The SPIN Centre is continuously developing new codes to numerically simulate complex dispersed systems. To run these codes, we have access to our home cluster and national large-scale supercomputing centers.
Thermodynamics and kinetics
- Phase equilibrium : FactSage, ArXim (mineral species), GasHyDyn (gas hydrates)
- Gas-solid reaction kinetics : CIN4
Mechanics
- Fluid :
- Finite Element Method (FEM) : Comsol, Abaqus
- Finite Volume Method (FVM) : Fluent, Openfoam
- Smoothed Particles Hydrodynamics (SPH) : OpenSph
- Lattice Boltzmann Method (LBM) : Tempo
- Finite Difference (CV-FD) : ModFlow
- Particles, atoms :
- Discrete Element Method (DEM) : Liggghts, PFC3D
- Molecular Dyanmics (MD) : ReaxFF, Lammps
Process engineering
- Chemical engineering : ProII
- Raw material transformation : Usimpack
Miscellaneous
- Image analysis : Avizo, ImageJ, Matlab toolbox
- Population balance : Parsival
- Data control and acquisition : LabVIEW
- Programming : Matlab, Scilab
- Programming languages : C++, Python, …
Hardware, computational ressources
- Home-cluster : 656 cores on 28 nodes, with 2,4 To of RAM
- Large-scale computing facilities : genci, prace, … (with research proposal)