Experimental and Kinetic Modeling Study of 1,3-Dioxolane Oxidation and Comparison with Dimethoxymethane

• Published in: Energy & fuels Vol. 36; no. 14; pp. 7744 - 7754
• Main Authors: Shrestha, K. P., Elbaz, A. M., Giri, B. R., Arab, O. Z., Adil, M., Seidel, L., Roberts, W. L., Farooq, A., Mauss, F.
• Format: Journal Article
• Language: English
• Published: American Chemical Society 21-07-2022
• Subjects: Combustion
• ISSN: 0887-0624; 1520-5029
• DOI: 10.1021/acs.energyfuels.2c01132

This work reports laminar flame speeds and ignition delay times of 1,3-dioxolane/O2/inert gases over a wide range of conditions. Laminar flame speeds were determined experimentally at pressures of 1 and 3 bar, the temperature of 300 K, and equivalence ratios ranging from 0.7 to 1.4 using a constant-volume spherical chamber, whereas ignition delay times were measured in a shock tube at a pressure of 1 bar, the temperature range of 1000–1265 K, and equivalence ratios of 0.5 and 1.0. A detailed kinetic model is developed to predict the oxidation of 1,3-dioxolane utilizing our new experimental data and published datasets on the oxidation of 1,3-dioxolane in freely propagating flames, autoignition in rapid compression machines and shock tubes, and speciation in a jet-stirred reactor. Model predictions are in reasonable agreement with the experimental data. Laminar flame speeds and ignition delay times of 1,3-dioxolane (cyclic ether) are compared with those of dimethoxymethane (acyclic ether). It is found that 1,3-dioxolane has a higher laminar flame speed than that of dimethoxymethane, which may be attributed to the formation of C2H4, C2H2, and the H atom from 1,3-dioxolane. On the contrary, ignition delay times of 1,3-dioxolane are longer than those of dimethoxymethane below 1000 K and shorter above 1000 K for the same dilution level. The reaction ȮCHO = CO2 + H is critical for accurately predicting 1,3-dioxolane oxidation, and it significantly influences model predictions under low-pressure conditions. The model developed in this work will serve as the base mechanism for higher cyclic and acyclic ethers.