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Description of Input and Examples for PHREEQC Version 3?A Computer Program for Speciation, Batch-Reaction, One-Dimensional Transport, and Inverse Geochemical Calculations

TL;DR: A selection of photos from the 2016/17 USGS report on quantitative hazard assessments of earthquake-triggered landsliding and liquefaction in the Czech Republic.
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TL;DR: 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.

600 citations


Cites methods from "Description of Input and Examples f..."

  • ...PHREEQC is a computer program developed by Parkhurst and Appelo designed to perform a variety of aqueous geochemical calculations [60, 61]....

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Journal ArticleDOI
TL;DR: The Cemdata18 database as mentioned in this paper contains thermodynamic data for common cement hydrates such as C-S-H, AFm and AFt phases, hydrogarnet, hydrotalcite, zeolites, and M-S -H that are valid over temperatures ranging from 0 to at least 100°C.

526 citations

Journal ArticleDOI
TL;DR: It is concluded that future research in the field of soil Salinisation should be focused on among others carbon dynamics of saline soil, further exploration of remote sensing of soil properties and the harmonization and enrichment of soil salinity maps across Europe within a general context of a soil threat monitoring system to support policies and strategies for the protection of European soils.

431 citations

Journal ArticleDOI
TL;DR: In this article, the acid mine drainage is the most prevalent and damaging environmental concern associated with mining activities, and the potential for the generation of saline, basic and neutral drainage containing elevated concentrations of dissolved metals, non-metals, and metalloids has recently been recognized as a potential environmental concern.

362 citations


Cites methods from "Description of Input and Examples f..."

  • ...…characterization of the site after underground excavations were made accessible combined with years of interpretive techniques for water chemistry (Alpers et al., 2003; Nordstrom et al., 2000; Glynn and Plummer, 2005; Plummer et al., 1990; Parkhurst and Appelo, 2013; Pitzer et al., 1977)....

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Journal ArticleDOI
TL;DR: The existing definitions of heavy metal bioavailability in relation to plant uptake (phytoavailability) and methods for measuring bioavailability based on both chemical extractions and mechanistic geochemical models were reviewed in order to better understand both the conceptual and operational aspects of bioavailability.
Abstract: Worldwide regulatory frameworks for the assessment and remediation of contaminated soils have moved towards a risk-based approach, taking contaminant bioavailability into consideration. However, there is much debate on the precise definition of bioavailability and on the standardization of methods for the measurement of bioavailability so that it can be reliably applied as a tool for risk assessment. Therefore, in this paper, we reviewed the existing definitions of heavy metal bioavailability in relation to plant uptake (phytoavailability), in order to better understand both the conceptual and operational aspects of bioavailability. The related concepts of specific and non-specific adsorption, as well as complex formation and organic ligand affinity were also intensively discussed to explain the variations of heavy metal solubility and mobility in soils. Further, the most frequently used methods to measure bioavailable metal soil fractions based on both chemical extractions and mechanistic geochemical models were reviewed. For relatively highly mobile metals (Cd, Ni, and Zn), a neutral salt solution such as 0.01 M CaCl2 or 1 M NH4NO3 was recommended, whereas a strong acid or chelating solution such as 0.43 M HNO3 or 0.05 M DTPA was recommended for strongly soil-adsorbed and less mobile metals (Cu, Cr, and Pb). While methods which assessed the free metal ion activity in the pore water such as DGT and DMT or WHAM/Model VI, NICA-Donnan model, and TBLM are advantageous for providing a more direct measure of bioavailability, few of these models have to date been properly validated.

328 citations


Cites methods from "Description of Input and Examples f..."

  • ...…modelling (e.g. Brand et al. 2009; Degryse et al. 2009; Derz et al. 2012; Fedotov et al. 2012; Groenenberg et al. 2010; Lindsay and Norvell 1978; Meers et al. 2007; Meeussen 2003; Parkhurst and Appelo 2013; Peijnenburg et al. 2007; Pueyo et al. 2004; Tessier et al. 1979; Zeien and Bruemmer 1989)....

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