Short Courses


Modelling and prediction of speciation in solution and at solid/solution interfaces


May 15th-18th 2017 at Chimie ParisTech Engineer School - Paris (France)



The various modules are intended to introduce the use of scientific software for modelling the speciation of elements in solution or adsorbed to a mineral surface. The course consists of three parts:
(1) a 1-day introduction to the use of the PHREEQC software to simulate speciation of ions and solids,
(2) a 1-day introduction to reactive transport with PHREEQC,

(3) a 2-day lecture on the different surface complexation models and their limitations with examples in PHREEQC.

Lectures are given in a computer room to allow parallel hands-on practical sessions with PHREEQC.


Day 1: Introduction to PHREEQC

Thermodynamic data and databases. Use of PHREEQC: input and output files, equilibria in solution, precipitation/dissolution, ion exchange.


Day 2: Introduction to reactive transport

 Transport equations and critical parameters. Coupling between reaction and transport. Modelling in PHREEQC and examples.


Day 3: Introduction to surface complexation

Basics of surface charge/potential, reactive surface groups in 2-pK model, electrostatic double layer, zeta potential, DLVO theory.


Day 4: Advanced courses on surface complexation

Approaches to inverse modelling of solid/solution systems. Multisite Complexation (MUSIC) Model.


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Grégory Lefèvre (Cette adresse e-mail est protégée contre les robots spammeurs. Vous devez activer le JavaScript pour la visualiser.) - Tél. : (33) (0)