The addition of aluminum particles can effectively improve the energy characteristics of solid composite propellants in propulsion systems. However, these aluminum particles affecting propellant mixture viscosity, ignition delay time, burning time and specific impulse could also lead to undesirable effects. Therefore, it is a general practice that in the early stage of propellant formulation design that the particle size of condensed phase products is optimized/minimized through formulation adjustment to reduce its negative impact on the engine. In practice, it means that a costly manpower and materials are needed to obtain the size distribution of condensed phase products during the combustion process of propellants via experimental tests. Thus, there is a strong industrial need for a reasonable and feasible simulation method of agglomeration process during the combustion process of propellants. In this work, we propose and examine the implementation of molecular dynamics and a random packing algorithm on creating numerically models of aluminized composite propellants. Considering the pyrolysis of ammonium perchlorate (AP) and the combustion process of aluminum, we develop a more accurate agglomeration model basing on the classical Jackson model. Our proposed methods and simulations models are validated by our experimental results. It confirms that the present work provides a prediction tool for simulating and improving the agglomeration process, thus aiming at optimizing solid propellant formula.
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