Abstract
In this paper, numerical simulation of shock induced chemical reactions of a thermite mixture of binary energetic material, aluminum and iron oxide, are discussed. To initiate the chemical reactions, the impact or the shockwave should supply the energy to take the reactants, aluminum and iron oxide, to the transition state. Thus, for any numerical simulation of the shock or impact induced chemical reaction in a continuum or mesoscale, it is necessary to identify the transition state. The transition state for the thermite mixture, of aluminum and iron oxide, is identified in this paper and a result from a numerical simulation of the shock induced chemical reaction, in a continuum scale is presented.
Highlights
Introduction and Significance of theNeed for Transition StatesTransition states are needed if we are studying catalytic reactions with microkinetic theory [1] [2] or we are exploring shock induced chemical reactions in binary energetic materials that are known as reactive materials
This observation of exothermic reactions resulted in the development of materials that could be used as binary energetic materials or reactive materials [7] [8] [9] [10] [11]
The identified transition states were used to numerically obtain shock induced chemical reactions, in a system consisting of aluminum and iron oxide, under impact
Summary
Transition states are needed if we are studying catalytic reactions with microkinetic theory [1] [2] or we are exploring shock induced chemical reactions in binary energetic materials that are known as reactive materials. It has been observed that shock induced chemical reactions, of certain mixtures of metal and metal oxide or intermetallic mixtures, are exothermic and can lead to the synthesis of new materials [3] [4] [5] [6] that are not possible under other conditions. The significance of this work is to discuss techniques to obtain the transition states that have applications in the field of design of systems with dual functional materials such as metal-metal oxides or other reactive materials. In binary mixtures, such as aluminum and iron oxide, aluminum is the fuel and iron-oxide (Fe2O3) is the oxidizer. The word “thermite” was first used to describe the reduction of a metal-oxide through an exothermic reaction [13]
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