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Investigating the effects of initial concentration and population distribution on the transport of aggregating nanoparticles in porous media
Advances in Water Resources ( IF 4.0 ) Pub Date : 2023-05-30 , DOI: 10.1016/j.advwatres.2023.104475
Vasileios E. Katzourakis , Constantinos V. Chrysikopoulos

In order to investigate the migration of nanoparticles in porous media, the model developed by Katzourakis and Chrysikopoulos (2021) is applied to simulate the transport of aggregating nanoparticles under various initial conditions. In the aforementioned model, nanoparticles may collide with each other and form larger particle structures with different mobility and reactivity characteristics. Individual particles as well as aggregates can be found suspended in aqueous phase or attached, reversibly and/or irreversibly, on the solid matrix. The aggregation process modelled after the Smoluchowski population balanced equation (PBE), is coupled with the conventional advection-dispersion-attachment (ADA) equation to form a system of coupled equations that govern the transport of aggregating nanoparticles. Particle collisions are expected to increase exponentially with increasing initial number of injected particles (N0). Therefore, substantially pronounced aggregation is expected when N0 is increased. Similarly, the initial particle diameter distribution of the injected particles is expected to affect the average size of aggregates and in turn influence their mobility in a porous medium. Several model simulations were performed with different N0 and particle diameter distributions. The results indicated the strong importance of taking into account the initial particle concentration and realistic particle diameter population distribution into consideration.



中文翻译:

研究初始浓度和种群分布对聚集纳米粒子在多孔介质中传输的影响

为了研究纳米粒子在多孔介质中的迁移,应用 Katzourakis 和 Chrysikopoulos (2021) 开发的模型来模拟聚集纳米粒子在各种初始条件下的传输。在上述模型中,纳米粒子可能相互碰撞并形成具有不同流动性和反应性特征的更大粒子结构。可以发现单个颗粒以及聚集体悬浮在水相中或可逆和/或不可逆地附着在固体基质上。以 Smoluchowski 布居平衡方程 (PBE) 为模型的聚集过程与传统的平流-色散-附着 (ADA) 方程耦合,形成一个控制聚集纳米粒子传输的耦合方程系统。0)。因此,当N 0增加时,预期显着聚集。类似地,注入颗粒的初始粒径分布预计会影响聚集体的平均尺寸,进而影响它们在多孔介质中的流动性。用不同的N 0和粒径分布进行了几种模型模拟。结果表明考虑初始粒子浓度和实际粒子直径分布的重要性。

更新日期:2023-05-30
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