Xiangyang XU
,
Yongwei ZHU
,
Baichun WANG
,
Zhiming YU
,
Shengzhong XIE
材料科学技术（英）
A technology of mechanochemical treatment (MCT) is introduced to modify nanodiamond (ND) surface aiming to obtaining a stable suspension with well-dispersed ND particles in aqueous medium. ND investigated in this paper is a purified product of nanometer-sized diamond synthesized by explosive detonation. As obvious aggregation and sediment were observed when the sample was added into deionized water, it is crucial to conduct deaggregation and dispersion investigations. Amid a series of mechanical treatments, i.e. grinding, stirring, ultrasonic and classification, some reagents are introduced to modify the newly created surface during aggregates comminution. For the co-effects of mechanical forces and surfactants, the mean size of particles was reduced and a stable system containing ND with narrow size distribution was prepared. Mechanism of surface reaction and modification are discussed, while AFM, Zetasizer3000HS, XRD, XPS and FTIR are utilized for the analysis. The functional chemical structure of ND particle surface and surface electrical property changed during the modification processes, and the dispersion character and stability of suspension can consequently be improved.
关键词:
Aggregates
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null
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null
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null
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刘建国
,
安振涛
,
张倩
,
杜仕国
,
姚凯
,
王金
材料导报
doi:10.11896/j.issn.1005-023X.2017.04.030
为评估氧化剂硝酸羟胺的热稳定性,使用标准液体铝皿于3 K/min、4 K/min、5 K/min加热速率下进行热分析.借助非等温DSC曲线的参数值,应用Kissinger法和Ozawa法求得热分解反应的表观活化能和指前因子,根据Zhang-Hu-Xie-Li公式、Hu-Yang-Liang-Xie公式、Hu-Zhao-Gao公式以及Zhao-Hu-Gao公式,计算硝酸羟胺的自加速分解温度和热爆炸临界温度,并对热分解机理函数进行了研究.设计了7条热分解反应路径,采用密度泛函理论B3LYP/6-311++G(d,p)方法对硝酸羟胺的热分解进行了动力学和热力学计算.计算结果表明,硝酸羟胺热分解的自加速分解温度TsADT=370.05 K,热爆炸临界温度Te0=388.68K,Tbp0=397.54 K,热分解最可几机理函数的微分形式为f(a) =17×(1-α)18/17.硝酸羟胺热分解各路径中,动力学优先支持路径Path 6、Path 5、Path 4和Path 1生成NO和NO2,其次是Path 2、Path 7和Path 3生成N2和N2O.温度在373 K以下时,Path 1'反应无法自发进行,硝酸羟胺无法进行自发的热分解.从热力学的角度来看,硝酸羟胺在370.05K以下储存是安全的.
关键词:
硝酸羟胺
,
热分析
,
热稳定性
,
热分解机理
,
密度泛函理论
