• Curso: Geochemical Modelling with PHREEQC • Profesor Visitante

PROGRAMA OFICIAL DE DOCTORADO EN
GEOLOGÍA E INGENIERÍA GEOLÓGICA
 Curso: Geochemical Modelling with PHREEQC
 Profesor Visitante: Dr. Mário Gonçalves (Faculdade de Ciências da
Universidade de Lisboa, Portugal)
 Fechas: 07-10 de Mayo de 2012
 Lugar: Aula de Informática
 Resumen:
This course will focus on both basic and advanced topics while using
PHREEQC to perform geochemical models. It will address the basic principles of
chemical reactions starting with speciation calculations and moving to chemical
kinetics, ideal solid solutions, and reactive transport. The objective is to provide
attendees with a fairly good overview of the program capabilities, being able to
implement the most common geochemical problems, and have a grasp of the more
advanced techniques to pursue them on their own and if they will need them in
professional life.
 Contenidos:
1. Modeling chemical reactions with PHREEQC
Speciation and saturation index. Dissolution and precipitation of minerals. The common
ion effect. Titration of solutions. Surfaces and adsorption. Examples from environmentally
relevant systems: carbonate system; acid drainage. The effect of temperature. Displaying
the output information for custom graphic construction using the Excel spreadsheet:
introducing the BASIC interpreter.
2. Chemical kinetics
Kinetics of mineral dissolution. The dissolution rate laws of the main silicate and carbonate
minerals. Editing and changing kinetic rate laws. Programming custom rate laws.
3. Solid solutions
Ideal and non-ideal solid solutions. Chemical equilibrium of aqueous solutions with solid
solutions. Constructing Lippmann diagrams for ideal solid solutions with PHREEQC.
4. 1D transport phenomena
The structure of the advection and transport keywords in PHREEQC. Modelling coupled
mass transport models: pure advection and advection-dispersion. Examples applied to
aquifer chemistry, salt intrusions, and bench top reaction experiments.
This course will focus on both basic and advanced topics while using PHREEQC to perform
geochemical models. It will address the basic principles of chemical reactions starting with
speciation calculations and moving to chemical kinetics, ideal solid solutions, and reactive
transport. The objective is to provide attendees with a fairly good overview of the program
capabilities, being able to implement the most common geochemical problems, and have a
grasp of the more advanced techniques to pursue them on their own and if they will need
them in professional life.
 Inscripción:
José Manuel Astilleros García-Monge
Dpto. Cristalografía y Mineralogía – Facultad CC Geológicas
e-mail: [email protected]
Tfno.: 91 3944881