    Course module   NWIMOL059  Category   BA (Bachelor)  Language of instruction   English  Offered by   Radboud University; Faculty of Science; Moleculaire Wetenschappen;  Lecturer(s)     Academic year   2018   Period   KW2  (05/11/2018 to 27/01/2019) 
 Starting block   KW2  
 Course mode   fulltime  
 Remarks     Registration using OSIRIS   Yes  Course open to students from other faculties   Yes  Preregistration   No  Waiting list   No  Placement procedure    
      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.




• Energy states of molecules • Occupation probability • Boltzmann equation • Partition function • Thermodynamics from partition functions • Applications • Computer simulations 
Written test and in addition, the computer assignments must be graded 'satisfactory'. During the exam graphical calculators are not allowed. 
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

 TestsExamTest weight   1 
Test type   Exam 
Opportunities   Block KW2, Block KW3 
 AssignmentsTest weight   0 
Test type   Assignment 
Opportunities   Block KW2 


  
 
 