Physical Chemistry 1
Faculteit  Science and Engineering 
Jaar  2017/18 
Vakcode  CHFC110 
Vaknaam  Physical Chemistry 1 
Niveau(s)  propedeuse 
Voertaal  Engels 
Periode  semester II a 
ECTS  5 
Rooster  rooster.rug.nl 
Uitgebreide vaknaam  Physical Chemistry 1  
Leerdoelen  At the end of the course, the student is able to: 1. reproduce the concepts and quantification of motion as described by classical mechanics, in particular in relation to the motions of molecules: translation, rotation, and vibration 2. calculate the energies of the molecular motions, given their chemical formula, geometry, and state (and vice versa), both on paper and using advanced computational tools (Mathematica) 3. explain the relationship between the states of individual molecules and the macroscopic state of a collection of molecules under conditions of equilibrium, and apply the Boltzmann distribution to compute macroscopic properties from molecular data (and vice versa) 4.reproduce the concepts of thermochemistry and thermodynamics, how one can learn about the states and energy of molecules by acting on a system of molecules by performing work and transferring energy by heat exchange, and be able to perform thermodynamical calculations for transformations of gases 5. 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 classical mechanics: (threedimensional) equations of motion, force and momentum, conservation of total energy and momentum. Kinetic energy and work. The relationship between a conservative force and potential energy. Discussion of the most fundamental force for understanding chemistry, the Coulomb force. Simple models for molecular motion and the energy associated with them: translation, rotation around an axis in a plane, and simple harmonic motion for vibration. Exchange of energy between molecules through collisions; the difference between (completely) elastic and (completely) inelastic collisions. The state of a molecule and the state of many molecules and the empirical relation between state variables, the equation of state. The energy of many molecules: thermal and mechanical equilibrium, Boltzmann distribution, equipartition principle, the energy equation. Introduction to thermochemistry and thermodynamics: converting the energy of a collection of molecules into (useful) work. Learning about molecules by exchanging energy with a collection of them through heat exchange and/or work. Direction of spontaneous change: entropy. State functions energy, enthalpy, entropy, free energy. Thermodynamic calculations of common processes using the Laws of Thermodynamics. Work through expansion and compression. Distinction between isothermal, adiabatic, isobaric, and isochoric processes. The mathematical techniques applied in this course are: elementary algebra, numerical and analytical integration, differentiation, linear first and secondorder differential equations, elementary vector calculus. Practise is provided in tutorial and computer exercises (using Mathematica). The material is presented in a Reader and in Atkins and De Paula: Physical Chemistry, Ch. F, 13. 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: 30 hours, tutorial: 30 hours, computer practical: 32 hours, self study: 48 hours) 

Toetsvorm  Opdracht (AST), Practisch werk (PR), Schriftelijk tentamen (WE)  
Vaksoort  propedeuse  
Coördinator  dr. A.H. de Vries  
Docent(en)  dr. A.H. de Vries  
Verplichte literatuur 


Entreevoorwaarden  The course unit assumes prior knowledge acquired from Calculus 1, BSc Chemistry, Period Ia, and highschool physics.  
Opmerkingen  Assessment criteria: The majority of the tests assess the ability of the students to apply the concepts of classical mechanics and thermodynamics 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. Bonus points for homework assignments are awarded on a passno pass basis, i.e. 5 or none, depending on the total score on the assignment. The cutoff is chosen such that if the homework assignment were a final written test, the mark would be an undisputed pass. 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 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 + bonus points for homework assignments (5 points for each of two assignments), 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. Bonus points are not valid on the reexamination. The course unit is often followed by, or prepares students for, Spectroscopy, BSc Chemistry and Chemical Engineering, year 1, Period Ia, and Physical Chemistry 2, BSc Chemistry, year 2, Period IIa, in which the learning objectives attained are required as prior knowledge. 

Opgenomen in 
