International audienceTetrahydrofuran (THF) is a well suited starting point fuel to study the combustion chemistry of saturated cyclic esters that are being considered as promising bio-fuels. To better understand the combustion chemistry of THF, laminar low-pressure premixed flame structure, atmospheric adiabatic laminar burning velocities, and high-pressure ignition delay times were investigated. The structure of laminar premixed low-pressure (6.7 kPa) argon-diluted (78%) flames of THF were studied at three equivalence ratios (0.7, 1.0 and 1.3) using on-line gas chromatography analyses. The results consist of temperature and mole fraction profiles (about 40 species) measured as a function of the height above the burner. Ethylene, propene, formaldehyde, acetaldehyde, and dihydrofurans were observed as important intermediates. Aromatic species were detected in very low amounts. The adiabatic laminar burning velocities of THF–air mixtures were measured using the heat flux burner method at atmospheric pressure (initial temperatures from 298 to 398 K, at equivalence ratios from 0.55 to 1.60). The maximum burning velocity of THF was comparable to that of ethanol and diethyl ether. The ignition delay times of THF–oxygen–argon mixtures were measured behind reflected shock waves (temperatures from 1300 to 1700 K, pressures around 8.5 atm, mixtures containing 0.25–1% of fuel for equivalence ratios of 0.5–2.0). A new detailed kinetic model for THF combustion was developed using a combination of automatic generation (EXGAS), Evans–Polanyi correlations (for H-abstraction kinetic data), and CBS-QB3 theoretical calculations (for unimolecular initiation, H-abstraction and β-scission kinetic data). An overall good agreement between simulations and the present experimental results has been found. The main THF reaction pathways under flame conditions have been identified from flow rate analyses

Saturated cyclic ethers are being proposed as next-generation bio-derived fuels. However, their pyrolysis and combustion chemistry has not been well established. In this work, the pyrolysis and combustion chemistry of 2-methyl-tetrahydrofuran (MTHF) was investigated through experiments and detailed kinetic modeling. Pyrolysis experiments were performed in a dedicated plug flow reactor at 170 kPa, temperatures between 900 and 1100K and a N 2 (diluent) to MTHF molar ratio of 10. The combustion chemistry of MTHF was investigated by measuring mole fraction profiles of stable species in premixed flat flames at 6.7 kPa and equivalence ratios 0.7, 1.0 and 1.3 and by determining laminar burning velocities of MTHF/air flat flames with unburned gas temperatures of 298, 358 and 398K and equivalence ratios between 0.6 and 1.6. Furthermore, a kinetic model for pyrolysis and combustion of MTHF was developed, which contains a detailed description of the reactions of MTHF and its derived radicals with the aid of new high-level theoretical calculations. Model calculated mole fraction profiles and laminar burning velocities are in relatively good agreement with the obtained experimental data. At the applied pyrolysis conditions, unimolecular decomposition of MTHF by scission of the methyl group and concerted ring opening to 4-penten-1-ol dominates over scission of the ring bonds; the latter reactions were significant in tetrahydrofuran pyrolysis. MTHF is mainly consumed by hydrogen abstraction reactions. Subsequent decomposition of the resulting radicals by β-scission results in the observed product spectrum including small alkenes, formaldehyde, acetaldehyde and ketene. In the studied flames, unimolecular ring opening of MTHF is insignificant and consumption of MTHF through radical chemistry dominates. Recombination of 2-oxo-ethyl and 2-oxo-propyl, primary radicals in MTHF decomposition, with hydrogen atoms and carboncentered radicals results in a wide range of oxygenated molecules.

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The simultaneous reduction of NO x and soot emissions from diesel engines is a major research subject and a challenge in today's world. One prospective solution involves diesel fuel reformulation by addition of oxygenated compounds, such as dimethoxymethane (DMM). In this context, different DMM oxidation experiments have been carried out in an atmospheric pressure gas-phase installation, in the 573-1373 K temperature range, from pyrolysis to fuel-lean conditions. The results obtained have been interpreted by means of a detailed gas-phase chemical kinetic mechanism. Results indicate that the initial oxygen concentration slightly influences the consumption of DMM. However, certain effects can be observed in the profiles of the main products (CH 4 , CH 3 OH, CH 3 OCHO, CO, CO 2 , C 2 H 2 , C 2 H 4 , and C 2 H 6). Acetylene, an important soot precursor, is only formed under pyrolysis and reducing conditions. In general, a good agreement between experimental and modeling data was observed.

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