In this paper, the optimal temperature in an HMX spray-drying process was determined by molecular dynamics simulations and verified using experiments. Using the optimal spray-drying temperature determined by simulations, spherical β-HMX with a uniform particle size distribution was obtained by spray-drying. Performance characterization and thermal analysis of β-HMX were investigated by scanning electron microscopy (SEM), X-ray diffraction (XRD) and differential scanning calorimetry (DSC). The impact sensitivity of β-HMX was also measured and analyzed. The molecular dynamics simulations and experimental results both indicated that the optimum spray-drying temperature of HMX was 57°C. At this temperature, an HMX particle diameter range of 1 µm – 5 µm was obtained, and the particles tended to be smooth spheroids. Compared with raw HMX, the T _p0 and critical temperature of thermal explosion of HMX-1 increased by 0.9°C and 0.94°C, respectively. The characteristic drop height of impact sensitivity increased by 32% from 32.05 cm to 42.28 cm.

本文通过分子动力学模拟确定了HMX喷雾干燥过程中的最佳温度，并通过实验进行了验证。使用通过模拟确定的最佳喷雾干燥温度，通过喷雾干燥获得具有均匀粒径分布的球形β-HMX。β-HMX的性能表征和热分析通过扫描电子显微镜（SEM），X射线衍射（XRD）和差示扫描量热法（DSC）进行了研究。还测量和分析了β-HMX的冲击敏感性。分子动力学模拟和实验结果均表明，HMX的最佳喷雾干燥温度为57℃。在此温度下，获得的HMX粒径范围为1 µm – 5 µm，并且颗粒倾向于是光滑的球体。与原始HMX相比，T HMX-1的_p0和热爆炸临界温度分别提高了0.9°C和0.94°C。撞击灵敏度的特征下降高度从32.05厘米增加到42.28厘米，增加了32％。