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首页> 外文期刊>Journal of Contaminant Hydrology >Modeling coupled nanoparticle aggregation and transport in porous media: A Lagrangian approach
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Modeling coupled nanoparticle aggregation and transport in porous media: A Lagrangian approach

机译：在多孔介质中模拟耦合的纳米颗粒聚集和运输：拉格朗日方法

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摘要

Changes in nanoparticle size and shape due to particle-particle interactions (i.e., aggregation or agglomeration) may significantly alter particle mobility and retention in porous media. To date, however, few modeling studies have considered the coupling of transport and particle aggregation processes. The majority of particle transport models employ an Eulerian modeling framework and are, consequently, limited in the types of collisions and aggregate sizes that can be considered. In this work, a more general Lagrangian modeling framework is developed and implemented to explore coupled nanoparticle aggregation and transport processes. The model was verified through comparison of model simulations to published results of an experimental and Eulerian modeling study (Raychoudhury et al., 2012) of carboxymethyl cellulose (CMC)-modified nano-sized zero-valent iron particle (nZVI) transport and retention in water-saturated sand columns. A model sensitivity analysis reveals the influence of influent particle concentration (ca. 70 to 700 mg/L), primary particle size (10-100 nm) and pore water velocity (ca. 1-6 m/day) on particle-particle, and, consequently, particle-collector interactions. Model simulations demonstrate that, when environmental conditions promote particle-particle interactions, neglecting aggregation effects can lead to under- or over-estimation of nanoparticle mobility. Results also suggest that the extent to which higher order particle-particle collisions influence aggregation kinetics will increase with the fraction of primary particles. This work demonstrates the potential importance of time-dependent aggregation processes on nanoparticle mobility and provides a numerical model capable of capturing/describing these interactions in water-saturated porous media.
机译：由于颗粒-颗粒相互作用（即聚集或团聚）而导致的纳米颗粒尺寸和形状的变化可显着改变颗粒在多孔介质中的迁移率和保留率。然而，迄今为止，很少有模型研究考虑到运输和颗粒聚集过程的耦合。大多数粒子传输模型采用欧拉建模框架，因此在可以考虑的碰撞类型和聚集体大小方面受到限制。在这项工作中，开发并实现了一个更通用的拉格朗日建模框架，以探索耦合的纳米粒子聚集和运输过程。通过将模型模拟与羧甲基纤维素（CMC）改性的纳米零价铁颗粒（nZVI）在纳米管中的迁移和保留的实验和欧拉建模研究的结果（Raychoudhury等，2012）进行比较，验证了模型的正确性。水饱和砂柱。模型敏感性分析揭示了进水颗粒浓度（约70至700 mg / L），初级粒径（10-100 nm）和孔隙水速度（约1-6 m / day）对颗粒的影响，因此，粒子-收集器之间的相互作用。模型仿真表明，当环境条件促进颗粒间相互作用时，忽略聚集效应会导致对纳米颗粒迁移率的低估或高估。结果还表明，较高级粒子间碰撞影响聚集动力学的程度将随一次粒子的分数而增加。这项工作证明了时间依赖性聚集过程对纳米颗粒迁移率的潜在重要性，并提供了一个能够捕获/描述水饱和多孔介质中这些相互作用的数值模型。

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  • 来源
    《Journal of Contaminant Hydrology》 |2015年第1期|48-60|共13页
  • 作者

    Amir Taghavy; Kurt D. Pennell; Linda M. Abriola;

  • 作者单位

    Department of Civil and Environmental Engineering, Tufts University, 200 College Ave, Medford, MA 02155, United States;

    Department of Civil and Environmental Engineering, Tufts University, 200 College Ave, Medford, MA 02155, United States;

    Department of Civil and Environmental Engineering, Tufts University, 200 College Ave, Medford, MA 02155, United States;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    Nanoparticles; Aggregation; Transport; Porous media; Particle-tracking; Numerical model; Lagrangian;

    机译：纳米颗粒;聚合;运输;多孔介质粒子跟踪;数值模型拉格朗日;

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