期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 124, 期 6, 页码 3886-3894出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.9b11410
关键词
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资金
- Equipment Advance Research Field Foundation [61407200201]
- National Natural Science Foundation of China [11672314, 51676016]
- Computing Facility, Institute of Mechanics, Chinese Academy of Sciences
- Tianhe-2 National Supercomputer Center in Guangzhou
- UK Engineering and Physical Sciences Research Council under the projects UK Consortium on Mesoscale Engineering Sciences (UKCOMES) [EP/L00030X/1, EP/R029598/1]
- EPSRC [EP/L00030X/1, EP/R029598/1] Funding Source: UKRI
A lack of clarity in the reaction mechanism of the aluminum nanoparticle (ANP) severely restricts its effective applications. By describing the physicochemical evolution of ANP burning in typical oxidizers (CO2, H2O, and O-2 ) at the nanoscale, three principal reaction modes including physical adsorption, chemical adsorption, and reactive diffusion were captured during the reaction. Initially, oxidizer molecules are physically and chemically adsorbed on the ANP surface until ignition in which reaction heat plays a more important role in contrast to heat transfer. Subsequently, partial oxidizer atoms adsorbed by surface diffuse across the shell to react with the Al core, presenting the dominant mode of reactive diffusion. It is assumed that the binding energy between Al and oxidizer atoms is in an inverse relation to atomic diffusivity but is positively correlated to reaction heat, resulting in various ANP structures and heat release rates. Our findings provide design guidelines to control various oxidizer supplies with respect to the reaction stages to balance the energy release and the residence time of ANP.
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