An experimental and modeling study of the ignition of dimethyl carbonate in shock tubes and rapid compression machine

Abstract

a b s t r a c tIgnition delay times of dimethyl carbonate DMC were measured using low-and high-pressure shock tubes and in a rapid compression machine (RCM). In this way, the effect of fuel concentration (0.75% and 1.75%), pressure (2.0, 20, and 40 atm) and equivalence ratio (0.5, 1.0, 2.0) on ignition delay times was studied experimentally and by model ing. Experiments cover the temperature range of (795-1585 K). Several models from literature were used to perform simulations, thus their performances to predict the present experimental data was examined. Furthermore, the effect of the thermodynamic data of the CH 3 O(C = O) Ȯ radical species and the fuel consumption reaction CH 3 O(C = O)OCH 3 CH 3 O(C = O) Ȯ + CH 3 , on the simulations of the ignition delay times of DMC was analyzed using the different models. Reaction path and sensitivity analyses were carried out with the final model to present an in-depth analysis of the oxidation of DMC under the different conditions studied. The final model used AramcoMech 2.0 as the base mechanism and included a DMC sub-mechanism available in literature to which the reaction CH 3 O(C = O)OCH 3 CH 3 O(C = O) Ȯ + CH 3 was modified. Good agreement is observed between calculated and experimental data. The model was also validated using available experimental data from flow reactors and opposed flow diffusion and laminar premixed flames studies showing an overall good performance. To this end, studies addressing the thermal decomposition [4-6] , 17 photolysis [7] and oxidation of DMC have been reported in the lit-18 erature. 19 Sinha and Thomson [8] measured species concentrations across 20 DMC/air and propane/DMC/air opposed flow diffusion flames.

Laminar flame speed and shock-tube multi-species laser absorption measurements of Dimethyl Carbonate oxidation and pyrolysis near 1 atm

“…The change in with temperature was considered for each experiment, using the temperature change predicted by the Alexandrino et al mechanism [10]. Further details on this correction method are described in recent work by the authors [16].…”

“…The present study aims to do so by experimentally investigating DMC combustion chemistry, with an assortment of important combustion property measurements, such as ignition delay time and laminar flame speed, and more fundamental experiments such as laser-absorption measurements of CO and H2O. Detailed kinetics mechanisms from Glaude et al [7], Hu et al [8], Sun et al [9], and Alexandrino et al [10] were compared to the data to assess their accuracy.…”

Dimethyl Carbonate as a Promising Oxygenated Fuel for Combustion: A Review

“…In recent years, the use of DMC as pure fuel and oxygenated additive in IC engines has been intensely researched to get high thermal and energy efficiency with low emissions. DMC can mix in any ratio with conventional hydrocarbon fuels without solvents [7,11]. Therefore, many researchers have studied the emissions and combustion characteristics of pure DMC, DMC/diesel and DMC/gasoline in diesel and gasoline engines, respectively.…”

“…In recent years, it has been recommended as an alternative fuel or oxygenated additive fuel for diesel/gasoline fuel by many researchers [4][5][6][7][8]. DMC has excellent features such as: (1) non-toxic production, environmentally friendly, non-corrosive, and safe handling [9]; (2) high oxygen content, 53.28% by weight, which plays an important role in suppressing the soot precursor concentration in fuel-rich combustion zone through OH radical [10]; (3) 100% miscibility in fossil fuels (diesel and gasoline) [7,11]; (4) relatively high hydrogen to carbon (H/C) ratio [12]; (5) absence of carbon-carbon links in its molecular structure [13]; (6) low boiling point, which is important in spray atomization and mixing [13]; (7) decomposes to form methoxyformyl radical (CH 3 OC=O), which is an intermediate key to reduce soot formation [14]; and (8) low carbon to oxygen (C/O) ratio [15].…”

Experimental evaluation of thermolysis-driven gas emissions from LiPF6-carbonate electrolyte used in lithium-ion batteries

“…A review of the available literature indicates that the organic solvent in the electrolyte mainly produces CO 2, CH 4 , C 2 H 6 , C 2 H 4 , dimethyl ether (C 2 H 6 O), as well as other gaseous substances under an inert gas atmosphere at high temperatures. For a practical electrolyte system that contains both the organic solvent and the lithium salt, fluorohydrocarbon gases have been also found in the thermal decomposition products due to lithium salts [13][14][15][16][17][18][19][20] .…”