In this course, you will get to know how to model the thermodynamics of different chemical system and to use the software Thermo-Calc.
MH2057 Computational Thermodynamics 7.5 credits
In this course, you will get to know how to model the thermodynamics of different chemical system and to use the software Thermo-Calc.
About course offering
For course offering
Autumn 2024 Start 26 Aug 2024 programme students
Target group
No information insertedPart of programme
Master's Programme, Engineering Materials Science, åk 1, Mandatory
Periods
P1 (7.5 hp)Duration
Pace of study
50%
Form of study
Normal Daytime
Language of instruction
English
Course location
KTH Campus
Number of places
Places are not limited
Planned modular schedule
Course memo
Course memo is not publishedSchedule
Link to scheduleApplication
For course offering
Autumn 2024 Start 26 Aug 2024 programme students
Application code
51341
Contact
For course offering
Autumn 2024 Start 26 Aug 2024 programme students
Contact
Professor Malin Selleby (malin@kth.se)
Examiner
No information insertedCourse coordinator
No information insertedTeachers
No information insertedContent and learning outcomes
Course disposition
Course contents
- Thermodynamic models for solid phases, liquids and gas phase
- Modelling of solid substitutional and interstitial solution, carbides, oxides and intermetallic phases
- Modelling of metallic melt systems and slags
- The connection between Gibbs energy and phase diagrams
- Reading of quantities such as chemical potential, driving forces etc from molar Gibbs energy diagram
- Reference state and change of reference state and change of components
- Phase diagrams and equilibria
- Computer calculations of equilibria, phase diagrams, driving forces etc
- Nomenclature of crystal structures
- Introduction to the Calphad methodology
Intended learning outcomes
After passing the course, the student should be able to:
- Explain important concepts in thermodynamic modelling
- Use thermodynamic relationships for solution phases (solid phases, liquids and gas phase).
- Model these phases with simple models and with sub-lattice formalism (Compound Energy Formalism).
- Illustrate relationships between thermodynamic relations, Gibbs energy and phase diagrams.
- Carry out analytical and numerical calculations of thermodynamic problems.
Literature and preparations
Specific prerequisites
For CMATD, at least 90 higher education credits in the main field of study Technology from programme syllabus for year 1-3.
Recommended prerequisites
Equipment
Literature
Examination and completion
If the course is discontinued, students may request to be examined during the following two academic years.
Grading scale
Examination
- INL1 - Assignment, 3.5 credits, grading scale: P, F
- TEN1 - Written exam, 4.0 credits, grading scale: A, B, C, D, E, FX, 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.
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.