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Partic. vol. 35 pp. 78-83 (December 2017)
doi: 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 Luoa, b, *, Hua Shenc, Hongwen Jinga, Zhangguo Maa, Weiming Yanga

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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