NENA对NC溶塑作用的实验与模拟

Experiments and simulation on plastication of NENA on NC

为研究丁基硝氧乙基硝胺(NENA)对硝化纤维素(NC)的溶塑作用,用动态流变学方法和单向拉伸实验分别研究了NENA和NG(硝化甘油)溶塑NC的完整历程及其溶塑产物的力学性能,并通过分子动力学模拟揭示了溶塑作用的微观信息。结果表明,NENA在NC中的扩散系数(2.12×10-10m2/s)比NG(1.39×10-10m2/s)高;与NG相比,NENA加快了NC的溶塑速率,增加了体系的自由体积,增强了NC分子链内部的作用力,增大了溶塑产物的最大伸长率和最大拉伸强度。

The plasticizing process of nitrocellulose/nitroxyethylnitramine （NC/NENA） and nitrocellulose/nitroglycerine （ NC/ NG） blends were investigated respectively by means of the dynamic rheology method, and the mechanical properties of the plasti- cized resultants were obtained by the uniaxial tensile method. The mechanism of plastication was studied by using molecular dynam- ics simulation（MD）. The results show that NENA has a larger diffusion coefficient（2.12×10^-10m^2/s） than that of NG（ 1, 39×10^-10m^2/s） in NC matrix. NENA can increase the plasticizing rate, the free volume and the molecular interaction of NC compared to that of NG in NC. The NENA plasticized NC also shows better maximum tensile strength and elongation rate than that of NG.