iPP
iPP is a coupling code interfacing two standalone software: Palabos and PhreeqcRM. The main goal of this development is the simulation of reactive transport processes in porous media at the pore-scale. Palabos (www.palabos.org) is an open source three dimensional (3D) CFD solver based on the lattice Boltzmann method. PhreeqcRM is an open source geochemical reaction module based on PhreeqC specifically designed for reactive transport simulators that use an operator-splitting approach.
Description
Capabilities
This modelling tool is aimed for reactive transport phenomena and is especially designed for solving problems at the pore-scale. By combining the Lattice-Boltzmann framework Palabos as transport code and the geochemical capabilities of PhreeqcRM, a wide variety of pore-scale problems can be analyzed with this tool. Hydrodynamic effects due to changing pore-geometry are captured implicitly.
These features and capabilities can be resumed as:
- Hydrodynamics: advective-Diffusive transport properties (e.g. permeability and diffusivity) in porous and fractured media
- Chemistry: aqueous speciation, acid-base, pH, redox potential, mineral dissolution and precipitation, solid solutions, etc.
- Hydrodynamics properties affected by porosity changes (i.e. due to dissolution and precipitation of solid phases) captured via geometry update
- Flexible and modifiable definition of simulation conditions: initial and boundary conditions, geometrical input, chemical species concentration gradients, etc.
- General and extensible capture of surface effects on solid phase precipitation potential
- Implemented with C++ template meta-programming techniques and MPI capabilities allowing scalability on high performance cluster computing facilities
iPP is developed at IEK-6 of Forschungszentrum Jülich (Germany) in collaboration with Amphos 21.
The research leading to these developments has received funding from the EU EURATOM Horizon 2020 programme (NFRP-2014/2015) under grant agreement 662147 – Cebama.
