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Über dieses Buch

This tutorial provides the application of the coupling interface OGS#IPhreeqc (open-source scientific software) to model reactive mass transport processes in environmental subsurface systems. It contains general information regarding reactive transport modeling and step-by-step model set-up with OGS#IPhreeqc and related components such as GINA and ParaView. Benchmark examples (1D to 2D) are presented in detail. The book is intended primarily for graduate students and applied scientists who deal with reactive transport modeling. It also gives valuable information to the professional geoscientists wishing to advance their knowledge in numerical simulation, with the focus on the fate and transport of nitrate. It is the third volume in a series that represents the further application of computational modeling in hydrological science.



Chapter 1. Introduction

Reactive transport modeling is an important tool for the analysis of complex interactions between physically and hydro-bio-geo-chemically coupled processes in the subsurface. It is an effective method of assessing the relative importance and role of basic processes, which are otherwise treated as isolated, as it provides the opportunity to describe the interaction of competing processes on different spatial and temporal scales.
Thomas Kalbacher

Chapter 2. Methods

To simulate numerical reactive transport problems, OpenGeoSys(OGS), a scientific open-source software, is coupled to the IPhreeqc module of the geochemical solver PHREEQC(PQC). This new coupling scheme (hereinafter referred to as “OGS#IPhreeqc”) is capable of simulating various chemical reactions alongside different processes such as water flow and solute mass transport.
Eunseon Jang, Wenkui He

Chapter 3. Software Requirements and Installation

Before staring to simulate with OGS#IPhreeqc, an overview about the single software component and software installation will be introduced. Figure 3.1 summarizes the main important constituents. The software GINA, GMSH, and OGS Data Explorer can help to create model geometries and finite elements meshes. ParaView is applied for visualization and further post-processing steps.
Eunseon Jang, Johannes Boog

Chapter 4. File Description

In this chapter, the structure and content of the input files for setting up reactive transport models are described. First, OGS input file description will be presented (Sect. 4.1), and then, a short description of the PHREEQC input file will be followed (Sect. 4.2).
Eunseon Jang, Thomas Kalbacher

Chapter 5. Code Verification: Engesgaard Benchmark

The OGS#IPhreeqc coupling interface was tested and verified using several benchmarks which include degradation of chlorinated hydrocarbons (van Breukelen et al., Environ. Sci. Technol. 39(11), 4189–4197, 2005), mineral precipitation/dissolution (Engesgaard and Kipp, Water Resour. Res. 28(10), 2829–2843, 1992) and uranium leaching These benchmarks were described in details in He et al. (Geosci. Model. Dev. 8(10), 3333–3348, 2015).
Wenkui He

Chapter 6. Application: Nitrate Reduction Processes

The coupled reactive transport code (“OGS#IPhreeqc”) is applied to a pyrite-driven denitrification of nitrate-contaminated groundwater scenario. This nitrate reactive transport model is a simplification of the model involving both autotrophic and heterotrophic denitrification processes based on results from a field study in the Hessian Ried, Germany Kludt et al., (2016). For the interested reader, more detail information can be found in Jang et al., (2017).
Eunseon Jang

Chapter 7. Application: Treatment Wetlands

This chapter describes the implementation of a 2D steady-state reactive transport model (RTM) of a treatment wetland. Treatment wetlands are technologies used for handling wastewater and other contaminated types of water.
Johannes Boog

Erratum to: OpenGeoSys Tutorial

Without Abstract
Eunseon Jang, Johannes Boog, Wenkui He, Thomas Kalbacher


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