Spherically expanding flame simulations using Cantera coupled to an unsteady Lagrangian formulation

A Lagrangian-based one-dimensional approach has been applied, using Cantera libraries, to study the dynamics of spherically expanding flames. Detailed reaction models have been employed to examine spherical flame propagation in hydrogen-air mixtures. In the first part, our approach was validated against laminar flame speed and Markstein number data from the literature. It was shown that the laminar flame speed was predicted within 5% on average but that significant discrepancies were observed for the Markstein number, especially for rich mixtures. This suggests that even application of detailed reaction models can lead to inaccurate prediction of the stability of rich flames, which can be detrimental to the prediction of flame acceleration and the deflagration to detonation transition process. In the second part, a detailed analysis of the thermo-chemical dynamics along the path of Lagrangian particles propagating in stretched flames was performed. For mixtures with negative Markstein lengths, it was found that at high stretch rates, the mixture entering the reaction-dominated period is less lean with respect to the initial mixture than at low stretch rates. This induces faster rates of chemical heat release and active radical production which results in higher flame propagation speed. Opposite effects were observed for mixtures with positive Markstein lengths, for which slower flame propagation was observed at high stretch rates compared to low stretch rates.(c) 2023 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.