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Effects of agglomerate characteristics on their collision kernels in the free molecular regime
Journal of Aerosol Science ( IF 4.5 ) Pub Date : 2021-09-09 , DOI: 10.1016/j.jaerosci.2021.105868
Weijia Qian 1, 2 , Andreas Kronenburg 1 , Xin Hui 3 , Yuzhen Lin 3 , Maximilian Karsch 1
Affiliation  

Collision frequencies of fractal clusters need to be modelled to predict cluster growth due to agglomeration. Here, we utilize Langevin dynamics to accurately capture the movement and collision of fractal agglomerates with various morphologies that are characterized by their size, fractal dimension, lacunarity and shape anisotropy in the free molecular regime. The simulations include rotational and translational movement and potential interactions between the agglomerates. The agglomerates move subject to Brownian motion and the simulations are designed such that collision rates can be directly deduced. Results show that collision radii scale with gyration radius but are also dependent on all the other characteristics. The lacunarity increases the collision radii while shape anisotropy can decrease them. The fractal dimension can increase the collision radii and its effect is dominant. The increasing effect of van der Waals forces on the collision radii is also quantified and found to be independent of the size of the agglomerates. A new linear model is proposed to predict collision radii to within 2.5% accuracy.



中文翻译:

自由分子状态下团聚体特性对其碰撞核的影响

需要对分形集群的碰撞频率进行建模,以预测由于聚集导致的集群增长。在这里,我们利用朗之万动力学准确捕获具有各种形态的分形团聚体的运动和碰撞,这些形态的特征在于它们在自由分子状态下的大小、分形维数、空隙度和形状各向异性。模拟包括旋转和平移运动以及团聚体之间的潜在相互作用。团聚体受布朗运动的影响而移动,并且模拟设计为可以直接推导出碰撞率。结果表明,碰撞半径与回转半径成比例,但也取决于所有其他特征。空隙增加了碰撞半径,而形状各向异性可以减少它们。分形维数可以增加碰撞半径,其效果占主导地位。范德华力对碰撞半径的增加影响也被量化并发现与团聚体的大小无关。提出了一种新的线性模型来预测碰撞半径,精度在 2.5% 以内。

更新日期:2021-09-17
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