An experimental and kinetic modeling study of 2-methyltetrahydrofuran flames

Moshammer, Kai; Vranckx, Stijn; Chakravarty, Harish Kumar; Parab, Prajakta Rajaram; Fernandes, Ravi X.; Kohse‐Höinghaus, Katharina

doi:10.1016/j.combustflame.2013.07.006

Cited by 60 publications

(84 citation statements)

References 54 publications

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“…[230,231] Theo verall analysis is still more limited than for the furans,but some indications are reported that 2-MTHF [229] and tetrahydrofuran [179] have aconsiderably lower tendency to form aromatic compounds than do the furans under similar conditions.…”

Section: Angewandte Chemiementioning

confidence: 99%

Advanced Biofuels and Beyond: Chemistry Solutions for Propulsion and Production

et al. 2017

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Sustainably produced biofuels, especially when they are derived from lignocellulosic biomass, are being discussed intensively for future ground transportation. Traditionally, research activities focus on the synthesis process, while leaving their combustion properties to be evaluated by a different community. This Review adopts an integrative view of engine combustion and fuel synthesis, focusing on chemical aspects as the common denominator. It will be demonstrated that a fundamental understanding of the combustion process can be instrumental to derive design criteria for the molecular structure of fuel candidates, which can then be targets for the analysis of synthetic pathways and the development of catalytic production routes. With such an integrative approach to fuel design, it will be possible to improve systematically the entire system, spanning biomass feedstock, conversion process, fuel, engine, and pollutants with a view to improve the carbon footprint, increase efficiency, and reduce emissions.

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Section: Angewandte Chemiementioning

confidence: 99%

Advanced Biofuels and Beyond: Chemistry Solutions for Propulsion and Production

et al. 2017

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“…Chemical kinetic models of tetrahydrofurans have been proposed [27,146,157,158]. The first 2-MTHF model by Moshammer et al [27] was developed based on mole fraction profiles of products, reactants and a number of intermediate species including radicals obtained experimentally for premixed low-pressure 2-MTHF flames at an equivalence ratio of 1.7.…”

Section: Detailed Chemical Kinetic Modelsmentioning

confidence: 99%

“…The first 2-MTHF model by Moshammer et al [27] was developed based on mole fraction profiles of products, reactants and a number of intermediate species including radicals obtained experimentally for premixed low-pressure 2-MTHF flames at an equivalence ratio of 1.7. The proposed model consists of 185 species and 1412 reactions, including 2-MTHF sub-mechanism.…”

Section: Detailed Chemical Kinetic Modelsmentioning

confidence: 99%

Recent Trends in the Production, Combustion and Modeling of Furan-Based Fuels

Eldeeb

Akih-Kumgeh

2018

Energies

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Abstract:There is growing interest in the use of furans, a class of alternative fuels derived from biomass, as transportation fuels. This paper reviews recent progress in the characterization of its combustion properties. It reviews their production processes, theoretical kinetic explorations and fundamental combustion properties. The theoretical efforts are focused on the mechanistic pathways for furan decomposition and oxidation, as well as the development of detailed chemical kinetic models. The experiments reviewed are mostly concerned with the temporal evolutions of homogeneous reactors and the propagation of laminar flames. The main thrust in homogeneous reactors is to determine global chemical time scales such as ignition delay times. Some studies have adopted a comparative approach to bring out reactivity differences. Chemical kinetic models with varying degrees of predictive success have been established. Experiments have revealed the relative behavior of their combustion. The growing body of literature in this area of combustion chemistry of alternative fuels shows a great potential for these fuels in terms of sustainable production and engine performance. However, these studies raise further questions regarding the chemical interactions of furans with other hydrocarbons. There are also open questions about the toxicity of the byproducts of combustion.

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“…Recently proposed LA-derived 2G biofuels, beside 2-MTHF, include ethyl levulinate (ELA) [4], GVL [5], [13] and 2,5-dimethyltetrahydrofuran (DMTHF) [14]. Moshammer and co-authors have recently published a sophisticated experimental and detailed modelling study on the combustion and flame of 2-MTHF [15]. The authors have presented also an in-depth overview of the related combustion literature [15].…”

Section: Introductionmentioning

confidence: 99%

“…Moshammer and co-authors have recently published a sophisticated experimental and detailed modelling study on the combustion and flame of 2-MTHF [15]. The authors have presented also an in-depth overview of the related combustion literature [15]. In view of the excellent physical, chemical and fuel properties, environmental and potential economic advantages of 2-MTHF, its market-share is expected to grow rapidly in the future bringing down the price of this biomass-based chemical.…”

Section: Introductionmentioning

confidence: 99%

Direct and relative rate coefficients for the gas-phase reaction of OH radicals with 2-methyltetrahydrofuran at room temperature

Illés

Zügner

et al. 2016

Reac Kinet Mech Cat

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2-methyltetrahydrofuran (2-MTHF) is a renewable green solvent, a platform molecule for organic syntheses and a potential automotive fuel or fuel additive that can be produced efficiently from lignocellulosic biomass. Its reaction with OH radicals is important concerning both of its atmospheric fate and combustion. Kinetics of the overall reaction OH + 2-MTHF → products (1) were studied at room temperature (T = 298 ± 1 K) using both direct and relative kinetic methods. The low pressure fast discharge flow (DF) experiments coupled with resonance fluorescence (RF) detection of OH have provided the direct rate coefficient of k 1 (298 K, 2.64 mbar He) = (1.21 ± 0.14 (±2σ)) × 10 -11 cm 3 molecule -1 s -1 . The relative-rate experiments (RR) with gas-chromatographic (GC) analysis were performed at higher pressure in synthetic air using the reaction OH + cyclohexane (c-C 6 H 12 ) → products (2) as reference. The determined rate coefficient ratio k 1 /k 2 = 3.80 ± 0.17 (±2σ) has been converted to k 1 (298 K, 1030 mbar air) = (2.65 ± 0.55 (±2σ)) × 10 -11 cm 3 molecule -1 s -1 . This k 1 value agrees reasonably well with the only other rate coefficient reported which was determined also at higher pressures. Comparison with the DF result indicates a possible pressure dependence of the reaction. Impact of 2-MTHF on the chemistry of the atmosphere has been briefly discussed.

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An experimental and kinetic modeling study of 2-methyltetrahydrofuran flames

Cited by 60 publications

References 54 publications

Advanced Biofuels and Beyond: Chemistry Solutions for Propulsion and Production

Advanced Biofuels and Beyond: Chemistry Solutions for Propulsion and Production

Recent Trends in the Production, Combustion and Modeling of Furan-Based Fuels

Direct and relative rate coefficients for the gas-phase reaction of OH radicals with 2-methyltetrahydrofuran at room temperature

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