Chapter 2. APPROACHES TO MODELING OF REACTIVE TRANSPORT IN POROUS MEDIA

Steefel, Carl I.; MacQuarrie, Kerry T.B.

doi:10.1515/9781501509797-005

Cited by 222 publications

(237 citation statements)

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“…Advective and dispersive case results are given for the optimal time step case and 10 −3 for the dispersive one. As reported by several authors [15,22,28], the main computing effort is devoted to the chemistry calculation, around 92% for the advective case and 82% for the dispersive one.…”

Section: Computing Timementioning

confidence: 89%

“…Since the review article of Yeh and Tripathi [28], three ways are well known for reactive transport modelling: the global approach where both transport and chemical operators are solved simultaneously [9,10,22,24]; the iterative operator splitting approach where both operators are solved separately but coupled by Picard-like iterations [5,6,14,18,26]; and the non-iterative operator splitting approach where transport and chemistry operators are separately solved only one time per time step [1,2,27]. In this work, we present the non-iterative operator splitting approach.…”

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confidence: 99%

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Looking for some reference solutions for the reactive transport benchmark of MoMaS with SPECY

Carrayrou

2009

Comput Geosci

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International audienceNumerical benchmark can be an efficient way to validate reactive transport codes. The reactive transport benchmark of GNR MoMaS is here presented and solved on its easy 1D version. The reactive transport code SPECY is presented with a brief description of its main numerical methods: discontinuous finite elements for solving advection, mixed hybrid finite elements for solving dispersion and Newton–Raphson method to linearise the equilibrium chemistry and respect of the chemically allowed interval and positive continuous fractions methods to increase the robustness of the chemistry resolution. By successive mesh and time step refinement, we use the reactive transport code SPECY to look for a reference solution to this problem

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Section: Computing Timementioning

confidence: 89%

mentioning

confidence: 99%

Looking for some reference solutions for the reactive transport benchmark of MoMaS with SPECY

Carrayrou

2009

Comput Geosci

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“…The sequential approaches [3,20,26,28,30,32] separately solve the equations while global approaches [13,23,26,27] simultaneously solve the whole system. Whereas the first approach involves the consecutive solutions of decoupled systems and allows the use of methods adapted to each model, it requires, in general, very small time steps.…”

Section: Introductionmentioning

confidence: 99%

A global approach to reactive transport: application to the MoMas benchmark

Dieuleveult

Erhel

2009

Comput Geosci

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International audienceWater resource management involves numerical simulations in order to study contamination of groundwater by chemical species. Not only do the aqueous components move due to physical advection and dispersion processes, but they also react together and with fixed components. Therefore the mass balance couples transport and chemistry, and reactive transport models are PDEs coupled with nonlinear algebraic equations. In this paper, we present a global method based on the method of lines and DAE solvers. At each time step, nonlinear systems are solved by a Newton- LU method. We use this method to carry out numerical simulations for the reactive transport benchmark proposed by the MoMas research group. Although we study only 1D computations with a specific geochemical system, several difficulties arise. Numerical experiments show that our method can solve quite difficult problems, get accurate results and capture sharp fronts

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“…For solutes, this is accomplished using sequential non-iterative operator splitting (Steefel and MacQuarrie 1996). In this approach, concentrations of all species are first calculated subject to advective and dispersive transport only.…”

Section: Methodsmentioning

confidence: 99%

Field measurements and modeling of groundwater flow and biogeochemistry at Moses Hammock, a backbarrier island on the Georgia coast

et al. 2010

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A combination of field measurements, laboratory experiments and model simulations were used to characterize the groundwater biogeochemical dynamics along a shallow monitoring well transect on a coastal hammock. A switch in the redox status of the dissolved inorganic nitrogen (DIN) pool in the well at the upland/saltmarsh interface occurred over the spring-neap tidal transition: the DIN pool was dominated by nitrate during spring tide and by ammonium during neap tide. A density-dependent reaction-transport model was used to investigate the relative importance of individual processes to the observed N redox-switch. The observed N redox-switch was evaluated with regard to the roles of nitrification, denitrification, dissimilatory nitrate reduction to ammonium (DNRA), ammonium adsorption, and variations in inflowing water geochemistry between spring and neap tides. Transport was driven by measured pressure heads and process parameterizations were derived from field observations, targeted laboratory experiments, and the literature. Modeling results suggest that the variation in inflow water chemistry was the dominant driver of DIN dynamics and highlight the importance of spring-neap tide variations in the high marsh, which influences groundwater biogeochemistry at the marsh-upland transition.

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Chapter 2. APPROACHES TO MODELING OF REACTIVE TRANSPORT IN POROUS MEDIA

Cited by 222 publications

References 0 publications

Looking for some reference solutions for the reactive transport benchmark of MoMaS with SPECY

Looking for some reference solutions for the reactive transport benchmark of MoMaS with SPECY

A global approach to reactive transport: application to the MoMas benchmark

Field measurements and modeling of groundwater flow and biogeochemistry at Moses Hammock, a backbarrier island on the Georgia coast

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