摘要
采用等体积浸渍法在多孔氧化铟基体上负载了贵金属盐,经过热力学计算得到分解温度,然后加热使其分解,使用扫描电镜对样品负载的贵金属形貌进行观察。采用Materials Explorer(ME)5.0软件对多孔氧化铟基体上负载的贵金属(银、钯、铂)原子的扩散运动过程进行分子动力学模拟;分析了贵金属在基体上的存在形式,并与实验结果进行对比,得到了实验结果预估的理论依据;验证了ME分子动力学模拟对实际的指导作用。
Using incipient-wetness impregnation method, some precious metal salt on porous In2O3 matrix were loaded. The decomposition temperature was figured out with thermodynamic calculation. Then heating to decomposition temperature to make the precious metal salt decompose, the shape of precious metal was observed by SEM. The high-temperature-diffusion process of precious metal atoms on porous In2O3 matrix was simulated by Materials Explorer 5.0. The shape of precious metal on the matrix was assayed. Compared the results with experiment results, the theory basis of the experiment result was estimated and the guiding effect of molecular dynamics simulation was proved by the actual experiment.
出处
《热加工工艺》
CSCD
北大核心
2012年第20期4-7,共4页
Hot Working Technology
基金
云南省自然科学基金项目(2008E028M)
关键词
贵金属形貌
扩散运动过程
分子动力学模拟
precious metal shape
diffusion process
molecular dynamics simulation
