Diffusion of NG in Nitro Gradiently Distributed Spherical Pellets and Its Influence on Combustion Performance
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摘要:为了研究梯度硝基球扁药中硝化甘油（NG）的迁移现象及其对燃烧性能的影响，本研究通过分子动力学模拟计算5℃、25℃、50℃、70℃下NG在NC体系中的扩散系数；并将不同条件下制备的梯度硝基球扁药放在70℃的水浴烘箱里老化7d、14d、21d、28d，通过密闭爆发器试验探究其燃烧性能。结果表明：NG在5℃、25℃、50℃、70℃下的扩散系数分别为8.47×10-11m2·s-1、9.52×10-11m2·s-1、15.1×10-11m2·s-1、17.03×10-11m2·s-1；老化并不会对梯度硝基球扁药的结构产生影响；由于NG的迁移存在一个平衡的问题，因此分子动力学模拟的NG的迁移结果仅能反映梯度硝基球扁药中NG的扩散达到平衡之前的迁移现象。
Abstract:In order to study the migration phenomenon of nitroglycerin（NG）in nitro gradiently distributed spherical pellets and its effect on combustion performance, molecular dynamics simulation was used to study the diffusion coefficients of NG in the nitrocellulose (NC) system at 5℃, 25℃, 50℃ and 70℃. The nitro gradiently distributed spherical pellets prepared under different conditions were treated by accelerated aging experiments at 70℃ for 7d, 14d, 21d, 28d, and the combustion performance was explored through the closed bomb vessel. The results show that the diffusion coefficients of NG at 5℃, 25℃, 50℃ and 70℃ are 8.47×10-11 m2·s-1, 9.52×10-11 m2·s-1, 15.1×10-11 m2·s-1, 17.03×10-11 m2·s-1 respectively. The aging does not affect the structure of the gradient nitrosphere tonates. Due to the diffusion balance of NG in NC system, the migration results of molecular dynamics simulation of NG only can describe the migration of NG before the diffusion balance of NG in NC system.
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