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 in your organization, contact me.
Next session :
Title : Use of PHREEQC to simulate kinetics of chemical reactions, 1D reactive transport, and ion exchange at water-solid interface
When : 24, 25 and 26 June 2025 (three full days)
How and where : In-person, in (the beautiful town of) Paris
Outline :
(1) PRESENTATION OF THE PHREEQC (GRAPHICAL) USER INTERFACES, AND OF THE PHREEQC ‘ECOSYSTEM’
(2) GAS-WATER-SOLID (THERMODYNAMIC) EQUILIBRIA CALCULATIONS
Ion exchange reactions at water-solid interface
(3) CHEMICAL REACTIONS KINETICS MODELING
Reactions involving aqueous species
Reactions catalyzed by microbes / bacteria
Solid dissolution-precipitation reactions
(4) 1D REACTIVE TRANSPORT MODELING (1D RTM) IN WATER-SATURATED POROUS MEDIA
Purely advective transport
Advective-dispersive(-diffusive) transport
Purely diffusive transport
Objective & content :
The aim of the course is to learn in the use of PHREEQC to simulate : (i) ion exchange (to (thermodynamic) equilibrium) at water-solid interface, (ii) chemical reaction kinetics, and (iii) 1D 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 and Storage (CCS), hydrometallurgy (ion exchange on resins), cementitious material carbonation, water pollution by organic carbon, ….
The course will begin by the presentation of the two available PHREEQC (graphical) user interfaces ((G)UI), and of the software ‘ecosystem’. Then, simulating ion exchange to (thermodynamic) equilibrium and kinetics of homogeneous and heterogeneous reactions will be taught. Finally, the last part of the course will be dedicated to 1D(imension) Reactive Transport Modeling (1D RTM), 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.
Price :
1 500 € excl. tax (+ 20 % VAT)
(Includes lunches, coffee/tea and snacks)
What you will learn if you attend to future sessions :
- Database
- Structure, syntax and conventions
- Aqueous activity models : Debye-Hückel’s derived (B-dot), for dilute aqueous solutions
- Gaseous activity (fugacity) & PVTx model : Peng Robinson Equation of State (PR EoS)
- Thermochemical data : equilibrium constants of reactions (K) dependency to temperature
- Aqueous activity models : ion-association ones (SIT & Pitzer), for concentrated aqueous solutions
- Gas-water-solid (thermodynamic) equilibria calculations
- Water speciation
- Acid-base (pH), redox (pe/Eh) and complexation
- Saturation indices with respect to solids and gas fugacities/partial pressures
- Water-solid equilibria
- Water-gas equilibria
- Ideal versus real gases (ideal gas law versus PR EoS)
- “Explicit” or “implicit” gas phase
- Water-solid-gas equilibria
- Addition/removing of a component to a system
- Concentration versus pH (Sillen or Bjerrum) diagram creating
- Waters mixing
- Water speciation
