| Week |
Lecturer |
Subject |
Content |
|
1
17.10.2016
|
Neugebauer |
Introduction and overview
|
- history thermodynamics
- definitions
Download: Slides
|
| 20.10.2016 |
Neugebauer |
First law of thermodynamics
|
- work and heat
- path dependence of work
- internal energy
Download: Slides
|
|
2
24.10.2016
|
Neugebauer |
Thermochemistry
|
- standard enthalpy changes
- Hess’s law
- spontaneous reactions
Download: Slides
|
| 27.10.2016 |
Neugebauer |
Second law of thermodynamics
|
- dispersal of energy
- entropy
- Helmholtz and Gibbs energies
|
|
3
31.10.2016
|
|
Public holiday |
|
|
03.11.2016
|
Neugebauer |
Physical transformation
|
- Phase diagrams
- chemical potential
|
|
4
07.11.2016
|
Neugebauer |
Phase transistions |
- equilibria in one- and two component systems
|
|
10.11.2016
|
Neugebauer |
Transport phenomena |
- diffusion
- transport across membranes
- gas exchange in the lungs
|
|
5
14.11.2016
|
Neugebauer |
Mixtures |
- boiling diagrams
- thermodynamics of mixing
- activities
|
| 17.11.2016 |
Neugebauer |
Chemical equilibrium I |
- equilibrium constant
- LeChatelier's principle
- Henderson-Hasselbalch equation
|
|
6
21.11.2016
|
Neugebauer |
Chemical equilibrium II / Introduction to equilibrium electrochemistry I |
- titration curves
- application of equilibrium calculations to drug design
- electrochemical reactions
- cell potential
|
|
24.11.2016
|
Neugebauer |
Introduction to equilibrium electrochemistry II |
- Nernst equation
- standard potential
|
|
7
28.11.2016
|
Schmitt |
Chemical kinetics / Rate laws of chemical reactions I |
- extent of reaction
- reaction rate
- reaction order
- molecularity
- first order reactions
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|
|
01.12.2016
|
Neugebauer |
Rate laws of chemical reactions II |
- second order reactions
- third order reactions
- zero order reactions
- determination of rate orders
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|
|
8
05.12.2016
|
Huang, Schmitt |
Kinetics of complex reactions |
- equilibrium reactions
- consecutive reactions (steady state approximation)
- enzyme reactions (Michaelis Menten)
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|
|
08.12.2016
|
Huang, Schmitt |
Temperature dependency of reactions / Theory of activated complex |
- Arrhenius equation
- potential surface, reaction coordinate
- activated complex
- Eyring equation
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|
|
9
12.12.2016
|
Huang, Schmitt |
Experimental methods to measure kinetics |
- stopped flow
- continuous flow
- relaxation methods
- flash photolysis
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|
| 15.12.2016 |
Huang, Schmitt |
Breakdown of classical mechanics |
- black body radiation
- photoelectric effect
- Compton effect
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|
|
10
19.12.2016
|
Huang, Schmitt |
Waves and photons |
- wave-particle duality
- Heisenberg uncertainty prionciple
- de Broglie relationship
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|
| 22.12.2016 |
Huang, Schmitt |
Basic principles of quantum mechanics |
- Schrödinger equation
- wavefunction (Born interpretation)
- operator
- quantization
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|
|
11
02.01.2017
|
Huang, Schmitt |
Methods & applications of quantum mechanics |
- particle in a box
- harmonic oscillator
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|
| 05.01.2017 |
Huang, Schmitt |
Atomic structure & spectra I |
- hydrogen atom
- atomic orbitals
- atomic spectra of hydrogen like atoms
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|
|
12
09.01.2017
|
Huang, Schmitt |
Atomic structure & spectra II |
- structure and spectra of multielectron atoms
- Pauli principle
- Hund’s rule
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|
| 12.01.2017 |
Huang, Schmitt |
Molecular structure I |
- Born-Oppenheimer approximation
- valence bond theory (hybridization)
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|
|
13
16.01.2017
|
Huang, Schmitt |
Molecular structure II
|
- variational principle
- perturbation theory
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|
| 19.01.2017 |
Huang, Schmitt |
Molecular structure III
|
- molecular orbital theory
- linear combination of atomic orbitals
- Slater determinat
- Hückel approximation
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|
|
14
23.01.2017
|
Huang, Schmitt |
Hartree-Fock method
|
- electron correlation
- configuration interaction
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|
| 26.01.2017 |
Huang, Schmitt |
Density functional theory |
- Hohenberg-Kohn theorem
- Kohn-Sham approach
Slides: see 23.01.
|
|
15
30.01.2017
|
Huang, Schmitt |
Selected examples of quantum mechanical calculations |
Download: Slides |
| 02.02.2017 |
Schmitt, Popp, Neugebauer, Huang |
Summary |
|
