Physical Chemistry 2
Faculteit  Science and Engineering 
Jaar  2017/18 
Vakcode  CHFC211 
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. Practise is provided in tutorial and computer exercises (using Mathematica). The material is presented largely in Atkins and De Paula: Physical Chemistry, Ch. 16, 1516, 20, and 22 (9th Ed). Supporting material and Mathematica notebooks are made available through the NESTOR website. 

Uren per week  
Onderwijsvorm 
Hoorcollege (LC), Practisch werk (PRC), Werkcollege (T)
(Total hours of lectures: 26 hours, tutorials: 24 hours, computer practicals: 16 hours, self study: 74 hours) 

Toetsvorm 
Practisch werk (PR), Schriftelijk tentamen (WE)
(Written exam: 75%, computer practical: 25%) 

Vaksoort  bachelor  
Coördinator  dr. A.H. de Vries  
Docent(en)  prof. dr. W.R. Browne ,dr. A.H. de Vries  
Verplichte literatuur 


Entreevoorwaarden  The course unit assumes prior knowledge acquired from Calculus, Molecules: Structure, Reactivity and Function, and Physical Chemistry I, bachelor programme Chemistry and Chemical Technology (year 1). The course unit is often followed by, or prepares students for, Molecular Design, degree programme Chemistry, track Smart Materials (year 2); Macromolecular Chemistry, degree programme Chemistry, all tracks (year 2); Physical Organic and PhotoChemistry, degree programme Chemistry, track Sustainable Chemistry and Energy (year 3), in which the learning objectives attained are required as prior knowledge. 

Opmerkingen  Assessment criteria: The majority of the tests assess the ability of the students to apply the concepts of equilibria and collision theory to numerical problems. Assessments of these skills reward correct use of standard formulae and equations, clear presentation of derivations of formulae, correct numerical calculations, and correct use of units. As far as explaining concepts, assumptions, and limitations are concerned, correct statements and sound reasoning are rewarded. A template for answers including a points scheme is provided for each test, and I refer to those documents for details. The computer practical test is assessed on correctness of the implementation, readability of the implementation, style of presentation, and comments on the results. There is no strict adherence to a template required and the marking is rounded to half integer points. The final mark for the course unit is determined as a weighted average over the theoretical (3 parts) and practical (1 part) test marks. The theoretical test mark is calculated as the number of points (maximum 100) scored on the final written exam divided by 10, with a maximum of 10. There is a requirement that the number of points on the final written exam is at least 45. Lectures and seminars are not always strictly separated; mostly they are combined, where discussing tutorial problems (partly prepared at home, partly during the lecture) is part of the lecture. These sessions are scheduled as lecture/exercises. 

Opgenomen in 
