CFD simulation of ZnO nanoparticle precipitation in a supercritical water synthesis reactor

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• 作者：Antoine Leybros ; Romain Piolet ; Moustapha Ariane ; Herv¨¦ Muhr ; Fr¨¦d¨¦ric Bernard ; Fr¨¦d¨¦ric Demoisson
• 关键词：Supercritical water ; Population balance ; Nanoparticles ; Computational Fluid Dynamics
• 刊名：The Journal of Supercritical Fluids
• 出版年：2012
• 出版时间：October, 2012
• 年：2012
• 卷：70
• 期：Complete
• 页码：17-26
• 全文大小：1532 K

文摘

Continuous hydrothermal flow synthesis process has shown great advantages concerning the control of particle size and morphology through the optimization of supercritical water processing parameters. In particular, micromixing is a key issue of the process for controlling the nucleation mechanism. A Computational Fluid Dynamics (CFD) model is suggested for nanoparticle size determination using a population balance approach. Models for reaction kinetics, thermodynamics, nucleation and growth are presented. The effects of base concentration and hydrodynamics are investigated. Results show that the CFD may be valuable simulation tool for controlling the size and the shape of nanoparticles from a good adjustment of processing parameters. However, some additional knowledge on nucleation, crystal growth and aggregation mechanisms are useful in order to get a better agreement.