Faculteit  Science and Engineering 
Jaar  2022/23 
Vakcode  WBCH02605 
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 computational tools (Python and Excel) 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 MaxwellBoltzmann 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 Excel and Python). The material is presented in Atkins, De Paula, and Friedman: Physical Chemistry, Quanta, Matter, Change, 2nd Ed, Focus 1, 12, 13, and Topic 78.1ab. Supporting material and Python exercises 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 
Practisch werk (PR), Schriftelijk tentamen (WE), Tussentoets (IT)
(Final mark: Written exam 85%, Interim test 5%, Computer practical 10%) 

Vaksoort  propedeuse  
Coördinator  K.M. Tych, PhD.  
Docent(en)  K.M. Tych, PhD.  
Verplichte literatuur 


Entreevoorwaarden  The course unit assumes prior knowledge acquired from Calculus 1, Concepts of Chemistry and Chemical Engineering, BSc Chemistry, Period Ia, and high school physics.  
Opmerkingen  The final grade is the sum of the final exam (max. 8 pt), the intermediate test (max 1 pt) and the assignments (1 pt). In order to pass the course a score of 55% or greater is required in the final exam.  
Opgenomen in 
