摘要
微纳米铝粉发生氧化反应是其放热释能和老化失活的重要途径,分子动力学和反应动力学是阐明铝粉氧化反应的微观机制,为定量水平描述氧化反应进程提供了必要手段。按照反应体系的类型,将铝粉的氧化反应分为铝-氧、铝-水以及铝-其他氧化物反应体系,综述了近年来分子动力学和反应动力学在上述反应体系中的进展,对铝粉氧化动力学的机制及氧化壳层、粒径、原子扩散速率、温度和氧浓度等关键影响因素进行了讨论,展示了分子动力学和反应动力学方法在铝氧化行为研究中的灵活性和有效性。在此基础上,针对不同氧化反应体系亟待解决的重要问题进行了分析和展望,提出未来重点需解决多因素作用下的氧化动力学、铝-水(气态)反应动力学,以及深化铝-其他氧化反应动力学研究等问题。
The oxidation reaction of micro and nano aluminum powder is an important way of energy release and aging inactiva-tion.Molecular dynamics and reaction kinetics provide necessary means for elucidating the microscopic mechanism of oxidation reaction of aluminum powder and quantitatively describing the oxidation process.According to the type of reaction system,the oxidation of aluminum powder can be divided into aluminum-oxygen(Al-O2),aluminum-water(Al-H2O)and aluminum-other oxides(Al-other oxides)reaction systems.The recent progress of molecular dynamics and reaction kinetics in the above reaction systems is reviewed.The mechanism of oxidation kinetics of aluminum powder and its key influencing factors,including the ox-ide layer,particle size,atomic diffusion rate,temperature and oxygen concentration,were discussed,which proved the flexibil-ity and effectiveness of molecular dynamics and reaction kinetics.On this basis,the important problems in different oxidation re-action systems were analyzed and prospected.It is pointed out that the oxidation kinetics of aluminum powder under multiple factors,the kinetics of Al-water vapor reaction,and the intrinsic mechanism of Al-other oxides reaction are the key problems to be solved in the future.
作者
王敬凯
陈捷
睢贺良
于谦
杨秀兰
索志荣
孙杰
银颖
WANG Jing-kai;CHEN Jie;SUI He-liang;YU Qian;YANG Xiu-lan;SUO Zhi-rong;SUN Jie;YIN Ying(Institute of Chemical Materials,CAEP,Mianyang 621999,China;School of Materials and Engineering,Southwest University of Science and Technology,Mianyang 621010,China)
出处
《含能材料》
EI
CAS
CSCD
北大核心
2021年第3期251-266,共16页
Chinese Journal of Energetic Materials
关键词
微纳米铝粉
氧化反应
分子动力学
反应动力学
micro and nano aluminum powder
oxidation reaction
molecular dynamics
reaction kinetics