Thermochemical modeling of temperature controlled shock-induced chemical reactions in multifunctional energetic structural materials under shock compression

Multifunctional energetic structural materials (MESMs) are a new class of energetic materials which release energy due to exothermic chemical reactions initiated under shock loading conditions. In order to analyze shock-induced chemical reactions (SICR) for MESMs, theoretical models have been developed to calculate the Hugoniot data which include the heat released by shock temperature controlled reactions. The temperature rise of porous materials due to shock compression is first calculated using a constant volume and pressure adjustment. Then the Arrhenius reaction rate and Avrami-Erofeev kinetic models are used to calculate the extent of reaction of MESMs under shock compression. Thermochemical models for shock-induced reactions, in which the reaction efficiency is considered, are given by combining the shock temperature rise with the chemical reaction kinetics. The Hugoniot relations and temperatures are calculated by using the proposed method. The models developed have been validated against the experimental SICR data involving Fe2O3/Al, Al/Ni, and Ti/Ni mixtures. It has been shown that the theoretical calculations correlate reasonably well with the corresponding experimental and simulation results. The models presented can be used to predict the reaction results of MESMs over a wide range of pressure satisfactorily. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729048]