Numerical simulation of oxide nanoparticle growth characteristics under the gas detonation chemical reaction by space-time conservation element–solution element method--颗粒学报PARTICUOLOGY

Luo, N., Shen, H., Jing, H., Ma, Z., & Yang, W. (2017). Numerical simulation of oxide nanoparticle growth characteristics under the gas detonation chemical reaction by space-time conservation element–solution element method. Particuology, 35, 78-83. https://doi.org/10.1016/j.partic.2017.01.006

Numerical simulation of oxide nanoparticle growth characteristics under the gas detonation chemical reaction by space-time conservation element–solution element method

Ning Luo ^{a b *}, Hua Shen ^c, Hongwen Jing ^a, Zhangguo Ma ^a, Weiming Yang ^a

a State Key Laboratory for Geo-mechanics and Deep Underground Engineering, School of Mechanics and Civil Engineering, China University of Mining and Technology, Xuzhou 221116, China
b Laboratory for Precision and Nano Processing Technologies, School of Mechanical and Manufacturing Engineering, The University of New South Wales, Sydney 2052, Australia
c Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871, China

10.1016/j.partic.2017.01.006

Volume 35, December 2017, Pages 78-83

Received 21 April 2016, Revised 17 November 2016, Accepted 17 January 2017, Available online 12 June 2017, Version of Record 30 November 2017.

E-mail: nluo@cumt.edu.cn

Highlights

• The nanoscale particle growth characteristics were simulated by CE/SE algorithm with Kruis model.

• This approach simulated the characteristics of detonation chemical reactions.

• This approach captured the characteristics of nanosize particle growth and size distribution

Abstract

Under harsh conditions (such as high temperature, high pressure, and millisecond lifetime chemical reaction), a long-standing challenge remains to accurately predict the growth characteristics of nanosize spherical particles and to determine the rapid chemical reaction flow field characteristics. The growth characteristics of similar spherical oxide nanoparticles are further studied by successfully introducing the space-time conservation element–solution element (CE/SE) algorithm with the monodisperse Kruis model. This approach overcomes the nanosize particle rapid growth limit set and successfully captures the characteristics of the rapid gaseous chemical reaction process. The results show that this approach quantitatively captures the characteristics of the rapid chemical reaction, nanosize particle growth and size distribution. To reveal the growth mechanism for numerous types of oxide nanoparticles, it is very important to choose a rational numerical method and particle physics model.

Graphical abstract

Keywords

Oxide nanoparticles; Growth characteristics; Space-time conservation element–solution element method; Kruis model; Gas detonation

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