Numerical simulations of direct detonation initiation and propagation in methane/air mixtures containing coal particles

Abstract

The mechanisms of direct detonation initiation (DDI) in methane/air mixtures containing coal particles are investigated through simulations conducted using the Eulerian-Lagrangian method in a two-dimensional configuration. Methane-air combustion is modelled with a detailed chemical mechanism involving 36 species and 219 reactions, while coal particle surface reactions are computed using a kinetic/diffusion-limited rate model. The findings indicate that shock waves generated from the hotspot can initiate detonation through heterogeneous and homogeneous reactions, with contributions from both methane and particle combustion. Coal particle surface reactions provide the dominant energy for detonation initiation, whereas gas-phase reactions enhance detonation stability during propagation. The difficulty of achieving detonation initiation exhibits a non-linear dependence on particle concentrations and gas equivalence ratios. An optimal particle concentration and gas equivalence ratio for successful DDI is identified. Smaller particles are found to facilitate detonation initiation more effectively. Key processes in DDI of two-phase mixtures are identified, including particle heating, methane combustion, and particle burning. Three DDI modes—critical, stable, and cell-free—are observed based on particle concentration. As particle concentration increases, the temperatures of both particles and gas become close, initially rising and then decreasing with further increases in particle concentration. Additionally, the introduction of coal particles gives rise to two distinct stages in gas-phase reactions.