TReacLab: An object-oriented implementation of non-intrusive splitting methods to couple independent transport and geochemical software

Daniel Jara 1 Jean-Raynald De Dreuzy 1 Benoit Cochepin 2
1 GR - Géosciences Rennes
2 ANDRA - Agence Nationale pour la Gestion des Déchets Radioactifs
Abstract : Reactive transport modeling contributes to understand geophysical and geochemical processes in subsurface environments. Operator splitting methods have been proposed as non-intrusive coupling techniques that optimize the use of existing chemistry and transport codes. In this spirit, we propose a coupler relying on external geochemical and transport codes with appropriate operator segmentation that enables possible developments of additional splitting methods. We provide an object-oriented implementation in TReacLab developed in the MATLAB environment in a free open source frame with an accessible repository. TReacLab contains classical coupling methods, template interfaces and calling functions for two classical transport and reactive software (PHREEQC and COMSOL). It is tested on four classical benchmarks with homogeneous and heterogeneous reactions at equilibrium or kinetically-controlled. We show that full decoupling to the implementation level has a cost in terms of accuracy compared to more integrated and optimized codes. Use of non-intrusive implementations like TReacLab are still justified for coupling independent transport and chemical software at a minimal development effort but should be systematically and carefully assessed.
Keywords : Porous media Reactive transport Operator splitting Object-oriented programming
Type de document :
Article dans une revue
Computers & Geosciences, Elsevier, 2017, 109, pp.281-294. 〈10.1016/j.cageo.2017.09.005〉
Liste complète des métadonnées

Littérature citée [107 références]  Voir  Masquer  Télécharger
https://hal-insu.archives-ouvertes.fr/insu-01588325
Contributeur : Isabelle Dubigeon <>
Soumis le : vendredi 15 septembre 2017 - 14:52:12
Dernière modification le : lundi 26 mars 2018 - 14:43:43
Document(s) archivé(s) le : samedi 16 décembre 2017 - 13:57:12

Fichier

jara-2017.pdf
Fichiers produits par l'(les) auteur(s)

Identifiants

Collections

INSU | GR | GR-DIMENV | OSUR | UNIV-RENNES

Citation

Daniel Jara, Jean-Raynald De Dreuzy, Benoit Cochepin. TReacLab: An object-oriented implementation of non-intrusive splitting methods to couple independent transport and geochemical software. Computers & Geosciences, Elsevier, 2017, 109, pp.281-294. 〈10.1016/j.cageo.2017.09.005〉. 〈insu-01588325〉

Exporter

BibTeX TEI DC DCterms EndNote

Partager

Métriques

Consultations de la notice

76

Téléchargements de fichiers

2

Contact

support.ccsd.cnrs.fr
hal.support@ccsd.cnrs.fr
Logo CCSD