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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.

Choose semester and course offering

Choose semester and course offering to see current information and more about the course, such as course syllabus, study period, and application information.

Application

For course offering

Autumn 2024 Start 26 Aug 2024 programme students

Application code

51341

Headings with content from the Course syllabus MH2057 (Autumn 2024–) are denoted with an asterisk ( )

Content and learning outcomes

Course disposition

In this course, you will get to know how to model the thermodynamics of different chemical system and to use the software Thermo-Calc. 

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
  • Readout of units such as chemical potential, running 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, running forces etc
  • Nomenclature of crystal structures
  • Introduction to the Calphad methodology

Intended learning outcomes

After passing the course, the student should be able to:

  1. Explain important concepts in thermodynamic modelling
  2. Use thermodynamic relationships for solution phases (solid phases, liquids and gas phase).
  3. Model these phases with simple models and with sub-lattice formalism (Compound Energy Formalism).
  4. Illustrate relationships between thermodynamic relations, Gibbs energy and phase diagrams.
  5. 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

No information inserted

Equipment

No information inserted

Literature

No information inserted

Examination and completion

If the course is discontinued, students may request to be examined during the following two academic years.

Grading scale

A, B, C, D, E, FX, F

Examination

  • INL1 - Assignment, 3.5 credits, grading scale: P, F
  • KON1 - Partial exam, - credits, grading scale: P, F
  • KON2 - Partial exam, - 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.

KON1 and KON2 are optional and if passed result in grade E on TEN1.

Opportunity to complete the requirements via supplementary examination

No information inserted

Opportunity to raise an approved grade via renewed examination

No information inserted

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.

Further information

Course room in Canvas

Registered students find further information about the implementation of the course in the course room in Canvas. A link to the course room can be found under the tab Studies in the Personal menu at the start of the course.

Offered by

Main field of study

Materials Science and Engineering

Education cycle

Second cycle

Add-on studies

No information inserted

Contact

Professor Malin Selleby (malin@kth.se)