Research and training in geochemical and reactive transport modeling

Nicolas Jacquemet, PhD, independent researcher / consultant

Home

PHREEQC training courses

The training courses for using the PHREEQC software are given in English or French, according to the attendance.

If you need a (customized) course to be given in your organization, contact me.

Chemical kinetics and reactive transport with PHREEQC - 'PHREEQC advanced'

Outline :

  1. GAS-WATER-SOLID (THERMODYNAMIC) EQUILIBRIA CALCULATIONS
    • Reminders
  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)

Objective & content :

The aim of the course is to learn in the use of PHREEQC to simulate : chemical kinetics and reactive transport in water-saturated porous media. With the practical examples, participants will be made aware of (geo)chemical questioning in the areas of Carbon Capture (Utilization) and Storage (CC(U)S), cementitious material carbonation, water pollution by organic carbon, and geothermal.

First, simulating (thermodynamic) equilibrium of gas-water-solid systems will be remind. Then, we will 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.