FAE3009 Geochemical Modelling with Visual MINTEQ 5.0 credits

Geokemisk modellering med Visual MINTEQ

Förhandsgranska kursplanen (sv)Förhandsgranska kursplanen (en)LärandemålIntended learning outcomes

Efter avslutad kurs ska kursdeltagaren ha kunskap om vad som kan göras (och vad som inte kan göras) med ett geokemiskt jämviktsprogram som Visual MINTEQ. Dessutom har kursdeltagarna ha fått inblick i och erfarenhet av lösningsstrategier för mark- och vattenkemiska problem.

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.

Kursens huvudsakliga innehållCourse main content

Introduktion till kemiska jämviktsprogram och termodynamiska databaser, simulering av ämnens speciering i vattenfas (oorganiska komplex samt redoxspecies), utfällning och upplösning av mineralfaser vid jämvikt, modeller för organisk komplexbildning (SHM, NICA-Donnan) och dessas användning för simulering av metallers komplexbildning till organiskt material i vatten och i fast fas, modeller för ytkomplexbildning (DLM, CD-MUSIC) för ämnens bindning till (hydr)oxidytor (särskilt ferrihydrit och goethit), definition och användning av multiytmodeller för simulering av metallers geokemiska beteende i mark.

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.

KursuppläggCourse disposition

Övningar och föreläsningar äger rum under en intensiv vecka på KTH. Deltagarna arbetar med individuella projektuppgifter efter kursen och ska ha gjort klart dessa uppgifter senast tre månader efter avslutad kurs.

Exercises and lectures are held during one intensive week at KTH. Participants work with individual project assignments after the course and should complete the assignments no later than three months after the end of the course.

BehörighetEligibility

Minst 5 hp i vatten-, markkemi eller motsvarande kunskaper.

At least 5 ECTS credits in soil chemistry, water chemistry, or equivalent.

Kommentar till examinationsmomentExamination commentKrav för slutbetygRequirements for final grade

Korrekt lösta beräkningsuppgifter under kursens gång (3 hp), Eget individuellt projekt där Visual MINTEQ används i ett eget forskningsproblem (2 hp).

Active participation and correctly solved problems (3.0 credits), individual project in which Visual MINTEQ is used in own research (2.0 credits).

KurslitteraturCourse literature

Bokkapitel, vetenskapliga artiklar om modeller samt om exempel påanvändning av dessa.

Övningskompendium med beräkningsuppgifter som löses under kursen.

Book chapters, scientific papers on models and on the use of the models. Exercise compendium with problems that are solved during the course.

UtrustningskravRequired equipment

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Course information

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.

Course Disposition

Exercises and lectures are held during one intensive week at KTH. Participants work with individual project assignments after the course and should complete the assignments no later than three months after the end of the course.

Literature and preparations

Specific prerequisites *

At least 5 ECTS credits in soil chemistry, water chemistry, or equivalent.

Recommended prerequisites

No information inserted

Equipment

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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

Grading scale *

P, F

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

No information inserted

Opportunity to raise an approved grade via renewed examination

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Examiner

Jon Petter Gustafsson

Further information

Course web

Further information about the course can be found on the Course web at the link below. Information on the Course web will later be moved to this site.

Course web FAE3009

Offered by

ABE/Sustainability and Environmental Engineering

Main field of study *

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Education cycle *

Third cycle

Add-on studies

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Contact

Jon Petter Gustafsson (gustafjp@kth.se)

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.

Postgraduate course

Postgraduate courses at ABE/Sustainability and Environmental Engineering