 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, BoseEinstein, and FermiDirac distribution functions to determine the occupancy of energy levels for noninteracting 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 nonideal systems
 discuss the origin of the virial coefficients in the virial expansion of the pressure for nonideal gasses

 The course will provide the physicochemical 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 physicochemical processes will be simulated.




• P.W. Atkins & Julio De Paula, Physical chemistry, ed. 710; recommended • Syllabus; recommended 
• 14 hours computer course • 26 hours lecture • 24 hours problem session • 104 hours individual study period 
The course closes with a written exam. Two computer courses should be complete satifactory. Graphical Calculators are prohibited during the exam. 
• Energy states of molecules • Occupation probability • Boltzmann equation • Partition function • Thermodynamics from partition functions • Applications • Computer simulations 
Written test and in addition, the computer commands with a sufficient are appreciated. During the exam one may not use graphical calculators. 
Thermodynamics (NWIMOL017)This is a course in the theme 'Functionality'. 
  Required materialsBookP.W. Atkins & Julio De Paula, Physical chemistry, ed. 710 

 Recommended materialsSyllabus 
 Instructional modesLecture
 Practical computer training
 Tutorial
 Zelfstudie

 TestsTentamenTest weight   1 
Opportunities   Block KW2, Block KW3 


 