SPH simulation of shock-induced chemical reactions in reactive powder mixtures

Reactive materials (RMs) are a mixture of two or more nonexplosive solid components in which, under extreme conditions, self-sustaining chemical reactions occur with the release of a high amount of energy. Knowing the kinetics of chemical reactions in RMs plays the key role in their efficient applications. In this work, we propose a macroscopic mathematical model of shock-induced chemical reactions based on smoothed particle hydrodynamics (SPH) for particle-scale simulation. The model includes the elastic-plastic deformation of materials, heating due to deformation and chemical reactions, diffusion of components, and heat transfer. The test calculations performed for the zero- and first-order reactions in the Al/S mixture showed a need for a more reliable determination of criteria and constants of chemical reactions. For this purpose, we propose a schematic experimental arrangement for the experimental and theoretical determination of the critical reaction pressure and the rate constant of the reaction. The type and corresponding constants of chemical reactions can be determined, for example, by the maximum likelihood method. We theoretically determined the zones of chemical reaction with different modes and found the influence of the projectile velocity and the intensity of shock waves on the development and completion of chemical reactions. [Display omitted] •A macroscopic mathematical model of shock-induced chemical reactions is proposed.•Zero-and first-order reactions in the Al/S mixture are theoretically estimated.•A scheme of the experimental and theoretical determination of reaction parameters is proposed.