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Open AccessArticle

Particle-Based Workflow for Modeling Uncertainty of Reactive Transport in 3D Discrete Fracture Networks

1
Graduate Institute of Applied Geology, National Central University, Taoyuan City 32001, Taiwan
2
Center for Environmental Studies, National Central University, Taoyuan City 32001, Taiwan
*
Author to whom correspondence should be addressed.
Water 2019, 11(12), 2502; https://doi.org/10.3390/w11122502
Received: 28 October 2019 / Revised: 22 November 2019 / Accepted: 23 November 2019 / Published: 27 November 2019
(This article belongs to the Section Hydrology)
Fractures are major flow paths for solute transport in fractured rocks. Conducting numerical simulations of reactive transport in fractured rocks is a challenging task because of complex fracture connections and the associated nonuniform flows and chemical reactions. The study presents a computational workflow that can approximately simulate flow and reactive transport in complex fractured media. The workflow involves a series of computational processes. Specifically, the workflow employs a simple particle tracking (PT) algorithm to track flow paths in complex 3D discrete fracture networks (DFNs). The PHREEQC chemical reaction model is then used to simulate the reactive transport along particle traces. The study illustrates the developed workflow with three numerical examples, including a case with a simple fracture connection and two cases with a complex fracture network system. Results show that the integration processes in the workflow successfully model the tetrachloroethylene (PCE) and trichloroethylene (TCE) degradation and transport along particle traces in complex DFNs. The statistics of concentration along particle traces enables the estimations of uncertainty induced by the fracture structures in DFNs. The types of source contaminants can lead to slight variations of particle traces and influence the long term reactive transport. The concentration uncertainty can propagate from parent to daughter compounds and accumulate along with the transport processes.
Keywords: computational workflow; discrete fracture network; reactive transport; particle tracking; PHREEQC computational workflow; discrete fracture network; reactive transport; particle tracking; PHREEQC
MDPI and ACS Style

Vu, P.T.; Ni, C.-F.; Li, W.-C.; Lee, I.-H.; Lin, C.-P. Particle-Based Workflow for Modeling Uncertainty of Reactive Transport in 3D Discrete Fracture Networks. Water 2019, 11, 2502.

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