Molecular dynamics study of the structure and performance of simple and double bases propellants
To investigate the structure and performance of simple and double bases propellants, the nitrocellulose (NC), nitroglycerin (NG), and double mixed system (NC+NG) have been simulated by using the molecular dynamics (MD) method with the COMPASS force field. The interactions between NC and NG have been analyzed by means of pair correlation functions. The mechanical properties of the three model systems, i.e. elastic coefficients, modulus, Cauchy pressure, and Poissons ratio, etc., have been obtained. It is found that the rigidity, ductibility, and tenacity of the double bases propellants (NC+NG) are stronger than those of simple base propellants (NC), which attributes to the effect of NG and the strong interactions between NC and NG. The detonation properties of the three systems have also been calculated and the results show that compared with the simple base propellant (NC), the detonation heat and detonation velocity of the double base propellants (NC+NG) are increased.
Xiufang Ma Weihua Zhu Jijun Xiao Heming Xiao
Institute for Computation in Molecular and Material Science, Nanjing University of Science and Technology, Nanjing 210094, PR China
国际会议
武汉
英文
358-364
2010-09-01（万方平台首次上网日期，不代表论文的发表时间）