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- W2495287295 abstract "A new approach to optimizing process parameters and tailor-making TiO2 nanoparticles in flame was presented, based on combined use of computational fluid dynamics coupling with population balance-Monte Carlo (CFD-PBMC), orthogonal test, and experimental analysis. First, the CFD-PBMC simulation was established for acquiring the spatio-temporal evolution of the distributions of size, surface area and crystalline phase of nanoparticles and the profiles of other environmental variables. Reynolds averaged Navier–Stokes equations accompanied by k − ε turbulence model and species transport-eddy dissipation model were solved to obtain the flow fields of flame, whereby temperature and flow velocity as environment variables were used for PBMC simulation. Four critical particle dynamic events, nucleation, agglomeration, sintering and phase transformation, were included in PBMC for the first time, thereinto the phase transformation was well described by a stochastic un-reacted-core shrinking model, depending on exploratory analysis modeling, to obtain the content of anatase and rutile in each TiO2 nanoparticle. The CFD-PBMC simulation results for three typical TiO2-seeded flames are generally consistent with experimental results measured by the dual time-interval thermophoretic sampling (DTTS) method. Later, a standard L9 (43) orthogonal table including nine representative simulation schemes was implemented to look for the best process parameter for desired rutile content (>95 wt%) and particle size (<50 nm) of TiO2 product. The optimized design scheme was obtained after range analysis. Finally, experiments were carried out to evaluate the optimized prediction. The results show that an almost pure rutile product with the equivalent primary particle diameter 23.5 nm was attained at the optimized condition. This research not only provides an effective way to simulate the dynamic process of flame synthesized nanoparticles, but also has realized controllable synthesis and tailor-making via multiobjective optimization design of nanomaterials." @default.
- W2495287295 created "2016-08-23" @default.
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- W2495287295 date "2017-01-01" @default.
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- W2495287295 title "CFD-population balance Monte Carlo simulation and numerical optimization for flame synthesis of TiO2 nanoparticles" @default.
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- W2495287295 doi "https://doi.org/10.1016/j.proci.2016.07.008" @default.
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