Numerical simulation of hydrocarbon detonations on GPU clusters using different chemical mechanisms.

In the current work the preliminary results of numerical simulations of detonation wave propagation with detailed hy- drocarbon chemical mechanisms are presented. 1D and 2D cases are investigated. All simulations are conducted using an in-home code solving the chemically reacting Euler equations on supercomputers with GPUs. Four chemical models are considered: AFRL model, Singh–Jachimowski model, Varatharajan–Williams model and GRI-Mech 3.0 model. Due to complexity of GRI-Mech 3.0 model it is not used for 2D numerical simulations of detonation wave propagation. For all chemical models the Chapman-Jouguet velocity is obtained, the ignition delay is determined and the Zeldovich–Neumann–Doering solution is obtained in order to compare how suitable they are for numerical simulations of detonations. The 2D Euler equations are solved for an ethylene/oxygen/nitrogen mixture using high-order shock-capturing TVD schemes and a finite-rate chemistry solver. The sizes of detonation cells obtained with different models are compared with each other and experimental data. [ABSTRACT FROM AUTHOR]