Operator-splitting procedures for reactive transport and comparison of mass balance errors

Carrayrou, Jérôme; Mosé, Robert; Behra, Philippe

doi:10.1016/s0169-7722(03)00141-4

Cited by 119 publications

(93 citation statements)

References 21 publications

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“…However, both SIA and SNIA, with less coupling, present their own challenges regarding accuracy and performance (Valocchi and Malmstead, 1992;Barry et al, 1996;Kanney et al, 2003a,b;Carrayrou et al, 2004). SNIA is known to introduce operator-splitting error in the solution, and SIA may result in prohibitive iteration counts when geochemical species are tightly coupled to the immobile phase (e.g., strong sorption, mineral precipitation-dissolution with fast reaction kinetics).…”

Section: Subsurface Sciencementioning

confidence: 99%

Multiphysics simulations: challenges and opportunities.

Keyes¹,

McInnes²,

Woodward³

et al. 2012

149

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We consider multiphysics applications from algorithmic and architectural perspectives, where "algorithmic" includes both mathematical analysis and computational complexity and "architectural" includes both software and hardware environments. Many diverse multiphysics applications can be reduced, en route to their computational simulation, to a common algebraic coupling paradigm. Mathematical analysis of multiphysics coupling in this form is not always practical for realistic applications, but model problems representative of applications discussed herein can provide insight. A variety of software frameworks for multiphysics applications have been constructed and refined within disciplinary communities and executed on leading-edge computer systems. We examine several of these, expose some commonalities among them, and attempt to extrapolate best practices to future systems. From our study, we summarize challenges and forecast opportunities.

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Section: Subsurface Sciencementioning

confidence: 99%

Multiphysics simulations: challenges and opportunities.

Keyes¹,

McInnes²,

Woodward³

et al. 2012

149

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show abstract

“…Upscaling of geochemical parameters, such as distribution coefficients, kinetic constants, etc, is an almost virgin issue, see e.g. some preliminary work by Pelletier (1997), Glassley et al (2002) or discussion in Delay and Porel (2003), Carrayrou et al (2004).…”

Section: Upscalingmentioning

confidence: 99%

Dealing with spatial heterogeneity

et al. 2005

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Heterogeneity can be dealt with by defining homogeneous equivalent properties, known as averaging, or by trying to describe the spatial variability of the rock properties from geologic observations and local measurements. The techniques available for these descriptions are mostly continuous Geostatistical models, or discontinuous facies models such as the Boolean, Indicator or Gaussian-Threshold models and the Markov chain model. These facies models are better suited to treating issues of rock strata connectivity, e.g. buried high permeability channels or low permeability barriers, which greatly affect flow and, above all, transport in aquifers. Genetic models provide new ways to incorporate more geology into the facies description, an approach that has been well developed in the oil industry, but not enough in hydrogeology. The conclusion is that future work should be focused on improving the facies models, comparing them, and designing new in situ testing procedures (including geophysics) that would help identify the facies geometry and properties. A world-wide catalog of aquifer facies geometry and properties, which could combine site genesis and description with methods used to assess the system, would be of great value for practical applications.RØsumØ On peut aborder le problme de l'hØtØrogØnØitØ en s'efforçant de dØfinir une permØabilitØ Øquivalente homogne, par prise de moyenne, ou au contraire en dØ-crivant la variation dans l'espace des propriØtØs des roches à partir des observations gØologiques et des mesures locales. Les techniques disponibles pour une telle description sont soit continues, comme l'approche GØosta-tistique, soit discontinues, comme les modles de facis, BoolØens, ou bien par Indicatrices ou Gaussiennes SeuillØes, ou enfin Markoviens. Ces modles de facis sont mieux capables de prendre en compte la connectivitØ des strates gØologiques, telles que les chenaux enfouis à forte permØabilitØ, ou au contraire les facis fins de barrires de permØabilitØ, qui ont une influence importante sur les Øcoulement, et, plus encore, sur le transport. Les modles gØnØtiques rØcemment apparus ont la capacitØ de mieux incorporer dans les modles de facis les observations gØologiques, chose courante dans l'industrie pØ-trolire, mais insuffisamment dØveloppØe en hydrogØo-logie. On conclut que les travaux de recherche ultØrieurs devraient s'attacher à dØvelopper les modles de facis, à les comparer entre eux, et à mettre au point de nouvelles mØthodes d'essais in situ, comprenant les mØthodes gØo-physiques, capables de reconnaître la gØomØtrie et les propriØtØs des facis. La constitution d'un catalogue mondial de la gØomØtrie et des propriØtØs des facis aquifres, ainsi que des mØthodes de reconnaissance utilisØes pour arriver à la dØtermination de ces systmes, serait d'une grande importance pratique pour les applications.Resumen La heterogeneidad se puede manejar por medio de la definición de características homogØneas equivalentes, conocidas como promediar o tratando de describir la variabilidad espacia...

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“…LaBolle et al (2003) showed that an explicit connection between surface water and groundwater (with a monthly time step) can result in unstable solutions. Likewise, in reactive transport modelling it was concluded that an iterative coupling procedure is considered to be essential for accurate calculations for nonlinear systems (Yeh & Tripathi, 1991;Simunek & Suarez, 1994;Steefel & MacQuarrie, 1996;Van der Lee & De Windt, 2001;Carrayrou et al, 2004;Jacques et al, 2006).…”

Section: Conclusion and Discussionmentioning

confidence: 99%

Comparison of implicit and explicit connection of fast- and slow-flowing components of a water system

Vergroesen

Giesen

Ven

2010

Hydrological Sciences Journal

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. (2010) Comparison of implicit and explicit connection of fastand slow-flowing components of a water system. Hydrol Sci. J. 55(3), 287-302.Abstract Two ways of connecting numerical hydrological models that have significantly differently sized calculation time steps are compared. A model for rainfall-runoff and surface water flow (SOBEK) is connected to a model for groundwater flow (TRIWACO). Data exchange between the two models takes place at the end of each larger time step. In the "explicit" connection, both models calculate every time step only once, after which the algorithm moves to the next time step. In the "implicit" connection, the same time step is recalculated with the exchanged data until the resulting exchanged values converge. Due to the iteration, implicit connections require more calculation time, which can only be justified if it leads to significant improvements of model predictions. By simulating the hydrological situation of the Huewelerbach basin in Luxembourg, this work shows that implicit and explicit connections can indeed lead to significantly different calculation results.Key words hydrological models; implicit connection; groundwater; surface water; rainfall-runoff Comparaison de connexions implicite et explicite entre les composantes d'écoulement rapide et lente d'un système hydrologiqueRésumé Cet article compare deux méthodes de connexion entre des modèles numériques hydrologiques ayant des pas de calculs significativement différents. Un modèle de transformation pluie-débit et d'écoulement de surface (SOBEK) est connecté à un modèle d'écoulement des eaux souterraines (TRIWACO). L'échange de données entre les deux modèles a lieu à la fin de chaque grand pas de temps. Dans le cas d'une connexion "explicite", les deux modèles ne calculent chaque pas de temps qu'une seule fois, avant que l'algorithme ne passe au pas de temps suivant. Dans le cas d'une connexion "implicite", le même pas de temps est recalculé avec les données échangées jusqu'à ce que les valeurs résultantes échangées convergent. A cause de l'itération, les connexions implicites nécessitent plus de temps de calcul, ce qui n'est justifiable que si cela permet une amélioration significative des prévisions du modèle. En simulant la situation hydrologique du bassin de Huewelerbach au Luxembourg, cette étude montre que les connexions implicite et explicite peuvent en effet conduire à des résultats de calcul très différents.

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Operator-splitting procedures for reactive transport and comparison of mass balance errors

Cited by 119 publications

References 21 publications

Multiphysics simulations: challenges and opportunities.

Multiphysics simulations: challenges and opportunities.

Dealing with spatial heterogeneity

Comparison of implicit and explicit connection of fast- and slow-flowing components of a water system

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