Reaction Mechanism of the Aluminum Nanoparticle: Physicochemical Reaction and Heat/Mass Transfer

doi:10.1021/acs.jpcc.9b11410

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	Reaction Mechanism of the Aluminum Nanoparticle: Physicochemical Reaction and Heat/Mass Transfer
	Chu QZ 1; Shi BL 1; Liao LJ(廖丽涓)2 ; Zou XR 1; Luo KH 3; Wang NF 1
通讯作者	Shi, Baolu(shibaolu@bit.edu.cn) ; Liao, Lijuan(liaohuanxin@hotmail.com)
发表期刊	JOURNAL OF PHYSICAL CHEMISTRY C
	2020-02-13
卷号	124 期号:6 页码:3886-3894
ISSN	1932-7447
摘要	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.
DOI	10.1021/acs.jpcc.9b11410
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000514221600051
关键词[WOS]	OXIDATION ; COMBUSTION ; PARTICLES ; DIFFUSION ; REAXFF ; NANOALUMINUM ; SIMULATIONS ; TEMPERATURE ; IGNITION ; AL
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
资助项目	Equipment Advance Research Field Foundation[61407200201] ; National Natural Science Foundation of China[11672314] ; National Natural Science Foundation of China[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] ; UK Engineering and Physical Sciences Research Council under the projects UK Consortium on Mesoscale Engineering Sciences (UKCOMES)[EP/R029598/1]
项目资助者	Equipment Advance Research Field Foundation ; National Natural Science Foundation of China ; 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)
论文分区	二类/Q1
力学所作者排名	1
RpAuthor	Shi, Baolu ; Liao, Lijuan
引用统计	被引频次：29[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/81778
专题	流固耦合系统力学重点实验室
作者单位	1.Beijing Inst Technol, Sch Aerosp Engn, Beijing 100081, Peoples R China; 2.Chinese Acad Sci, Inst Mech, Key Lab Mech Fluid Solid Coupling Syst, Beijing 100190, Peoples R China; 3.UCL, Dept Mech Engn, London WC1E 7JE, England
推荐引用方式 GB/T 7714	Chu QZ,Shi BL,Liao LJ,et al. Reaction Mechanism of the Aluminum Nanoparticle: Physicochemical Reaction and Heat/Mass Transfer[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2020,124,6,:3886-3894.
APA	Chu QZ,Shi BL,廖丽涓,Zou XR,Luo KH,&Wang NF.(2020).Reaction Mechanism of the Aluminum Nanoparticle: Physicochemical Reaction and Heat/Mass Transfer.JOURNAL OF PHYSICAL CHEMISTRY C,124(6),3886-3894.
MLA	Chu QZ,et al."Reaction Mechanism of the Aluminum Nanoparticle: Physicochemical Reaction and Heat/Mass Transfer".JOURNAL OF PHYSICAL CHEMISTRY C 124.6(2020):3886-3894.

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