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首页> 外文学位 >Multiple Particle Types for Modeling Particle - Associated Contaminant Transport: Towards a Particle Based Transport Model for Hydrophobic Organic Chemicals in Aquatic Systems.
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Multiple Particle Types for Modeling Particle - Associated Contaminant Transport: Towards a Particle Based Transport Model for Hydrophobic Organic Chemicals in Aquatic Systems.

机译：用于建模与粒子相关的污染物迁移的多种粒子类型：建立基于粒子的水生系统中疏水性有机化学品的迁移模型。

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摘要

This research is designed to investigate the potential need to incorporate multiple particle types, rather than a single particle type, to accurately model particle associated hydrophobic contaminant transport in aquatic systems. A significant component is the introduction of a particle based modeling approach that is able to incorporate multiple particle properties such as size, density, settling rate, organic carbon fraction, and equilibrium partitioning coefficient. The two main hypotheses driving this research are: (1) more than one particle type must be considered when modeling contaminant transport, where particle type is defined in terms of the above properties; and (2) the particle based method is a better alternative for incorporating multiple particle types in the model, compared with standard mass concentration based methods. In order to evaluate these two hypotheses, calculations for sediment and contaminant concentrations were performed for a single mixed reactor and for multiple reactors in series using both the particle concentration based and standard mass concentration based methods. Equilibrium partitioning is assumed, and particles do not interact with each other, although the particle based approach provides a convenient framework for incorporating such interactions, as well as particle source tracking. The single mixed reactor provides a simple, convenient system that allows for analytical solutions of the mass balance equations to check numerical solutions, and in which the impact of using multiple particle types may be demonstrated in isolation from other possibly complicating factors. Calculations for multiple reactors further demonstrate the differences found between models based on single and multiple particle types, and serve as a first test of the model in a spatially resolved system. Application of the results is also discussed within the context of building a three-dimensional particle and contaminant transport model, where the multiple particle approach and chemical partitioning calculations would be combined with a particle tracking model.;Results from this research show the degree to which calculated sediment and contaminant concentrations may differ when a single (average) particle is used in sediment and contaminant transport calculations, compared with results obtained using multiple particle types. The magnitude of this difference depends on the actual distributions of particle properties, but in general it is found that using five to ten particle types is usually sufficient. Experience gained through preliminary development of a three-dimensional model using the particle based method also shows the ease with which multiple particle types with different properties may be incorporated, and suggests this is a more convenient approach than the typical control volume based calculations, which would require solving a mass balance equation for every particle type considered.
机译：这项研究旨在调查潜在的需要，以合并多个粒子类型，而不是单个粒子类型，以准确地模拟水生系统中与粒子相关的疏水性污染物的迁移。一个重要的组成部分是引入了基于粒子的建模方法，该方法能够合并多个粒子属性，例如尺寸，密度，沉降速率，有机碳分数和平衡分配系数。推动这项研究的两个主要假设是：（1）在对污染物的传输进行建模时，必须考虑一种以上的颗粒类型，其中，根据上述特性定义了颗粒类型； （2）与基于标准质量浓度的方法相比，基于颗粒的方法是在模型中合并多种颗粒类型的更好选择。为了评估这两个假设，使用基于颗粒浓度和基于标准质量浓度的方法对单个混合反应器和串联的多个反应器进行了沉积物和污染物浓度的计算。尽管基于粒子的方法为合并此类相互作用以及粒子源跟踪提供了便利的框架，但假定进行了平衡分配，并且粒子之间不会相互作用。单个混合反应器提供了一种简单，方便的系统，该系统允许使用质量平衡方程的解析解来检查数值解，并且可以在不考虑其他可能复杂因素的情况下证明使用多种颗粒类型的影响。多个反应堆的计算进一步证明了基于单个和多个粒子类型的模型之间的差异，并在空间分辨系统中用作模型的首次测试。在构建三维粒子和污染物传输模型的背景下，还将讨论结果的应用，其中将多粒子方法和化学分区计算与粒子跟踪模型结合起来；该研究的结果表明了当使用单个（平均）颗粒进行沉积物和污染物迁移计算时，与使用多种颗粒类型获得的结果相比，计算得出的沉积物和污染物浓度可能会有所不同。这种差异的大小取决于颗粒性质的实际分布，但通常发现通常使用五到十种颗粒类型就足够了。通过使用基于粒子的方法初步开发三维模型所获得的经验还表明，可以轻松地合并具有不同属性的多种粒子类型，并且表明这是一种比基于典型控制体积的计算更为便捷的方法，该方法将需要针对所考虑的每种粒子类型求解质量平衡方程。

著录项

  • 作者

    Hu, Sheng.;

  • 作者单位

    State University of New York at Buffalo.;

  • 授予单位 State University of New York at Buffalo.;
  • 学科 Chemistry Organic.;Engineering Environmental.;Engineering Chemical.
  • 学位 M.S.
  • 年度 2011
  • 页码 152 p.
  • 总页数 152
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

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