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

doi:10.1021/acs.jpcc.9b11410

CORC > 力学研究所 > 中国科学院力学研究所 > 流固耦合系统力学重点实验室(2012-)

	Reaction Mechanism of the Aluminum Nanoparticle: Physicochemical Reaction and Heat/Mass Transfer
	Chu QZ 3; Shi BL 3; Liao LJ(廖丽涓)2; Zou XR 3; Luo KH 1; Wang NF 3
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2020-02-13
卷号	124 期号:6 页码:3886-3894
ISSN号	1932-7447
DOI	10.1021/acs.jpcc.9b11410
通讯作者	Shi, Baolu(shibaolu@bit.edu.cn) ; Liao, Lijuan(liaohuanxin@hotmail.com)
英文摘要	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.
分类号	二类/Q1
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]
WOS关键词	OXIDATION ; COMBUSTION ; PARTICLES ; DIFFUSION ; REAXFF ; NANOALUMINUM ; SIMULATIONS ; TEMPERATURE ; IGNITION ; AL
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
语种	英语
WOS记录号	WOS:000514221600051
资助机构	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)
其他责任者	Shi, Baolu ; Liao, Lijuan
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/81777]
专题	力学研究所_流固耦合系统力学重点实验室(2012-)
作者单位	1.UCL, Dept Mech Engn, London WC1E 7JE, England 2.Chinese Acad Sci, Inst Mech, Key Lab Mech Fluid Solid Coupling Syst, Beijing 100190, Peoples R China; 3.Beijing Inst Technol, Sch Aerosp Engn, Beijing 100081, Peoples R China;
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.