Reactive transport codes for subsurface environmental simulation

By C. Steefel, C. Appelo, B. Arora, Diederik Jacques, T. Kalbacher, Olaf Kolditz, V. Lagneau, P. Lichtner, K. Mayer, J. Meeussen and 7 more. Computational Geosciences, 2015

784 citations recorded by the source corpus.

A general description of the mathematical and numerical formulations used in modern numerical reactive transport codes relevant for subsurface environmental simulations is presented. The formulations are followed by short descriptions of commonly used and available subsurface simulators that consider continuum representations of flow, transport, and reactions in porous media. These formulations are applicable to most of the subsurface environmental benchmark problems included in this special issue. The list of codes described briefly here includes PHREEQC, HPx, PHT3D, OpenGeoSys (OGS), HYTEC, ORCHESTRA, TOUGHREACT, eSTOMP, HYDROGEOCHEM, CrunchFlow, MIN3P, and PFLOTRAN. The descriptions include a high-level list of capabilities for each of the codes, along with a selective list of applications that highlight their capabilities and historical development.

Subfields: Civil and Structural Engineering, Environmental Engineering

View Paper: https://www.semanticscholar.org/paper/2feaa84399caed7427f1d7546578522f8f77ec93

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Civil and Structural Engineering

In Environmental Engineering

Citations in the corpus

Modeling Soil Processes: Review, Key Challenges, and New Perspectives (2016, methodology): “A number of numerical tools have been developed during the last decade VZJ | Advancing Critical Zone Science p. 15 of 57 accounting for these interactions, mainly based on principles of thermodynamic equilibrium (Steefel et al., 2014).”
Diffusivity of saturated ordinary Portland cement-based materials: A critical review of experimental and analytical modelling approaches (2016, methodology): “Fick's first law is purely phenomenological and for the case of ionic species, diffusion is more rigorously described using Nernst–Planck equation which for i ionic species is given as [41]:”
Expanding the role of reactive transport models in critical zone processes (2017, background): “RTMs have played a key role in understanding and predicting coupled water and chemical mass transfer in environmentally relevant applications, including: bioremediation (Druhan et al., 2012; Li et al., 2009; Steefel et al., 2014; Yabusaki et al., 2011; Zachara et al., 2013); natural attenuation (Che”
Reactive Transport in Evolving Porous Media (2019, background): “In another study, it was possible to reproduce the wormholing processes by direct simulation at the pore scale (Molins 2015).”