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Simulation of coating and agglomeration of nanoparticles in a fluidized bed

Simulation of coating and agglomeration of nanoparticles in a fluidized bed. PhD. Student: Wenjie Jin Phone: +31 15 278 2133 Thesis a dvisor: Dr. Ruud van Ommen E-mail: W.Jin-1@tudelft.nl Supervisor: Prof. Chris Kleijn URL: Research group: PPE/TP Research school:

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Simulation of coating and agglomeration of nanoparticles in a fluidized bed

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  1. Simulation of coating and agglomeration of nanoparticles in a fluidized bed PhD. Student: Wenjie Jin Phone: +31 15 278 2133 Thesis advisor: Dr. Ruud van Ommen E-mail: W.Jin-1@tudelft.nl Supervisor: Prof. Chris Kleijn URL: Research group: PPE/TP Research school: Supported by: ERC-Grant Period: Nov 2012 – Nov 2016 • Core-shell nanoparticle • Core-shell nanoparticles have much-highlighted potential applications in heterogeneous catalysis, energy storage and medical applications. However, there is no clear idea yet how to make large quantities and it is essentially limited to labscale processes. • Aim • My research focuses on the coating of nanoparticles in the gas phase fluidized bed with atomic layer deposition (ALD): a technique from the semi-conductor industry that can deposit a wide range of materials. • Due to the cohesive forces between particles, the nanoparticles are fluidized as dynamic agglomerates instead of single particles. The challenge is to understand the dynamic agglomeration process in gas flows during coating, such that uniform coatings can be made. • The aim of this project is to obtain insight on the underlying physics of the nanoparticle agglomeration and ALD process. • A numerical simulation with particle level resolution would be a powerful tool to study the agglomeration and breakup mechanism of the nanoparticles and also the surface reaction in ALD process. • Direct Simulation Monte Carlo (DSMC) is such a method that can achieve correct physics at rarefied gas flow without any continuum assumptions. • Since the relevant length scales range from nanometers for a single particle to several microns for agglomerates and from microns to few meters for a fluidized bed, a multi-scale modeling approach is well expected. • Then the information that extracted from the particle level simulation could serve as a closure for the relatively well developed macro-scale (fluidized bed scale) simulations to achieve a complete picture of the ALD with fluidization.

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