TReacLab: An object-oriented implementation of non-intrusive splitting methods to couple independent transport and geochemical software
| Autor: | Benoit Cochepin, Jean-Raynald de Dreuzy, Daniel Jara |
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| Přispěvatelé: | Géosciences Rennes (GR), Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire des Sciences de l'Univers de Rennes (OSUR)-Centre National de la Recherche Scientifique (CNRS), Agence Nationale pour la Gestion des Déchets Radioactifs (ANDRA), Agence Nationale pour la Gestion des Déchets Radioactifs, ANR-12-MONU0012-01, ANR project, Centre National de la Recherche Scientifique (CNRS)-Observatoire des Sciences de l'Univers de Rennes (OSUR)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES), Université de Rennes (UR)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire des Sciences de l'Univers de Rennes (OSUR), Université de Rennes (UR)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Rennes 2 (UR2)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Rennes 2 (UR2)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Centre National de la Recherche Scientifique (CNRS), ANR-12-MONU-0012,H2MNO4,Hydrogéologie Hétérogène avec un Modèle Numérique Original, Optimisé et Orienté Objets(2012) |
| Rok vydání: | 2017 |
| Předmět: |
Theoretical computer science
0208 environmental biotechnology Porous media Reactive transport [SDU.STU]Sciences of the Universe [physics]/Earth Sciences 010103 numerical & computational mathematics 02 engineering and technology 01 natural sciences Computational science Operator (computer programming) Software Operator splitting 0101 mathematics Computers in Earth Sciences MATLAB Implementation computer.programming_language Object-oriented programming business.industry Frame (networking) Decoupling (cosmology) 020801 environmental engineering Coupling (computer programming) business computer Information Systems |
| Zdroj: | Computers & Geosciences Computers & Geosciences, Elsevier, 2017, 109, pp.281-294. ⟨10.1016/j.cageo.2017.09.005⟩ Computers & Geosciences, 2017, 109, pp.281-294. ⟨10.1016/j.cageo.2017.09.005⟩ |
| ISSN: | 0098-3004 1873-7803 |
| Popis: | International audience; 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. |
| Databáze: | OpenAIRE |
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