PHREEQC training courses
PHREEQC, standing for PH REdox EQuilibrium in C language, is a geochemical and reactive transport modeling free and open-source software, which capabilities are listed here.
PhreeqcI(nteractive) is the version of PHREEQC that is interfaced with a GUI (developed by USGS, and downloadable from the dedicated USGS webpage or from this GitHub repo) while Tony Appelo develops a version that is interfaced with the NotePad++ text editor (downloadable from his webpage). Despite the two versions are presented at the beginning of the courses, note that it is the NotePad++ version that is largely used during them.
The courses are given in English or French, according to the attendance.
If you need a (customized) course to be given in your organization, contact me.
Reactive Transport Modeling (RTM)
Content :
The course will begin by the presentation of the phreeqcI and NotePad++ user interfaces. Then, items from the equilibrium chemistry course and of the chemical kinetics course will be reminded. Then we will simulate 1D(imension) reactive transport in water-saturated media, with transport of aqueous species proceeding by advection, advection-dispersion(-diffusion), or diffusion only through the use of the ADVECTION and TRANSPORT keywords :
- Purely advective transport (and reactions' progress controlled by kinetics)
- Advective-dispersive transport (and reactions' progress controlled by kinetics)
- Purely diffusive transport (and reactions' progress controlled by thermodynamics)
The rules for writing input files (scripts) will be presented as well as the different output options offered by PHREEQC (see the equilibrium chemistry course). The core of the course will be the practice through running of simulation examples along a 1D discretized domain into n cells containing aqueous solutions and solids/minerals (see below). When needed, the theory behind PHREEQC – i.e. the laws and physical-chemical concepts implemented in – will be presented. Finally, the software ‘ecosystem’ will be presented.
Practical simulation examples :
| Example # | Example name | Simulated process | Topic |
|---|---|---|---|
| 1 | Transport modes of solutes in porous media | Transport of solutes by advection and dispersion (including mechanical/hydrodynamic dispersion and diffusion) | Mass transport processes considered in RTM |
| 2 | Geothermal water flow in tube and scaling | Transport of solutes by advection coupled with kinetic-controlled mineral precipitation | Scaling in a geothermal tube |
| 3 | Column flow-through experiment | Transport of solutes by advection and dispersion coupled with kinetic-controlled solid dissolution | Fluid flow and reaction in a porous medium |
| 4 | Cement carbonation | Transport of solutes by diffusion coupled with thermodynamic-controlled mineral dissolution-precipitation | Well cement degradation in CCS |