KEMS4180 Statistical Thermodynamics of Chemical Systems (3–6 cr)

Study level:
Advanced studies
Grading scale:
0-5
Language:
English
Responsible organisation:
Department of Chemistry
Curriculum periods:
2020-2021, 2021-2022, 2022-2023

Description

  • Refresher of classical Thermodynamics
  • Statistical thermodynamics 
  • Thermodynamic ensembles, 
  • partition functions,
  • intermolecular interactions
  • reaction rate theory
  • Computational methods 

The course can be completed with 3 or 6 credits. The 3-credit version consists of 10 lectures, 8 homework exercises and an open-book written exam. The material covers the content listed above.

To get an additional 3 credits, the student and teacher select a topic together that is related to the course and the student and decide on an assignment that the student will independently complete. Examples include developing a small computer program to compute thermodynamic properties of a simple system; perform a molecular dynamics practical, participate in an ongoing research project. The 3 extra credits are awarded based on a written report and oral presentation of the project.

Learning outcomes

Upon completion of the course, the student

  • understands the link between quantum chemistry and thermodynamics.
  • can compute thermodynamic quantities from first principles.
  • can compute reaction rates from first principles.

Working life skills

  • Understanding the relationship between molecular structure and thermodynamics.
  • Understanding the properties of materials based on the interactions between molecules.

Additional information

The course can be taken in 2021-2022.

Description of prerequisites

KEMA2240 Thermodynamics and Chemical equilibrium (or KEMA224 Physical Chemistry 1) and KEMA2250 Structure of atoms and molecules (or KEMA225 Physical Chemistry 2), or equivalent.

Study materials

  • Peter Atkins, Physical Chemistry, 2009, Oxford University Press (ISBN: 1429218126)
  • F. Mandl, Statistical Physics, 1989, J. Wiley & Sons (ISBN: 0471915335)

Completion methods

Method 1

Evaluation criteria:
Passing the course (3 ETCS) requires at least 50 % of the maximum score of the course. The 3 extra credits are awarded based on a written report and oral presentation of the project.
Time of teaching:
Period 3
Select all marked parts
Parts of the completion methods
x

Teaching (3–6 cr)

Type:
Participation in teaching
Grading scale:
0-5
Language:
English
Study methods:

3 ECTS: lectures, exercises and exam

6 ECTS: In addition written report of the project and oral presentation

No published teaching