Effects of Two Common Binders on Decomposition Mechanism of HMX Molecule Under Linear Temperature Rise

Abstract

ABSTRACT The effects of two common binders (BR and F binder) on the thermal decomposition of HMX molecules during linear heating were studied by molecular dynamics simulation. It was found that both binders can induce the decomposition reaction of HMX molecules earlier, promote the conversion of intermediate products to stable products, and reduce the activation energy and potential energy barrier of the system. The induction of the binder in the composite system makes the initial decomposition of HMX molecules appear at the interface between the binder and the HMX molecules, and the binder’s higher heat absorption rate absorbs a large amount of energy released by the hot spots. The promoting effect of binder on the conversion of intermediate products to stable products and the interaction between binder and HMX intermediate products consume excessive active particles, which inhibits the further decomposition of macromolecular intermediate products. The results show that both BR and F binders prolonged the decomposition duration of HMX, and F rubber with better thermal stability has the longest HMX decomposition duration in the composite system. Our simulation revealed the action mechanism of BR and F rubber in HMX thermal decomposition, which provided a new idea for studying the action mechanism of binders on the thermal properties of high explosives.