NWI-MOL059
Statistical Thermodynamics
Course infoSchedule
Course moduleNWI-MOL059
Credits (ECTS)6
CategoryBA (Bachelor)
Language of instructionEnglish
Offered byRadboud University; Faculty of Science; Moleculaire Wetenschappen;
Lecturer(s)
Coordinator
prof. dr. H.M. Cuppen
Other course modules lecturer
Lecturer
prof. dr. H.M. Cuppen
Other course modules lecturer
Contactperson for the course
prof. dr. H.M. Cuppen
Other course modules lecturer
Examiner
prof. dr. H.M. Cuppen
Other course modules lecturer
Academic year2018
Period
KW2  (05/11/2018 to 27/01/2019)
Starting block
KW2
Course mode
full-time
Remarks-
Registration using OSIRISYes
Course open to students from other facultiesYes
Pre-registrationNo
Waiting listNo
Placement procedure-
Aims

At the end of the course you are able to

  • construct and interpret expressions for microcanonical, canonical and grand canonical partition functions for ideal gas systems
  • apply these partition functions to obtain thermodynamic quantities such as energy, free energy and heat capacity
  • work with the Boltzmann, Bose-Einstein, and Fermi-Dirac distribution functions to determine the occupancy of energy levels for non-interacting systems
  • produce equilibrium and rate constants for reactions in the gas phase based on the molar partition functions
  • describe the basic concepts behind Monte Carlo simulations to determine thermodynamic quantities for non-ideal systems
  • discuss the origin of the virial coefficients in the virial expansion of the pressure for non-ideal gasses
Content

The course will provide the physico-chemical basis behind thermodynamics by making the connection between the microscopic and macroscopic properties of a system.
Statistical thermodynamics uses the energy states of the molecules in a system, either from quantum mechanics of from experiments, to calculate the macroscopic thermodynamic quantities of the system.
The central role of the Boltzmann distribution and of the partition function will be treated in detail. For a number of relatively simple systems the explicit calculations will be carried out.
Part of these applications of statistical thermodynamics will be treated in the computer tutorials in which physico-chemical processes will be simulated.

Topics
• Energy states of molecules
• Occupation probability
• Boltzmann equation
• Partition function
• Thermodynamics from partition functions
• Applications
• Computer simulations

Test information
Written test and in addition, the computer assignments must be graded 'satisfactory'. During the exam graphical calculators are not allowed.

Prerequisites
Thermodynamics (NWI-MOL017). This is a course in the theme 'Functionality'.

Required materials
Book
P.W. Atkins & Julio De Paula, Physical chemistry, ed. 7-10

Recommended materials
Syllabus
Syllabus of the course

Instructional modes
Lecture

Practical computer training

Tutorial

Zelfstudie

Tests
Exam
Test weight1
Test typeExam
OpportunitiesBlock KW2, Block KW3

Assignments
Test weight0
Test typeAssignment
OpportunitiesBlock KW2