Experimental and modeling study of the pyrolysis and combustion of 2-methyl-tetrahydrofuran

Bruycker, Ruben De; Tran, Luc-Sy; Carstensen, Hans-Heinrich; Glaude, Pierre-Alexandre; Monge, Fabiola; Alzueta, María U.; Battin‐Leclerc, Frédérique; Geem, Kevin Van

doi:10.1016/j.combustflame.2016.11.017

Cited by 31 publications

(51 citation statements)

References 57 publications

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“…However, the quantitative agreement is poor for most species. Then, De Bruycker et al [146] presented another 2-MTHF kinetic model, developed with the help of new advanced theoretical calculations. The authors segment the new model into three main mechanisms: a primary mechanism, covering the oxidation and pyrolysis of 2-MTHF and its radicals; a base mechanism, capturing the oxidations and pyrolysis of small oxygenates and hydrocarbons; and a secondary mechanism, focusing on 2-MTHF decomposition products.…”

Section: Detailed Chemical Kinetic Modelsmentioning

confidence: 99%

“…The pyrolysis of 2-MTHF was recently investigated by De Bruycker [146] in a plug flow reactor at a pressure of 170 kPa, temperatures of 900-1100 K and an N 2 /2-MTHF molar ratio of 10. The results indicated that the main pathway for decomposition is by cleavage of the CH 3 group and ring opening to 4-penten-1-ol.…”

Section: Experimental Chemical Kinetic Studiesmentioning

confidence: 99%

“…The characterization of flame behavior of tetrahydrofurans was also carried out in a few studies [146,223]. Recently, the first effort on 2-MTHF flames was presented by De Bruycker et al [146], who measured mole fraction profiles of some stable species in 2-MTHF/air premixed flat flames at a pressure of 6.7 kPa and equivalence ratios of 0.7-1.3, as well as laminar burning velocities of flat flames of 2-MTHF/air at initial temperatures of 298-398 K and equivalence ratios of 0.6-1.6, as shown in Figure 9.…”

Section: Laminar Burning Velocities Of Furansmentioning

confidence: 99%

“…A large number of experimental studies involved investigations of thermal decomposition in shock tubes and flow reactors [114,[134][135][136][137][138][139][140][141][142][143][144][145][146]. Other studies were aimed at the exploration of rate constants of furan reactions with important radicals during oxidation [20,132,144,[147][148][149][150][151][152].…”

Section: Experimental Chemical Kinetic Studiesmentioning

confidence: 99%

“…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%

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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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Section: Detailed Chemical Kinetic Modelsmentioning

confidence: 99%

Section: Experimental Chemical Kinetic Studiesmentioning

confidence: 99%

Section: Laminar Burning Velocities Of Furansmentioning

confidence: 99%

Section: Experimental Chemical Kinetic Studiesmentioning

confidence: 99%

Section: Detailed Chemical Kinetic Modelsmentioning

confidence: 99%

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

Eldeeb

Akih-Kumgeh

2018

Energies

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Shock tube investigation of methyl tert butyl ether and methyl tetrahydrofuran high‐temperature kinetics

Jouzdani

Zheng

Zhou

et al. 2019

Int J of Chemical Kinetics

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The autoignition and pyrolysis of two C5 ethers, methyl tert butyl ether (MTBE) and 2‐methyltetrahydrofuran (2‐MTHF), are investigated using the shock tube reactor. The experiments are carried out at pressures of 3.5 and 12 atm at temperatures above 1000 K with argon as a diluent gas. By means of direct laser absorption, carbon monoxide time histories and associated chemical kinetic timescales are also determined. It is observed that the competition between ignition and pyrolysis times depends on the temperature and equivalence ratio of the ignition mixture, such that there is a temperature above which pyrolysis predominates oxidative kinetics. This crossover temperature shifts toward higher temperatures for reactive systems with a fixed fuel concentration but higher oxygen content. The resulting experimental observations are also compared with predictions of existing chemical kinetic models from the literature. The results point to differences in chemical reactivity, such that in pyrolysis conditions, the reactivity of the cyclic ether, 2‐MTHF, is generally higher than that of the aliphatic ether, MTBE. While agreement between experimental observations and model predictions is observed under certain conditions, significant variance between observations and predictions is observed under other conditions. With respect to prediction of the pyrolysis time used to capture the global kinetics of pyrolysis, it is observed that the relation of this time to the time needed to attain 90% of the equilibrium CO concentration varies greatly with the result that the models used in this work generally predict a faster initial formation of CO but a much slower approach to the equilibrium concentration. This is thought to arise from the slow transformation of intermediate CH2O and CH2CO to CO. The chemical kinetic models considered in this work are therefore not capable of predicting the CO time histories during pyrolysis.

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