PHREEQC (and Reaktoro) training courses

1. GAS-WATER-SOLID (THERMODYNAMIC) EQUILIBRIA CALCULATIONS
• Ion exchange reactions at water-solid interface with PHREEQC
• Water speciation with Reaktoro
2. CHEMICAL KINETICS MODELING
• Reactions involving aqueous species
• Reactions catalyzed by microbes / bacteria
• Solid dissolution-precipitation reactions
3. ONE DIMENSIONAL REACTIVE TRANSPORT MODELING (1D RTM) IN WATER-SATURATED POROUS MEDIA
• Purely advective transport (and reactions proceeding through kinetic laws)
• Advective-dispersive(-diffusive) transport (and reactions proceeding through kinetic laws)
• Purely diffusive transport (and reactions proceeding to (thermodynamic) equilibrium)

The aim of the course is to learn in the use of PHREEQC to simulate : (i) ion exchange, (ii) chemical kinetics, and (iii) reactive transport in water-saturated porous media. Also, you will learn in the use of Reaktoro to simulate aqueous solutions speciation. With the practical examples, participants will be made aware of (geo)chemical questioning in the areas of Carbon Capture and Storage (CCS), hydrometallurgy (ion exchange on resins), cementitious material carbonation, water pollution by organic carbon, ....

First, simulating ion exchange at water-solid interface to (thermodynamic) equilibrium with PHREEQC will be taught. Still dealing with equilibrium chemistry, an introduction in the use of Reaktoro consisting in simulating aqueous solutions speciation will be presented (as compared with PHREEQC). Then, we will go back to PHREEQC to simulate kinetics of homogeneous (in-water) and heterogeneous (water-solid) chemical reactions. Finally, the last part of the course will be dedicated to 1D(imension) Reactive Transport Modeling (1D RTM) in water-saturated porous media, with transport of aqueous species proceeding by advection, advection-dispersion(-diffusion), and diffusion only. The rules for writing input files (scripts) as well as the different output options offered by PHREEQC will be presented. The core of the course will be the practice through running of simulation examples involving aqueous solutions, gases (CO2, …) , and natural and synthetic (cementitious) minerals. When needed, the theory behind PHREEQC – i.e. the laws and physical-chemical concepts coded in the software – will be presented.