock tube and in a laminar flow reactor over a wide range of conditions (p = 1–50 bar, T = 480–1170 K, and equivalence ratios of 0.5, 1.0, and 2.0). Laminar burning velocity experiments of DEM/air mixtures have been performed in a spherical combustion vessel at an initial temperature of 398 K, at pressures from atmospheric pressure to 2.5 bar, and at equivalence ratios from 0.8 to 1.7. In addition, the experimental measurement campaign in this study was complemented with the determination of extinction strain rates for non-premixed DEM flames in a laminar counterflow burner. All of these experiments substantially extend the current database describing DEM oxidation. The validation of the newly developed model is performed with the data sets from this work and available literature. Rate of production and sensitivity analyses were performed to identify critical pathways and to understand the mechanism in more detail. In contrast to other highly reactive fuels, the characteristic of autoignition behavior of DEM is different and does not show negative temperature coefficient (NTC) behavior under the conditions investigated. The chemical reactivity at intermediate temperature of DEM is controlled by two fast β-scission reactions and HȮ2 elimination reactions.

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Section: Introductionsupporting

confidence: 75%

Section: Introductionmentioning

confidence: 99%

A Comprehensive Experimental and Kinetic Modeling Study of the Combustion Chemistry of Diethoxymethane

et al. 2021

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“…, Interestingly, reacting CO 2 /H 2 and ethanol resulted in diethoxymethane which is identified as a promising fuel candidate “bio‐hybrid fuel” from a production perspective. , …”

Section: One Step Synthesis Of Ome1from the Direct Hydrogenation Of Cmentioning

confidence: 99%

“…[61,63] Interestingly, reacting CO 2 /H 2 and ethanol resulted in diethoxymethane which is identified as a promising fuel candidate ''bio-hybrid fuel'' from a production perspective. [64,65] More recently, the group of Trapp used the developed catalyst lead structure and prepared catalysts derivatives (ruthenium/N-triphos/Al(OTf) 3 ) in combination with consequent optimization of the reaction conditions for OME 1 and MF synthesis from CO 2 /H 2 and methanol. [66] The authors extensively investigated the effects of variations in the reaction conditions with respect to temperature, partial pressure of H 2 and CO 2 , reaction time, and additive as well as catalyst and Lewis acid concentration.…”

Section: Flowmentioning

confidence: 99%

Challenges and Opportunities in the Production of Oxymethylene Dimethylether

Gierlich

Beydoun

Klankermayer

et al. 2020

Chemie Ingenieur Technik

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This is an open access article under the terms of the Creative Commons Attribution-NonCommercial License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.To reduce the NO x and soot emissions of conventional diesel fuels, different renewable alternatives are investigated. One example are oxymethylene ethers (OME x ) of different chain lengths, which are intended to be used as diesel blends. Especially OME 3-5 show properties comparable to diesel. The key to producing longer chain OMEs is OME 1 as feedstock, which can react with formaldehyde to afford larger molecules. This article reviews different synthesis routes for OME 1 , in order to elucidate energy-efficient methods.

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“…The cluster research involves the production pathways from biomass, CO 2 , and H 2 to fuels as well as the usage of these fuels in internal combustion engines and the corresponding exhaust gas aftertreatment [2][3][4]. A variety of different promising fuels for compression and spark ignition engines were identified and investigated for their suitability [5][6][7][8][9][10][11][12].…”

Section: Introductionmentioning

confidence: 99%

Sorption and Reaction of Biomass Derived HC Blends and Their Constituents on a Commercial Pt–Pd/Al2O3 Oxidation Catalyst

et al. 2021

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Within the Research Cluster of Excellence “The Fuel Science Center” at RWTH Aachen University, the production and application of new fuels from bio-based carbon feedstocks and CO2 with hydrogen from renewable electricity generation is being investigated. In this study, the storage and oxidation of ethanol, 1-butanol, 2-butanone, cyclopentanone, and cyclopentane as well as two blends thereof on a series production Pt–Pd/Al2O3 oxidation catalyst were investigated. Hydrocarbon (HC) storage and temperature-programmed surface reaction (TPSR) experiments were carried out to analyze their adsorption and desorption behavior. In addition, the individual HCs and both blends were investigated using Diffuse Reflectance Infrared Fourier Transform Spectroscopy (TP-DRIFTS). In general, all oxygenated HCs are adsorbed more strongly than cyclopentane due to their higher polarity. Interestingly, it could be observed that the two different blends [blend 1: ethanol (50 mol %), 2-butanone (21 mol %), cyclopentanone (14 mol %) and cyclopentane (15 mol %); blend 2: 1-butanol (45 mol %), ethanol (29 mol %) and cyclopentane (27 mol %)] exhibit a different storage behavior compared to the single hydrocarbons. It was shown that the presence of 1-butanol and cyclopentane in blend 2 strongly inhibits the oxidation of ethanol. As a result, the ethanol light-off temperature was increased by at least 100 K. A difference was also found in the storage behavior of cyclopentane. While no significant storage could be detected in the pure compound experiment, the experiments with both mixtures showed a larger amount stored. The presence of adsorbed species of the hydrocarbons and their corresponding reaction products has been demonstrated and gives an insight into the storage mechanism of blends. Graphic Abstract

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Diethoxymethane as tailor-made fuel for gasoline controlled autoignition

Cited by 23 publications

References 14 publications

A Comprehensive Experimental and Kinetic Modeling Study of the Combustion Chemistry of Diethoxymethane

A Comprehensive Experimental and Kinetic Modeling Study of the Combustion Chemistry of Diethoxymethane

Challenges and Opportunities in the Production of Oxymethylene Dimethylether

Sorption and Reaction of Biomass Derived HC Blends and Their Constituents on a Commercial Pt–Pd/Al2O3 Oxidation Catalyst

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