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

Ignition 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 computationally using a chemical kinetic model. Experiments cover the temperature range of 795-1585 K. Several models from the 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 CH3O(C=O) (O) over dot radical species and the fuel consumption reaction CH3O(C=O)OCH3 reversible arrow CH3O(C=O)(O) over dot+(C) over dotH(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 a final recommended model to present an in-depth analysis of the oxidation of DMC under the different conditions studied. The final model uses AramcoMech 2.0 as the base mechanism and includes a.DMC sub mechanism available in the literature in which the reaction CH3O(C=O)OCH3 reversible arrow CH3O(C=O)(O) over dot+(C) over dotH(3)has been 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 flame studies showing an overall good performance. (C) 2017 The Combustion Institute. Published by Elsevier Inc. All rights reserved.