University of Waterloo, Department of Earth and Environmental Sciences, Ecohydrology, 200 University Avenue West, Waterloo, Ontario N2L 3G1, Canada; Helmholtz Zentrum München, Institute of Groundwater Ecology, Ingolstädter Landstr. 1, 85764 Neuherberg, Germany.
German Research Centre for Geoscience - GFZ, Hydrology, Telegrafenberg, 14473 Potsdam, Germany.
J Contam Hydrol. 2019 Jul;224:103481. doi: 10.1016/j.jconhyd.2019.04.004. Epub 2019 Apr 11.
Fate and transport of solutes in heterogeneous porous media is largely affected by diffusive mass exchange between mobile and immobile water zones. Since it is difficult to directly measure and determine the effect in the aquifers, multi-tracer experiments in combination with mathematical modeling are used to obtain quantitative information about unknown system parameters such as the effective mobile and immobile porosity, and the diffusive mass exchange between mobile and immobile water zones. The Single Fissure Dispersion Model (SFDM) describing nonreactive transport of solutes in saturated dual-porosity media, has been employed as a modeling approach to explain dual-porosity experiments in the field and laboratory (column experiments). SFDM optimization with conventional methods of minimization was immensely difficult due to its complex analytical form. Thus, previous studies used a trial and error procedure to fit it to the experimental observations. In this study, a rigorous optimization technique based on the newly developed scatter search method is presented that automatically minimizes the SFDM to find the optimal values of the hydrogeologically related parameters. The new program (OptSFDM) is accompanied with an easy-to-use graphical user interface (GUI) that is flexible and fully integrated. The program usability is showcased by a few, previously presented experimental case studies, and compared against the currently available, trial-and-error based, command-line executable, SFDM code.
溶质在非均质地层中的运移和归宿主要受到可动水和不可动水之间的扩散质量交换的影响。由于难以直接测量和确定含水层中的这种影响,因此多示踪剂实验与数学模型相结合,用于获取关于未知系统参数的定量信息,例如有效可动孔隙度和不可动孔隙度,以及可动水和不可动水之间的扩散质量交换。描述溶质在饱和双重孔隙介质中无反应运移的单裂隙弥散模型(SFDM)已被用作一种建模方法,用于解释野外和实验室中的双重孔隙实验(柱实验)。由于其复杂的解析形式,常规的最小化方法很难对 SFDM 进行优化。因此,先前的研究使用试错法来拟合实验观察结果。在这项研究中,提出了一种基于新开发的散射搜索方法的严格优化技术,该技术可自动对 SFDM 进行最小化,以找到与水文地质相关的参数的最优值。新程序(OptSFDM)配有一个易于使用的图形用户界面(GUI),该界面灵活且完全集成。通过几个之前提出的实验案例研究展示了程序的可用性,并与当前可用的基于试错的命令行可执行的 SFDM 代码进行了比较。