Mechanism of AZDEGDN accelerating the decomposition of nitrocellulose: insights from reactive molecular simulations - Zhang, Ting; Qin, Weihua; Meng, Weifeng; Guo, Zhuiyue; Geng, Shuang; Cao, Weiguo; Lan, Yanhua (Journal of thermal analysis and calorimetry, 2024)
Keywords: Ammonia; Analytical Chemistry; Cellulose esters; Cellulose nitrate; Chemistry; Chemistry and Materials Science; Decomposition; Decomposition reactions; Distribution functions; Energy distribution; Inorganic Chemistry; Measurement Science and Instrumentation; Molecular chains; Nitrogen dioxide; Physical Chemistry; Polymer Sciences; Radial distribution; Reaction mechanisms; AZDEGDN; Decomposition; Reactive forcefield; Reaction pathway; Nitrocellulose