Module A1.3 - Physical Chemistry

Week 1

15.10.2018

Introduction and overview

• history of thermodynamics
• definitions

First law of thermodynamics

• work and heat
• path dependence of work
• internal energy

Thermochemistry

• standard enthalpy changes
• Hess’ law
• spontaneous reactions

Week 2

22.10.2018

Seminar

Second law of thermodynamics

• dispersal of energy
• entropy
• Helmholtz and Gibbs energies

Physical transformations

• Phase diagrams
• chemical potential

Week 3

29.10.2018

Seminar

01.11.2018 

Transport phenomena

• osmosis
• dialysis
• diffusion
• Fick's law

02.11.2018

Seminar

Week 4

05.11.2018

Chemical equilibrium I

• equilibrium constant
• LeChatelier's principle
• Henderson-Hasselbalch equation

08.11.2018 

Seminar

09.11.2018

Introduction to equilibrium electrochemistry I

• electrochemical reactions
• cell potential

Week 5

12.11.2018

Seminar

Introduction to equilibrium electrochemistry II

• Nernst equation
• standard potential

Chemical kinetics

• empirical methods
• rates of reaction

Week 6

19.11.2018

Rate laws of chemical reactions I

22.11.2018

Rate laws of chemical reactions II

23.11.2018

Week 7

26.11.2018

Enzyme kinetics

29.11.2018

30.11.2018

Week 8

03.12.2018

06.12.2018

07.12.2018

Week 9

10.12.2018

Breakdown of classical mechanics

• black body radiation
• photoelectric effect
• Compton effect

13.12.2018

Waves and photons

• wave-particle duality
• Heisenberg uncertainty prionciple
• de Broglie relationship

14.12.2018

Week 10

17.12.2018

Basic principles of quantum mechanics

• Schrödinger equation
• wavefunction (Born interpretation)
• operator
• quantization

Methods & applications of quantum mechanics

• particle in a box
• harmonic oscillator

Week 11

07.01.2019

Atomic structure & spectra I

• hydrogen atom
• atomic spectra of hydrogen like atoms

Atomic structure & spectra II

• structure and spectra of multielectron atoms
• Pauli principle
• Hund’s rule

Molecular structure I

• Born-Oppenheimer approximation

Week 12

14.01.2019

Seminar

Molecular structure II

• valence bond theory (hybridization)

Molecular structure III

• variational principle
• perturbation theory

Week 13

21.01.2019

Seminar

 Molecular structure IV

• molecular orbital theory
• linear combination of atomic orbitals

 Molecular structure V

• Slater determinat
• Hückel approximation

Week 14

28.01.2019

Seminar

Hartree-Fock method I

• electron correlation

Hartree-Fock method II

• configuration interaction

Week 15

04.02.2019

Seminar

Density functional theory I

• Hohenberg-Kohn theorem

Density functional theory II

• Kohn-Sham approach