Module-oriented modeling of reactive transport with HYTEC

Lee, Jan van der; Windt, Laurent de; Lagneau, Vincent; Goblet, Patrick

doi:10.1016/s0098-3004(03)00004-9

Cited by 251 publications

(130 citation statements)

References 23 publications

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“…Coupling of transport and chemistry in HYTEC is based on the sequential iterative approach [20,19]. Using the basis component formalism to describe the chemical system, the transport equation can be written as follow:…”

Section: Methodsmentioning

confidence: 99%

“…It therefore couples hydrodynamic flow and multi-component transport with biogeochemical processes [19]. HYTEC is developed within the framework of the Reactive Transport Consortium 2 , a research group which includes industrial and academic partners.…”

Section: The Reactive Transport Code Hytecmentioning

confidence: 99%

“…Finally, code intercomparison can help validate the codes, provided that the specifications of the exercises are weel defined [7,4]. In this paper, we detail the solutions obtained by the HYTEC code [19], developed at Mines ParisTech, on a suite of benchmark exercises.…”

Section: Introductionmentioning

confidence: 99%

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HYTEC results of the MoMas reactive transport benchmark

Lagneau

Lee²

2009

Comput Geosci

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A specific benchmark has been developed by the french research group MoMas in order to improve numerical solution methods applied by reactive transport models, i.e. codes which couple hydrodynamic flow and mass transport in porous media with geochemical reactions. The HYTEC model has been applied to this benchmark exercise and this paper summarizes some of the principal results. HYTEC is a general-purpose code, applied by industrials and research groups to a wide variety of domains, including soil pollution, nuclear waste storage, cement degradation, water purification systems, storage of CO 2 and valorization of stabilized wastes. The code has been applied to the benchmark test-cases without any specific modification. Apart from the benchmark imposed output, additional information is provided to highlight the behavior of HYTEC specifically and the simulation results in particular.

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Section: Methodsmentioning

confidence: 99%

Section: The Reactive Transport Code Hytecmentioning

confidence: 99%

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HYTEC results of the MoMas reactive transport benchmark

Lagneau

Lee²

2009

Comput Geosci

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“…In a first step, the geochemical code CHESS [30] was used to simulate the temperature effect on the initial pore water chemistry and solid phases of the hydrated cement paste during a temperature increase from 20°C to 70°C. Acid/base and ion complexation reactions in solution, as well as dissolution/precipitation of the cement hydrates, were calculated at thermodynamic equilibrium.…”

Section: Thermodynamic Equilibrium Calculationsmentioning

confidence: 99%

Impact of a 70 °C temperature on an ordinary Portland cement paste/claystone interface: An in situ experiment

Lalan

Dauzères

Windt

et al. 2016

Cement and Concrete Research

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“…The geochemical code CHESS/HYTEC [24] takes account of all the chemical reactions in an aqueous solution. In the present case, the relevant reactions were mainly i) acid/base reactions and ion complexation in solution and ii) dissolution and precipitation of solid phases.…”

Section: Thermodynamic Equilibrium Calculationsmentioning

confidence: 99%

Interactions between hydrated cement paste and organic acids: Thermodynamic data and speciation modeling

Windt

Bertron

Larreur-Cayol

et al. 2015

Cement and Concrete Research

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Abstract.Interactions of short-chain organic acids with hydrated cement phases affect structure durability in the agro-food and nuclear waste industries but can also be used to modify cement properties. Most previous studies have been experimental, performed at fixed concentrations and pH, without quantitatively discriminating among polyacidity effects, or complexation and salt precipitation processes. This paper addresses such issues by thermodynamic equilibrium calculations for acetic, citric, oxalic, succinic acids and a simplified hydrated CEM-I. The thermodynamic constants collected from the literature allow the speciation to be modelled over a wide range of pH and concentrations. Citric and oxalic had a stronger chelating effect than acetic acid, while succinic acid was intermediate. Similarly, Ca-citrate and Ca-oxalate salts were more insoluble than Ca-acetate and Ca-succinate salts. Regarding aluminium complexation, hydroxyls, sulphates, and acid competition was highlighted. The exploration of acid mixtures showed the preponderant effect of oxalate and citrate over acetate and succinate.

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Module-oriented modeling of reactive transport with HYTEC

Cited by 251 publications

References 23 publications

HYTEC results of the MoMas reactive transport benchmark

HYTEC results of the MoMas reactive transport benchmark

Impact of a 70 °C temperature on an ordinary Portland cement paste/claystone interface: An in situ experiment

Interactions between hydrated cement paste and organic acids: Thermodynamic data and speciation modeling

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