Reactive atomistic simulations of shock-induced initiation processes in mixtures of ammonium nitrate and fuel oil

18th APS-SCCM; 24th AIRAPT

Thompson, Aidan P.^1 ; Shan, Tzu-Ray^1

Sandia National Laboratories, Albuquerque

NM

87185, United States^1

关键词: Ammonium nitrate;    Atomistic simulations;    Blasting agents;    Enhanced reactivity;    Initiation process;    Interface regions;    Shock compressions;    Shock properties;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/500/5/052046/pdf
DOI  :  10.1088/1742-6596/500/5/052046

来源: IOP

【 摘 要 】

Ammonium nitrate mixed with fuel oil (ANFO) is a commonly used blasting agent. In this paper we investigated the shock properties of pure ammonium nitrate (AN) and two different mixtures of ammonium nitrate and n-dodecane by characterizing their Hugoniot states. We simulated shock compression of pure AN and ANFO mixtures using the Multi-scale Shock Technique, and observed differences in chemical reaction. We also performed a large-scale explicit sub-threshold shock of AN crystal with a 10 nm void filled with 4.4 wt% of n-dodecane. We observed the formation of hotspots and enhanced reactivity at the interface region between AN and n-dodecane molecules.