Effects of Air Humidity on Properties of JO-9159 Explosive by Molecular Dynamics Simulation

To explore effects of air humidity on properties of JO-9159 explosive, the amorphous model of six components was constructed by Materials Studio software, periodic molecular dynamics simulation was conducted at seven kinds of relative humidity ranging from 10% to 70% for (001), (010), (100) crystal planes of JO-9159 explosive in COMPASS force field and NVT ensemble. Mechanical properties, sensitivity and detonation properties of JO-9159 explosive were researched basing on equilibrium trajectory of model. The results show that with the increasing of relative humidity, the total adsorption energy increases. The adsorption capacity of JO-9159 explosive for H2O is much stronger than O2 and N2; The breaking strength has a decreasing trend with the humidity increases and the stiffness and hardness of JO-9159 explosive are smaller at 30% and 40% relative humidity; At 30% relative humidity, the sensitivity of JO-9159 explosive is highest and detonation properties are weakest, while the detonation properties are strongest at 20% relative humidity.