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

• 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.

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.
  

The course can be taken in 2021-2022.

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

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