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Production of metallic iron nanoparticles in a baffled stirred tank reactor: Optimization via computational fluid dynamics simulation
Particuology ( IF 4.1 ) Pub Date : 2020-01-23 , DOI: 10.1016/j.partic.2019.12.005
Giorgio Vilardi , Nicola Verdone

The aim of this work is to optimize iron nanoparticle production in stirred tank reactors equipped with two classical impellers: Rushton and four-pitched blade turbines, which are largely used in batch industrial synthesis and efficient scale-up. The main operative parameters of nanoparticle synthesis are the precursor initial concentration, reducing agent/precursor molar ratio, impeller–tank clearance, and impeller rotational velocity. These parameters were varied during the synthesis to find the optimal operating values based on the Fe(0) (%) production, zeta potential, particle size distribution, and powder X-ray diffraction pattern obtained. We found that the optimal operating conditions for nanoparticle production were an impeller velocity of 1500 rpm, initial iron precursor concentration of 20 mM, molar ratio of reducing agent to iron precursor of 3 mol/mol, and impeller clearance of 0.25 and 0.4 times the vessel diameter for Rushton and four-pitched blade impellers, respectively. Setting these conditions achieved a total conversion of 0.94–0.98 and yielded a product with a unimodal size distribution and average diameters in the range 30–50 nm. The computational fluid dynamics results agreed with the expectations, and the obtained mixing Damkohler numbers show that the process is mixed controlled.



中文翻译:

折流板搅拌釜反应器中金属铁纳米颗粒的生产:通过计算流体动力学模拟进行优化

这项工作的目的是优化配备两个经典叶轮的搅拌釜反应器中的铁纳米颗粒生产:Rushton和四螺距叶片式涡轮机,这些涡轮机主要用于批量工业合成和高效放大。纳米颗粒合成的主要操作参数是前驱物初始浓度,还原剂/前体摩尔比,叶轮-油箱间隙和叶轮转速。这些参数在合成过程中有所变化,以基于Fe(0)(%)的产生,ζ电势,粒度分布和获得的粉末X射线衍射图找到最佳操作值。我们发现,生产纳米颗粒的最佳操作条件是叶轮速度为1500 rpm,初始铁前体浓度为20 mM,还原剂与铁前体的摩尔比为3 mol / mol,叶轮间隙分别为Rushton和四节距叶片叶轮的容器直径的0.25和0.4倍。设置这些条件可实现0.94-0.98的总转化率,并产生具有单峰尺寸分布且平均直径在30-50 nm范围内的产品。计算流体动力学结果与期望值相符,并且获得的混合Damkohler数表明该过程是混合控制的。

更新日期:2020-01-23
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