具有非线性附着力的聚合纳米粒子传输:建模与实验验证

IF 4 2区 环境科学与生态学 Q1 WATER RESOURCES
Vasileios E. Katzourakis , Constantinos V. Chrysikopoulos
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引用次数: 0

摘要

建立了一个概念数学模型,用于模拟纳米粒子在均质、水饱和、一维多孔介质中的迁移。该模型假定纳米粒子可以相互碰撞并聚集在一起。纳米颗粒可以可逆和/或不可逆地附着在含水层的固体基质上,或悬浮在水相中。附着的颗粒可能会加速后续颗粒的沉积,也可能会阻碍沉积,分别导致成熟或阻塞过程。根据斯莫卢霍夫斯基种群平衡方程(PBE)对聚集过程进行了模拟,并与平流-分散-附着方程(ADA)相结合,形成了控制纳米粒子在多孔介质中迁移的偏微分方程族。在求解偏微分方程时,采用了高效的有限体积求解器,通过减少参与方程的数量,大大加快了计算时间,同时保持了所需的精度。开发的模型被应用于文献中的纳米粒子传输实验数据。该模型成功地匹配了突破浓度曲线,并估算了相应的纳米粒子直径,证明了其捕捉参与纳米粒子传输的物理过程的能力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Aggregating nanoparticle transport with nonlinear attachment: Modeling and experimental validation
A conceptual mathematical model was developed to simulate the transport of migrating nanoparticles in homogeneous, water saturated, 1-dimensional porous media. The model assumes that nanoparticles can collide with each other and aggregate. Nanoparticles can be found attached reversibly and/or irreversibly onto the solid matrix of the aquifer or suspended in aqueous phase. Attached particles may either contribute to the acceleration of subsequent particle deposition or hinder it, leading to the ripening or blocking process, respectively. The aggregation process was simulated based on the Smoluchowski Population Balance Equation (PBE) and was coupled with the advection-dispersion-attachment equation (ADA) to form a family of partial differential equations that govern the migration of nanoparticles in porous media. For the solution of the PBE, an efficient finite volume solver was employed that significantly accelerated computation times, by reducing the number of participating equations, while maintaining the required accuracy. The developed model was applied to nanoparticle transport experimental data available in literature. The model successfully matched the breakthrough concentration curves, and estimated the corresponding nanoparticle diameter, proving its ability to capture the physical processes participating in nanoparticle transport.
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来源期刊
Advances in Water Resources
Advances in Water Resources 环境科学-水资源
CiteScore
9.40
自引率
6.40%
发文量
171
审稿时长
36 days
期刊介绍: Advances in Water Resources provides a forum for the presentation of fundamental scientific advances in the understanding of water resources systems. The scope of Advances in Water Resources includes any combination of theoretical, computational, and experimental approaches used to advance fundamental understanding of surface or subsurface water resources systems or the interaction of these systems with the atmosphere, geosphere, biosphere, and human societies. Manuscripts involving case studies that do not attempt to reach broader conclusions, research on engineering design, applied hydraulics, or water quality and treatment, as well as applications of existing knowledge that do not advance fundamental understanding of hydrological processes, are not appropriate for Advances in Water Resources. Examples of appropriate topical areas that will be considered include the following: • Surface and subsurface hydrology • Hydrometeorology • Environmental fluid dynamics • Ecohydrology and ecohydrodynamics • Multiphase transport phenomena in porous media • Fluid flow and species transport and reaction processes
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