Reactive transport codes for subsurface environmental simulation
Carl I. Steefel,C. A. J. Appelo,Bhavna Arora,Diederik Jacques,Thomas Kalbacher,Olaf Kolditz,Vincent Lagneau,Peter C. Lichtner,K. U. Mayer,Johannes C. L. Meeussen,Sergi Molins,David Moulton,Haibing Shao,Jirka Šimůnek,Nicolas Spycher,Steven B. Yabusaki,Gour Tsyh Yeh +16 more
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TLDR
A general description of the mathematical and numerical formulations used in modern numerical reactive transport codes relevant for subsurface environmental simulations is presented, along with a selective list of applications that highlight their capabilities and historical development.Abstract:
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.read more
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Modeling Soil Processes: Review, Key Challenges, and New Perspectives
Harry Vereecken,Andrea Schnepf,Jan W. Hopmans,Mathieu Javaux,Dani Or,Tiina Roose,Jan Vanderborght,Michael H. Young,Wulf Amelung,Matt Aitkenhead,Steven D. Allison,Shmuel Assouline,Philippe C. Baveye,Markus Berli,Nicolas Brüggemann,Peter Finke,Markus Flury,Thomas Gaiser,Gerard Govers,Teamrat A. Ghezzehei,Paul D. Hallett,Harrie-Jan Hendricks Franssen,J. Heppell,Rainer Horn,Johan Alexander Huisman,Diederik Jacques,François Jonard,Stefan Kollet,François Lafolie,Krzysztof Lamorski,Daniel Leitner,Alex B. McBratney,Budiman Minasny,Carsten Montzka,Wolfgang Nowak,Ya. A. Pachepsky,José Padarian,Nunzio Romano,Kurt Roth,Youri Rothfuss,Edwin C. Rowe,Andreas Schwen,Jirka Šimůnek,Aaldrik Tiktak,J.C. van Dam,S.E.A.T.M. van der Zee,Hans-Jörg Vogel,Jasper A. Vrugt,Thomas Wöhling,Iain M. Young +49 more
TL;DR: Key challenges in modeling soil processes are identified, including the systematic incorporation of heterogeneity and uncertainty, the integration of data and models, and strategies for effective integration of knowledge on physical, chemical, and biological soil processes.
Journal ArticleDOI
Expanding the role of reactive transport models in critical zone processes
Li Li,Kate Maher,Alexis Navarre-Sitchler,Jennifer L. Druhan,Christof Meile,Corey R. Lawrence,Joel Moore,Julia Perdrial,Pamela L. Sullivan,Aaron Thompson,Lixin Jin,Edward W. Bolton,Susan L. Brantley,William E. Dietrich,K. Ulrich Mayer,Carl I. Steefel,Albert J. Valocchi,John M. Zachara,Benjamin D. Kocar,Jennifer C. McIntosh,Benjamin M. Tutolo,Mukesh Kumar,Eric Sonnenthal,Chen Bao,Joe Beisman +24 more
TL;DR: A review of multi-component Reactive Transport Models (RTMs) can be found in this article, where the authors present seven testable hypotheses that emphasize the unique capabilities of process-based RTMs for elucidating chemical weathering and its physical and biogeochemical drivers; understanding the interactions among roots, micro-organisms, carbon, water, and minerals in the rhizosphere; assessing the effects of heterogeneity across spatial and temporal scales; and integrating the vast quantity of novel data (genomics, transcriptomics, proteomics, metabolomics), elemental concentration and speciation
Journal ArticleDOI
The Role of Chemistry in Fracture Pattern Development and Opportunities to Advance Interpretations of Geological Materials
Stephen E. Laubach,R. H. Lander,Louise J. Criscenti,Lawrence M. Anovitz,János Urai,Ryan M. Pollyea,John N. Hooker,Wayne Narr,Mark Evans,S. N. Kerisit,Jon E. Olson,Thomas A. Dewers,Donald M. Fisher,Robert J. Bodnar,Brian Evans,Patricia M. Dove,Linda M. Bonnell,Michael Marder,Laura J. Pyrak-Nolte +18 more
TL;DR: In this article, the authors present the results of a workshop sponsored by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division that was held in Leesburg, Virginia in May 2016.
Journal ArticleDOI
Porosity–Permeability Relations for Evolving Pore Space: A Review with a Focus on (Bio-)geochemically Altered Porous Media
TL;DR: In this article, a review of porosity-permeability relations in simulation models on the REV scale is presented, with a focus on the porosity at which the porous medium becomes impermeable.
Journal ArticleDOI
Hydrologic issues associated with nuclear waste repositories
TL;DR: Significant progress in hydrology, especially in subsurface flow and solute transport, has been made over the last 35 years because of sustained interest in underground nuclear waste repositories as mentioned in this paper.
References
More filters
Journal ArticleDOI
A closed-form equation for predicting the hydraulic conductivity of unsaturated soils
van Genuchten,M. Th. +1 more
TL;DR: Van Genuchten et al. as mentioned in this paper proposed a closed-form analytical expression for predicting the hydraulic conductivity of unsaturated soils based on the Mualem theory, which can be used to predict the unsaturated hydraulic flow and mass transport in unsaturated zone.
Book
Dynamics of fluids in porous media
TL;DR: In this paper, the Milieux poreux Reference Record was created on 2004-09-07, modified on 2016-08-08 and the reference record was updated in 2016.
ReportDOI
User's guide to PHREEQC (Version 2)-a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations
David L. Parkhurst,C.A.J. Appelo +1 more
TL;DR: PHREEQC as discussed by the authors is a C program written in the C programming language that is designed to perform a wide variety of low-temperature aqueous geochemical calculations.
Book
Geochemistry, groundwater and pollution
TL;DR: In this paper, a comprehensive and quantitative approach to the study of groundwater quality is presented in order to predict what the effect of present-day human activities will be on that scale.
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