A5044421671- Groundwater flow and contamination studies
- Radioactive element chemistry and processing
- CO2 Sequestration and Geologic Interactions
- Nuclear reactor physics and engineering
- Soil and Unsaturated Flow
- Hydraulic Fracturing and Reservoir Analysis
- Advanced Thermodynamics and Statistical Mechanics
- Gene Regulatory Network Analysis
- Environmental Toxicology and Ecotoxicology
- Advanced Numerical Methods in Computational Mathematics
- Mine drainage and remediation techniques
- thermodynamics and calorimetric analyses
- Marine Biology and Environmental Chemistry
- Numerical methods in inverse problems
- Landfill Environmental Impact Studies
- Numerical methods for differential equations
- Enhanced Oil Recovery Techniques
- Computational Drug Discovery Methods
- Matrix Theory and Algorithms
- Dam Engineering and Safety
- Chemical and Physical Properties in Aqueous Solutions
- Orthopaedic implants and arthroplasty
- Nuclear Materials and Properties
- Analytical Chemistry and Chromatography
- Phase Equilibria and Thermodynamics
Université de Strasbourg
2009-2023
Ecole Nationale du Génie de l'Eau et de l'Environnement de Strasbourg (ENGEES)
2021-2023
Centre National de la Recherche Scientifique
2002-2023
Institut Terre & Environnement de Strasbourg
2021
Laboratoire d’HYdrologie et de GEochimie
2009-2016
École & Observatoire des Sciences de la Terre
2009
Institut de Mécanique des Fluides de Toulouse
2006-2009
Univerzitná Nemocnica Louisa Pasteura
2008
Abstract Modeling thermodynamic equilibrium of complex nonlinear chemical systems with the most used Newton‐Raphson method can lead to nonconvergence. From mathematical properties set equations, a chemically permitted interval is defined. By imposing this interval, robustness increased at low computing time cost. The new method, positive continuous fraction, does not depend on first derivative objective function find solution. A algorithm thus built by association very robust fast and...
In numerical codes for reactive transport modeling, systems of nonlinear chemical equations are often solved through the Newton Raphson method (NR). NR is an iterative procedure that results in a sequential solution linear systems. The algorithm known its effectiveness vicinity but also lack robustness otherwise. Therefore, inaccurate initial conditions can lead to non‐convergence or excessive numbers iterations, which significantly increase computational cost. this work, we show very...
In multispecies electrolyte solutions, each individual species can migrate according to its specific ionic properties. This process is called electrochemical migration or electro-diffusion and well-described by the Nernst–Planck equation. The common approach for solving corresponding mathematical system based on null current (NC) assumption, which expresses electric potential in terms of charges concentrations chemical components. assumption has a great advantage as it eliminates from...
Abstract The chemical parameters used in reactive transport models are not known accurately due to the complexity and heterogeneous conditions of a real domain. development an efficient algorithm order estimate using Monte‐Carlo method is presented. By fitting results obtained from model with experimental curves various conditions, problem estimation converted into minimization problem. methods very robust for optimization highly nonlinear mathematical describing transport. It involves...
Abstract This article concerns reactive transport in porous media with an emphasis on the optimization of chemical parameters. The Cadmium (Cd) and tributyltin (TBT) column experiments were used as test cases. model is described by a set reactions equilibrium constants main adjustable As such problem highly nonlinear can have multiple minima, global parameter estimation methods are more suitable than local gradient‐based methods. focuses application genetic algorithm (GA) estimating...
Abstract Reactive transport softwares are today one of the cornerstones environmental research. They contain multiphysics with very complex algorithms, including flow, transport, chemical, and sometimes heat mechanical, and/or biological algorithms. Because this complexity, some parts these algorithms still have not been sufficiently studied. In work, we focus on for activity correction, a specific subset equilibrium chemistry We show that most used algorithm (the inner fixed‐point...
Reactive transport codes are very useful elements of environmental research. They now contain multiphysics with complex algorithms, including flow, transport, chemical and sometimes heat mechanical and/or biological algorithms. Because this complexity, some parts these algorithms still have not been sufficiently studied. Here, we present a comparison 3 for activity correction, specific subset equilibrium chemistry We show that the most used algorithm (the inner fixed-point algorithm) or...
Reactive transport codes are today one of the cornerstones environmental research. They now contain multiphysics with very complex algorithms, including flow, transport, chemical and sometimes heat mechanical and/or biological algorithms. Because this complexity, some parts these algorithms still have not been sufficiently studied. Here, we present a comparison 3 for activity correction, specific subset equilibrium chemistry We show that most used algorithm (the inner fixed-point algorithm)...