Physical Chemistry 2
Faculteit  Science and Engineering 
Jaar  2022/23 
Vakcode  WBCH01505 
Vaknaam  Physical Chemistry 2 
Niveau(s)  bachelor 
Voertaal  Engels 
Periode  semester I b 
ECTS  5 
Rooster  rooster.rug.nl 
Uitgebreide vaknaam  Physical Chemistry 2  
Leerdoelen  At the end of the course, the student is able to: 1. reproduce the concepts and quantification of equilibrium in molecular systems: mechanical, thermal, and chemical equilibrium 2. calculate the (Gibbs) free energy of pure substances and simple mixtures as a function of pressure, temperature, volume, and composition, and be able to predict the position of equilibria from the (Gibbs) free energy 3. reproduce the concepts and quantification of Statistical Thermodynamics, providing the link between the energy levels of individual molecules and the macroscopic properties of assemblies of molecules and be able to perform calculations using the partition function of the system 4. interpret and construct phase diagrams of pure substances and simple mixtures 5. reproduce the concepts and quantification of changes in molecular systems due to gradients: particle and heat transport, and their connection to the chemical potential and be able to apply them in relevant calculations 6. reproduce the concepts and quantification of collision theory, providing the link between the collisions of individual molecules to macroscopic reaction rates and be able to apply them in relevant calculations 7. point out the assumptions made in the derivations of the equations and their limitations in relation to the nature of real molecules 

Omschrijving  Introduction to statistical mechanics and statistical thermodynamics: in equilibrium the total energy and the distribution of the total energy of a collection of molecules (assembly) over the individual molecules determines the macroscopic state, which can be realized in many ways, called microstates. The possible microstates are determined by the boundary conditions of the assembly: constant energy, constant temperature, etc. From a knowledge of the energy levels of individual molecules and the boundary conditions of the assembly, the macroscopic properties can be predicted. A central quantity in this connection between microscopic and macroscopic worlds is the (canonical) partition function, which will be calculated for simple models of molecular energies and be used to calculate thermodynamic state functions: energy, entropy, and free energy. From a knowledge of the free energy, equilibria of all kinds can be predicted: coexistence of phases of pure substances and mixtures, as well as chemical equilibria. Calculations will be made for simple models demonstrating the use of the free energy in determining these equilibria. From the position of the equilibria phase diagrams of pure substances and simple (gas, liquid, solid) mixtures are constructed. Finally, equilibria are changed by altering the conditions. The rates of change can be understood by studying molecular motion and the collisions between molecules. Kinetic theory and collision theory will be introduced and developed and used to interpret and calculate transport properties (Fick's laws for diffusion and heat transport) and rate constants of chemical reactions. The mathematical techniques applied in this course are: elementary algebra, elementary statistics, numerical and analytical integration, differentiation, linear first and secondorder differential equations. Practice is provided in tutorial and computer exercises (using Python). 

Uren per week  
Onderwijsvorm 
Hoorcollege (LC), Practisch werk (PRC), Werkcollege (T)
(Total hours of lectures: 28 hours, tutorials: 16 hours, computer practicals: 16 hours, self study: 80 hours) 

Toetsvorm 
Practisch werk (PR), Schriftelijk tentamen (WE)
(See remarks.) 

Vaksoort  bachelor  
Coördinator  dr. A.H. de Vries  
Docent(en)  dr. A.H. de Vries  
Verplichte literatuur 


Entreevoorwaarden  The course unit assumes prior knowledge acquired from Maths for Chemistry and Engineering, Concepts of Chemistry and Engineering, Molecules: Structure, Reactivity and Function,Transport Phenomena, Physical Chemistry I, Spectroscopy and Linear Algebra & Multivariable Calculus for Chemistry bachelor programme Chemistry and Chemical Technology (year 1). The course unit is often followed by, or prepares students for, Molecular Design, degree programme Chemistry (year 2); Macromolecular Chemistry, degree programme Chemistry (year 2); Electrochemistry, degree programme Chemistry (year 2), Physical Organic and PhotoChemistry, degree programme Chemistry (year 3), in which the learning objectives attained are required as prior knowledge. 

Opmerkingen  The final mark is determined by the performance on the final written exam. The minimum pass score on the final written exam is 55%. Computer assignments are graded with a pass/no pass. The grade can only be given if the computer practical assignments have been handed in and assessed with a pass grade.  
Opgenomen in 
