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

Abstract:

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.

• Periodical: Key Engineering Materials (Volume 727)
• Pages: 455-460
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.727.455
• Online since: January 2017
• Authors: Ya Nan Guo*, Yu Ling Wang
• Keywords: Detonation Properties, JO-9159 Explosive, Mechanical Properties, Molecular Dynamics Simulation, Relative Humidity, Sensitivity

References

[1] Dong-mei Liu. Molecular dynamic simulation study on the structure and properties of HMX and PETN and their composite materials. Nanjing: Nanjing University of Science & Technology, (2014).

[2] Guo-xiang Sun. Polymer mixed explosive. Beijing: National Defence Industry Press, (1984).

[3] Wei Zhu. Molecular dynamics studies on the structure and properties of energetic systems. Nanjing: Nanjing University of Science & Technology, (2008).

[4] Xiao-ci Yan. Surface Chemistry. Beijing: Chemical Industry Press, 2005: 19-45, 112-114.

[5] Hai-shan Dong, Fen-fen Zhou. Performance of High Energy Explosives and Related Materials. Beijing: Science Press, (1989).

[6] Xiang Zhang, Yu-ling Wang. Molecular dynamic simulation of adsorption of mixed gases on JOB-9003 surfaces. Chinese Journal of Explosives & Propellants, 2014, 37(6): 48-52.

[7] Dong-mei Liu, Li Zhao, Ji-jun Xiao, et al. Sensitivity criterion and mechanical properties prediction of HMX and RDX crystals at different temperatures. Chemical Journal of Chinese Universities, 2013(11): 2558-2665.

[8] Bowden F P, Yoffe A D. Initiation and growth of Explosion in Liquids and Solids. Cambridge: Cambridge University Press, (1952).

[9] Kamlet M J, Adolph H G. The relationship of impact sensitivity with structure of organic high explosive. Propellants Explos. Pyrotech, 1979, 4: 30-34.

DOI: 10.1002/prep.19790040204

[10] Yu-ling Wang, Wen-li Yu. Explosives and Initiating Explosive Devices. Xi'an: Northwestern Polytechnic University Press, (2011).