A database of dissolution and precipitation rates for clay-rocks minerals

Marty, Nicolas; Claret, Francis; Lassin, Arnault; Trémosa, Joachim; Blanc, Philippe; Madé, Benoı̂t; Giffaut, Éric; Cochepin, Benoît; Tournassat, Christophe

doi:10.1016/j.apgeochem.2014.10.012

Cited by 126 publications

(90 citation statements)

References 76 publications

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“…Kinetic parameters extracted from Marty et al [5,49] were established from flow-through experiments and the proposed reaction rates are probably overestimated. For this case, the simulations used surface areas 3 orders of magnitude lower than the values given in Table 7 (i.e., A/1000 in m 2 g −1 ).…”

Section: Full Mineralogy With Slow Reaction Rates (Case 2)mentioning

confidence: 99%

“…Apart from several reactions at local equilibrium, dissolution/precipitation reactions of primary phases were controlled as much as possible by kinetic laws. The kinetic parameters shown in Tables 7 and 8 were extracted from a literature review [5,49].…”

Section: Reaction Ratesmentioning

confidence: 99%

“…Generally, the effects that physical and chemical parameters exert on mineral weathering Kinetic data extracted from Marty et al [5,49]. Parameters describe the pH dependence and deviation from equilibrium of the dissolution rates (see Appendix B in Xu et al [57]) rates (temperature, pH, catalysis/inhibition by aqueous species, and solution saturation state) are incorporated in a general form of mineral dissolution.…”

Section: Reaction Ratesmentioning

confidence: 99%

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Benchmarks for multicomponent reactive transport across a cement/clay interface

Marty¹,

Bildstein

Blanc³

et al. 2015

Comput Geosci

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International audienceThe use of the subsurface for CO2 storage, geothermal energy generation, and nuclear waste disposal will greatly increase the interaction between clay(stone) and concrete. The development of models describing the mineralogical transformations at this interface is complicated, because contrasting geochemical conditions (Eh, pH, solution composition, etc.) induce steep concentration gradients and a high mineral reactivity. Due to the complexity of the problem, analytical solutions are not available to verify code accuracy, rendering code intercomparisons as the most efficient method for assessing code capabilities and for building confidence in the used model. A benchmark problem was established for tackling this issue. We summarize three scenarios with increasing geochemical complexity in this paper. The processes considered in the simulations are diffusion-controlled transport in saturated media under isothermal conditions, cation exchange reactions, and both local equilibrium and kinetically controlled mineral dissolution-precipitation reactions. No update of the pore diffusion coefficient as a function of porosity changes was considered. Seven international teams participated in this benchmarking exercise. The reactive transport codes used (TOUGHREACT, PHREEQC, with two different ways of handling transport, CRUNCH, HYTEC, ORCHESTRA, MIN3P-THCm) gave very similar patterns in terms of predicted solute concentrations and mineral distributions. Some differences linked to the considered activity models were observed, but they do not bias the general system evolution. The benchmarking exercise thus demonstrates that a reactive transport modelling specification for long-term performance assessment can be consistently addressed by multiple simulators

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Section: Full Mineralogy With Slow Reaction Rates (Case 2)mentioning

confidence: 99%

Section: Reaction Ratesmentioning

confidence: 99%

Section: Reaction Ratesmentioning

confidence: 99%

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Benchmarks for multicomponent reactive transport across a cement/clay interface

Marty¹,

Bildstein

Blanc³

et al. 2015

Comput Geosci

Self Cite

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“…Rate equations of precipitation/dissolution of secondary / primary phases are provided directly in the input files of PHREEQC. Kinetic parameters for C-S-H phases and ettringite have been selected from [7,8]. In the present status, sorption of the tracers in the cement matrix is not included in the model, sorption reactions of 36 Cl -and 129 I -and Be into the low pH cement matrix will be considered by a thermodynamic mechanistic sorption model to be implemented in PHREEQC.…”

Section: Fig 1: Schematic Representation Of the Diffusion Experimentsmentioning

confidence: 99%

Reactive Transport Modeling

Huber¹,

Montoya²,

Kienzler³

et al. 2018

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“…Mineral reaction rates were obtained from literature sources (Gautier et al, 2001;Gudbrandsson et al, 2014;Hersman et al, 1995;Huertas et al, 1999;Jeschke et al, 2001;Malmström et al, 2006;Marty et al, 2015;Oelkers and Schott, 1998;Oelkers et al, 2008). Additionally, the grain sizes of minerals in the backfill material, was used to calculate reactive surface areas (Gautier et al, 2001).…”

Section: Geochemical Modelmentioning

confidence: 99%

Modelling the hydrogeochemical evolution of mine water in a decommissioned opencast coal mine

Huisamen

Wolkersdorfer

2016

International Journal of Coal Geology

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Highlights• Kinetic geochemical modelling calibration method proposed-calibration against leaching test data was successful.• Transient source term transport modelling successful -calibrated against existing groundwater monitoring data.• Improved confidence in numerical transport modelling of the initial flush from opencast mines• Contaminant plume calibration in numerical models is possible using the proposed methodology. AbstractA method for the geochemical modelling of transient contaminant release from rehabilitated opencast coal mines, including calibration against existing data, is proposed. The need for such a methodology is illustrated by a directive received by a decommissioned opencast coal mine in Mpumalanga, South Africa. Groundwater monitoring data, geochemical analyses, numerical flow modelling and geochemical modelling are used to model the hydrogeochemical evolution of mine water over time. Models presented in this study are based on a conceptual model detailing groundwater levels and flow directions, hydraulic conductivities, groundwater chemistry, precipitation, evaporation, surface water bodies and potential sources. Additional to this, mineralogical analyses, leaching tests and acid-base accounting were performed to obtain a better understanding of the site geochemistry. A geochemical model was constructed which was used to obtain a statistically representative mineral assemblage based on laboratory data which was calibrated against leaching test data. This assemblage was simulated in field conditions as input to a numerical flow and transport model. The transport of sulfate was modelled accordingly and sulfate concentrations from monitoring data were used for chemical calibration. Following this, long term contaminant release was simulated. Calibration graphs from the transport model indicated concentrations within a 20 mg/L error margin, showing that the proposed methodology can be used to calculate contaminant concentrations in an aquifer over time within an acceptable range. This approach could provide an improved estimate of the duration of the first flush 2 which, upon completion, will transform decommissioned collieries into large scale reservoirs of utilisable groundwater.

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A database of dissolution and precipitation rates for clay-rocks minerals

Cited by 126 publications

References 76 publications

Benchmarks for multicomponent reactive transport across a cement/clay interface

Benchmarks for multicomponent reactive transport across a cement/clay interface

Reactive Transport Modeling

Modelling the hydrogeochemical evolution of mine water in a decommissioned opencast coal mine

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