AI Chat Paper
Note: Please note that the following content is generated by AMiner AI. SciOpen does not take any responsibility related to this content.
{{lang === 'zh_CN' ? '文章概述' : 'Summary'}}
{{lang === 'en_US' ? '中' : 'Eng'}}
Chat more with AI
Powered by AMiner. Clicking this button will take you away from SciOpen.
Home International Journal of Extreme Manufacturing Article
PDF (6 MB)
Cite
EndNote(RIS) BibTeX
Collect
Submit Manuscript AI Chat Paper
Show Outline
Outline
Show full outline
Hide outline
Outline
Show full outline
Hide outline
Paper | Open Access

A combined multiscale modeling and experimental study on surface modification of high-volume micro-nanoparticles with atomic accuracy

Zoushuang Li1, Junren Xiang1,5, Xiao Liu1, Xiaobo Li2, Lijie Li3, Bin Shan4, Rong Chen1 ( )
State Key Laboratory of Digital Manufacturing Equipment and Technology, School of Mechanical Science and Engineering, Huazhong University of Science and Technology, 1037 Luoyu Road, Wuhan, Hubei 430074, People’s Republic of China
School of Energy and Power Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074, People’s Republic of China
College of Engineering, Swansea University, SA1 8EN Swansea, United Kingdom
State Key Laboratory of Material Processing and Die and Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan, Hubei 430074, People’s Republic of China
Wuhan University of Technology, Wuhan, Hubei 430063, People’s Republic of China
Show Author Information

Abstract

Surface modification for micro-nanoparticles at the atomic and close-to-atomic scales is of great importance to enhance their performance in various applications, including high-volume battery, persistent luminescence, etc. Fluidized bed atomic layer deposition (FB-ALD) is a promising atomic-scale manufacturing technology that offers ultrathin films on large amounts of particulate materials. Nevertheless, nanoparticles tend to agglomerate due to the strong cohesive forces, which is much unfavorable to the film conformality and also hinders their real applications. In this paper, the particle fluidization process in an ultrasonic vibration-assisted FB-ALD reactor is numerically investigated from micro-scale to macro-scale through the multiscale computational fluid dynamics and discrete element method (CFD-DEM) modeling with experimental verification. Various vibration amplitudes and frequencies are investigated in terms of their effects on the fluid dynamics, distribution of particle velocity and solid volume fraction, as well as the size of agglomerates. Results show that the fluid turbulent kinetic energy, which is the key power source for the particles to obtain the kinetic energy for overcoming the interparticle agglomeration forces, can be strengthened obviously by the ultrasonic vibration. Besides, the application of ultrasonic vibration is found to reduce the mean agglomerate size in the FB. This is bound to facilitate the heat transfer and precursor diffusion in the entire FB-ALD reactor and the agglomerates, which can largely shorten the coating time and improve the film conformality as well as precursor utilization. The simulation results also agree well with our battery experimental results, verifying the validity of the multiscale CFD-DEM model. This work has provided momentous guidance to the mass manufacturing of atomic-scale particle coating from lab-scale to industrial applications.

Keywords

atomic scale manufacturingfluidized bed atomic layer deposition (FB-ALD)computational fluid dynamics and discrete element method (CFD-DEM)nanoparticle agglomeratesultrasonic vibration

References

[1]

Cao Y Q, Meng X B and Li A D 2021 Atomic layer deposition of high-capacity anodes for next-generation lithium-ion batteries and beyond Energy Environ. Mater. 4 363–91
Crossref Google Scholar
[2]

Xiong Q G, Hajjar A, Alshuraiaan B, Izadi M, Altnji S and Shehzad S A 2021 State-of-the-art review of nanofluids in solar collectors: a review based on the type of the dispersed nanoparticles J. Clean. Prod. 310 127528
Crossref Google Scholar
[3]

Sun Q, Lau K C, Geng D S and Meng X B 2018 Atomic and molecular layer deposition for superior lithium-sulfur batteries: strategies, performance, and mechanisms Batter. Supercaps 1 41–68
Crossref Google Scholar
[4]

Zhang S F, Zhang B, Liang H J, Liu Y Q, Qiao Y and Qin Y 2018 Encapsulation of homogeneous catalysts in mesoporous materials using diffusion-limited atomic layer deposition Angew. Chem., Int. Ed. 130 1103–7
Crossref Google Scholar
[5]

Yang J F, Cao K, Gong M, Shan B and Chen R 2020 Atomically decorating of MnOx on palladium nanoparticles towards selective oxidation of benzyl alcohol with high yield J. Catal. 386 60–69
Crossref Google Scholar
[6]

Li S, Xiong J X, Shen J S, Qin Y, Li J, Chu F Q, Kong Y and Deng L H 2015 A novel hydrogen peroxide sensor based on Ag nanoparticles decorated polyaniline/graphene composites J. Appl. Polym. Sci. 132 42409
Crossref Google Scholar
[7]

Cao K, Cai J M, Shan B and Chen R 2020 Surface functionalization on nanoparticles via atomic layer deposition Sci. Bull. 65 678–88
Crossref Google Scholar
[8]

Fang F Z 2020 Atomic and close-to-atomic scale manufacturing: perspectives and measures Int. J. Extrem. Manuf. 2 030201
Crossref Google Scholar
[9]

Fang F et al 2020 Atomic layer deposition assisted encapsulation of quantum dot luminescent microspheres toward display applications Adv. Opt. Mater. 8 1902118
Crossref Google Scholar
[10]

Chen R, Li Y C, Cai J M, Cao K and Lee H B R 2020 Atomic level deposition to extend Moore’s law and beyond Int. J. Extrem. Manuf. 2 022002
Crossref Google Scholar
[11]

George S M 2010 Atomic layer deposition: an overview Chem. Rev. 110 111–31
Crossref Google Scholar
[12]

Muñoz-Rojas D, Maindron T, Esteve A, Piallat F, Kools J C S and Decams J M 2019 Speeding up the unique assets of atomic layer deposition Mater. Today Chem. 12 96–120
Crossref Google Scholar
[13]

van Ommen J R, Valverde J M and Pfeffer R 2012 Fluidization of nanopowders: a review J. Nanopart. Res. 14 737
Crossref Google Scholar
[14]

Shabanian J, Jafari R and Chaouki J 2012 Fluidization of ultrafine powders Int. Rev. Chem. Eng. 4 16–50
Google Scholar
[15]

Zhu X L, Zhang Q, Wang Y and Wei F 2016 Review on the nanoparticle fluidization science and technology Chin. J. Chem. Eng. 24 9–22
Crossref Google Scholar
[16]

Li Z S, Li J W, Liu X and Chen R 2021 Progress in enhanced fluidization process for particle coating via atomic layer deposition Chem. Eng. Process. Process Intensif. 159 108234
Crossref Google Scholar
[17]

van Ommen J R, Grillo F and Grievink J 2019 Scalable manufacturing of nanostructured materials by atomic layer deposition in fluidized bed reactors Comput. Aided Chem. Eng. 46 403–8
Crossref Google Scholar
[18]

van Ommen J R and Goulas A 2019 Atomic layer deposition on particulate materials Mater. Today Chem. 14 100183
Crossref Google Scholar
[19]

Hakim L F, Blackson J, George S M and Weimer A W 2005 Nanocoating individual silica nanoparticles by atomic layer deposition in a fluidized bed reactor Chem. Vapor Depos. 11 420–5
Crossref Google Scholar
[20]

King D M, Spencer I I J A, Liang X H, Hakim L F and Weimer A W 2007 Atomic layer deposition on particles using a fluidized bed reactor with in situ mass spectrometry Surf. Coat. Technol. 201 9163–71
Crossref Google Scholar
[21]

Tiznado H, Domínguez D, Muñoz-Muñoz F, Romo-Herrera J, Machorro R, Contreras O E and Soto G 2014 Pulsed-bed atomic layer deposition setup for powder coating Powder Technol. 267 201–7
Crossref Google Scholar
[22]

Duan C L, Deng Z, Cao K, Yin H F, Shan B and Chen R 2016 Surface passivation of Fe3O4 nanoparticles with Al2O3 via atomic layer deposition in a rotating fluidized bed reactor J. Vac. Sci. Technol. A 34 04C103
Crossref Google Scholar
[23]

Barletta D, Donsì G, Ferrari G, Poletto M and Russo P 2008 The effect of mechanical vibration on gas fluidization of a fine aeratable powder Chem. Eng. Res. Des. 86 359–69
Crossref Google Scholar
[24]

Park S W, Kim J W, Choi H J and Shim J H 2014 Vibration atomic layer deposition for conformal nanoparticle coating J. Vac. Sci. Technol. A 32 01A115
Crossref Google Scholar
[25]

Jin W J, van Ommen J R and Kleijn C R 2019 Moving reaction fronts in fractal nanoparticle agglomerates Chem. Eng. Sci. 206 180–6
Crossref Google Scholar
[26]

van der Hoef M A, van Sint Annaland M, Deen N G and Kuipers J A M 2008 Numerical simulation of dense gas-solid fluidized beds: a multiscale modeling strategy Annu. Rev. Fluid Mech. 40 47–70
Crossref Google Scholar
[27]

Duan C L, Zhu P H, Deng Z, Li Y, Shan B, Fang H S, Feng G and Chen R 2017 Mechanistic modeling study of atomic layer deposition process optimization in a fluidized bed reactor J. Vac. Sci. Technol. A 35 01B102
Crossref Google Scholar
[28]

Wang S Y, Chen Y J, Jia Y B, Tian R C, Sun Q J, Fan J W and Ma Y M 2018 Numerical simulation of flow behavior of particles in a gas-solid stirred fluidized bed Powder Technol. 338 119–28
Crossref Google Scholar
[29]

Kawaguchi T, Tanaka T and Tsuji Y 1998 Numerical simulation of two-dimensional fluidized beds using the discrete element method (comparison between the two- and three-dimensional models) Powder Technol. 96 129–38
Crossref Google Scholar
[30]

Wu Y, Liu D Y, Ma J L and Chen X P 2018 Effects of gas-solid drag model on Eulerian–Eulerian CFD simulation of coal combustion in a circulating fluidized bed Powder Technol. 324 48–61
Crossref Google Scholar
[31]

Zhong H B, Zhang Y N, Xiong Q G, Zhang J T, Zhu Y Q, Liang S R, Niu B and Zhang X Y 2020 Two-fluid modeling of a wet spouted fluidized bed with wet restitution coefficient model Powder Technol. 364 363–72
Crossref Google Scholar
[32]

Rossbach V, Padoin N, Meier H F and Soares C 2021 Influence of ultrasonic waves on the gas-solid flow and the solids dispersion in a CFB riser: numerical and experimental study Powder Technol. 389 430–49
Crossref Google Scholar
[33]

Rossbach V, Padoin N, Meier H F and Soares C 2020 Influence of acoustic waves on the solids dispersion in a gas-solid CFB riser: numerical analysis Powder Technol. 359 292–304
Crossref Google Scholar
[34]

Namdarkedenji R, Hashemnia K and Emdad H 2018 Effect of flow pulsation on fluidization degree of gas-solid fluidized beds by using coupled CFD-DEM Adv. Powder Technol. 29 3527–41
Crossref Google Scholar
[35]

Zhang Y, Jia Y, Xu J, Wang J W, Duan C L, Ge W and Zhao Y M 2020 CFD intensification of coal beneficiation process in gas-solid fluidized beds Chem. Eng. Process. Process Intensif. 148 107825
Crossref Google Scholar
[36]

Liu D Y, van Wachem B G M, Mudde R F, Chen X P and van Ommen J R 2016 An adhesive CFD-DEM model for simulating nanoparticle agglomerate fluidization AIChE J. 62 2259–70
Crossref Google Scholar
[37]

Zhu L and Tang Y 2020 Effects of acoustic fields on the dynamics of micron-sized particles in a fluidized bed Powder Technol. 372 625–37
Crossref Google Scholar
[38]

Rahimi M, Shahhosseini S and Movahedirad S 2019 Hydrodynamic and mass transfer investigation of oxidative desulfurization of a model fuel using an ultrasound horn reactor Ultrason. Sonochem. 52 77–87
Crossref Google Scholar
[39]

Liu R, Liu Y and Liu C Z 2013 Development of an efficient CFD-simulation method to optimize the structure parameters of an airlift sonobioreactor Chem. Eng. Res. Des. 91 211–20
Crossref Google Scholar
[40]

Khadilkar A, Rozelle P L and Pisupati S V 2014 Models of agglomerate growth in fluidized bed reactors: critical review, status and applications Powder Technol. 264 216–28
Crossref Google Scholar
[41]

Liu D Y, Wang Z, Chen X P and Liu M L 2018 Simulation of agglomerate breakage and restructuring in shear flows: coupled effects of shear gradient, surface energy and initial structure Powder Technol. 336 102–11
Crossref Google Scholar
[42]

Zhao X L, Li S Q, Liu G Q, Yao Q and Marshall J S 2008 DEM simulation of the particle dynamics in two-dimensional spouted beds Powder Technol. 184 205–13
Crossref Google Scholar
[43]

de Martín L and van Ommen J R 2013 A model to estimate the size of nanoparticle agglomerates in gas-solid fluidized beds J. Nanopart. Res. 15 2055
Crossref Google Scholar
[44]

Fabre A, Salameh S, Ciacchi L C, Kreutzer M T and van Ommen J R 2016 Contact mechanics of highly porous oxide nanoparticle agglomerates J. Nanopart. Res. 18 200
Crossref Google Scholar
[45]

Rahimi M, Movahedirad S and Shahhosseini S 2017 CFD study of the flow pattern in an ultrasonic horn reactor: introducing a realistic vibrating boundary condition Ultrason. Sonochem. 35 359–74
Crossref Google Scholar
[46]

Ge J Q, Ren Y L, Xu X S, Li C, Li Z A and Xiang W F 2021 Numerical and experimental study on the ultrasonic-assisted soft abrasive flow polishing characteristics Int. J. Adv. Manuf. Technol. 112 3215–33
Crossref Google Scholar
[47]

de Sarabia E R F, Gallego-Juárez J A, Rodríguez-Corral G, Elvira-Segura L and González-Gómez I 2000 Application of high-power ultrasound to enhance fluid/solid particle separation processes Ultrasonics 38 642–6
Crossref Google Scholar
[48]

Shi Y, Wei J H, Qiu J, Chu H B, Bai W W and Wang G Q 2020 Numerical study of acoustic agglomeration process of droplet aerosol using a three-dimensional CFD-DEM coupled model Powder Technol. 362 37–53
Crossref Google Scholar
[49]

Knoop C, Todorova Z, Tomas J and Fritsching U 2016 Agglomerate fragmentation in high-intensity acoustic standing wave fields Powder Technol. 291 214–22
Crossref Google Scholar
[50]

Ramasamy H V, Sinha S, Park J, Gong M, Aravindan V, Heo J and Lee Y S 2019 Enhancement of electrochemical activity of Ni-rich LiNi0.8Mn0.1Co0.1O2 by precisely controlled Al2O3 nanocoatings via atomic layer deposition J. Electrochem. Sci. Technol. 10 196–205
Crossref Google Scholar
International Journal of Extreme Manufacturing
Volume 4 Issue 2,
June 2022
Pages 025101-025101
DOI: 10.1088/2631-7990/ac529c
Cite this article:
Li Z, Xiang J, Liu X, et al. A combined multiscale modeling and experimental study on surface modification of high-volume micro-nanoparticles with atomic accuracy. International Journal of Extreme Manufacturing, 2022, 4(2): 025101. https://doi.org/10.1088/2631-7990/ac529c

291

Views

3

Downloads

9

Crossref

14

Web of Science

14

Scopus

0

CSCD

Altmetrics
Received: 15 October 2021
Revised: 08 December 2021
Accepted: 07 February 2022
Published: 23 February 2022
© 2022 The Author(s).

Original content from this work may be used under the terms of the Creative Commons Attribution 3.0 licence. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.
Return