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Title: Flexible and Modular Simultaneous Modeling of Flow and Reactive Transport in Rivers and Hyporheic Zones

Abstract

Investigations of coupled multiphysics processes in rivers and hyporheic zones have extensively used numerical models. Most existing models use a sequential, one-way coupling between the surface and subsurface domains. Such one-way coupling potentially introduces error. To overcome this, a fully coupled model, hyporheicFoam, was developed using the open-source computational platform OpenFOAM. It captures the coupled flow and multicomponent reactive transport processes within both surface and subsurface domains and across their interface. The coupling between two domains is implemented by mapping conservative flux boundary conditions at the interface through an iterative algorithm. Reactive transport is enabled by specifying a reaction network. To start, we have implemented reaction kinetics following the double Monod-type model with inhibition. The model capability is illustrated through modeling of both conservative and reactive hyporheic flow and transport through dune bedforms. With the novel coupled model, it is now possible to quantify reactions wherein the reactants and products are constantly exchanging between domains and have feedbacks. hyporheicFoam can simulate large, three-dimensional cases owing to the computational flexibility and power offered by the code structure and parallel design of OpenFOAM.

Authors:
 [1];  [1];  [2];  [3];  [2];  [4]
  1. Pennsylvania State University
  2. BATTELLE (PACIFIC NW LAB)
  3. University of Texas
  4. UNIVERSITY OF TEXAS
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER)
OSTI Identifier:
1729879
Report Number(s):
PNNL-SA-153132
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Water Resources Research
Additional Journal Information:
Journal Volume: 56; Journal Issue: 2
Country of Publication:
United States
Language:
English
Subject:
58 GEOSCIENCES

Citation Formats

Li, Bing, Liu, Xiaofeng, Kaufman, Matthew H., Turetcaia, Anna, Chen, Xingyuan, and Cardenas, Meinhard B. Flexible and Modular Simultaneous Modeling of Flow and Reactive Transport in Rivers and Hyporheic Zones. United States: N. p., 2020. Web. doi:10.1029/2019WR026528.
Li, Bing, Liu, Xiaofeng, Kaufman, Matthew H., Turetcaia, Anna, Chen, Xingyuan, & Cardenas, Meinhard B. Flexible and Modular Simultaneous Modeling of Flow and Reactive Transport in Rivers and Hyporheic Zones. United States. https://doi.org/10.1029/2019WR026528
Li, Bing, Liu, Xiaofeng, Kaufman, Matthew H., Turetcaia, Anna, Chen, Xingyuan, and Cardenas, Meinhard B. 2020. "Flexible and Modular Simultaneous Modeling of Flow and Reactive Transport in Rivers and Hyporheic Zones". United States. https://doi.org/10.1029/2019WR026528.
@article{osti_1729879,
title = {Flexible and Modular Simultaneous Modeling of Flow and Reactive Transport in Rivers and Hyporheic Zones},
author = {Li, Bing and Liu, Xiaofeng and Kaufman, Matthew H. and Turetcaia, Anna and Chen, Xingyuan and Cardenas, Meinhard B.},
abstractNote = {Investigations of coupled multiphysics processes in rivers and hyporheic zones have extensively used numerical models. Most existing models use a sequential, one-way coupling between the surface and subsurface domains. Such one-way coupling potentially introduces error. To overcome this, a fully coupled model, hyporheicFoam, was developed using the open-source computational platform OpenFOAM. It captures the coupled flow and multicomponent reactive transport processes within both surface and subsurface domains and across their interface. The coupling between two domains is implemented by mapping conservative flux boundary conditions at the interface through an iterative algorithm. Reactive transport is enabled by specifying a reaction network. To start, we have implemented reaction kinetics following the double Monod-type model with inhibition. The model capability is illustrated through modeling of both conservative and reactive hyporheic flow and transport through dune bedforms. With the novel coupled model, it is now possible to quantify reactions wherein the reactants and products are constantly exchanging between domains and have feedbacks. hyporheicFoam can simulate large, three-dimensional cases owing to the computational flexibility and power offered by the code structure and parallel design of OpenFOAM.},
doi = {10.1029/2019WR026528},
url = {https://www.osti.gov/biblio/1729879}, journal = {Water Resources Research},
number = 2,
volume = 56,
place = {United States},
year = {Fri Feb 28 00:00:00 EST 2020},
month = {Fri Feb 28 00:00:00 EST 2020}
}

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