FAE3009 Geochemical Modelling with Visual MINTEQ 5.0 credits
Information for research students about course offerings
2017 Schedule (preliminary, rooms to be announced later):
Monday 19 June
9.15-10 Introduction
10-12 Speciation in water; inorganic complexes, redox, thermodynamic databases
12-13 Lunch
13-16 Exercise: Overview of Visual MINTEQ. Modelling speciation (inorganic complexes, redox), managing thermodynamic databases
Tuesday 20 June
9.15-12 Models for organic complexation. Principles (NICA-Donnan, SHM). Biotic ligand model (BLM).
12-13 Lunch
13-16 Exercise: Speciation modelling that accounts for organic complexation in solution and in the solid phase. Simulation of ecotoxicity with the BLM.
Wednesday 21 June
9.15-12 Surface complexation models. Thermodynamic principles, interface models, examples of applications. Multisurface models, combination of speciation and binding to two or more solid surfaces.
12-13 Lunch
13-16 Exercise: Simulation of the binding of metals and anions to (hydr)oxides.
Thursday 22 June
9.15-11.30 Exercise: Multisurface models.
11.30-12.00 Final words.
Content and learning outcomes
Course contents
Introduction to chemical equilibrium software, thermodynamic databases, simulation of element speciation in waters (inorganic complexes, redox species), precipitation and dissolution of mineral phases at equilibrium, models for organic complexation (SHM, NICA-Donnan) and their use for simulation of metal complexation to organic matter in solution and in the solid phase, surface complexation models (DLM, CD-MUSIC) for simulation of ion binding onto (hydr)oxide surfaces (in particular ferrihydrite and goethite), definition and use of multisurface geochemical models for simulation of metal chemistry in soils.
Intended learning outcomes
After the course, the PhD student should know the principles of what can be done (and also what cannot be done) with geochemical software such as Visual MINTEQ. Moreover, PhD students should acquire experience in solution strategies for solving equilibrium problems in soil and water chemistry.
Literature and preparations
Specific prerequisites
At least 5 ECTS credits in soil chemistry, water chemistry, or equivalent.
Recommended prerequisites
Equipment
Literature
Book chapters, scientific papers on models and on the use of the models. Exercise compendium with problems that are solved during the course.
Examination and completion
If the course is discontinued, students may request to be examined during the following two academic years.
Grading scale
Examination
- INL1 - Homework, 5.0 credits, grading scale: P, F
Based on recommendation from KTH’s coordinator for disabilities, the examiner will decide how to adapt an examination for students with documented disability.
The examiner may apply another examination format when re-examining individual students.
Other requirements for final grade
Active participation and correctly solved problems (3.0 credits), individual project in which Visual MINTEQ is used in own research (2.0 credits).
Opportunity to complete the requirements via supplementary examination
Opportunity to raise an approved grade via renewed examination
Examiner
Ethical approach
- All members of a group are responsible for the group's work.
- In any assessment, every student shall honestly disclose any help received and sources used.
- In an oral assessment, every student shall be able to present and answer questions about the entire assignment and solution.