高氯酸铵
吸附
分解
化学工程
密度泛函理论
材料科学
铵
化学
无机化学
热分解
有机化学
计算化学
工程类
作者
Haiyang Yu,Lei Huang,Yaohua Liu,Chunhua Liu,Chen Chen,Xing Zhou
标识
DOI:10.1016/j.colsurfa.2024.133643
摘要
A functionalised interface construction strategy was developed by coating an ammonium perchlorate (AP) surface with quaternary ammonium cation surfactants using a self-assembly method. The functionalised interface transforms AP decomposition from high temperature decomposition into low temperature decomposition, and provides pressure-sensitive control over the mass ratio of AP decomposition in the two stages. Further study using molecular dynamics simulations and density functional theory reveal that the functionalised interface hinders the adsorption of NH3 molecules and promote the adsorption and decomposition of ClO4 on the AP surface, all of which could contribute to controlling AP decomposition.
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