Course MV-TD-86056-K-4
Molecular Thermodynamics (2V+1U, 3.0 LP)
Course Type
| SWS | Type | Course Form | CP (Effort) | Presence-Time / Self-Study | |
|---|---|---|---|---|---|
| - | K | Lecture with exercise classes (V/U) | 3.0 CP | 48 h | |
| 2 | V | Lecture | 28 h | ||
| 1 | U | Lecture hall exercise class | 14 h | ||
| (2V+1U) | 3.0 CP | 42 h | 48 h | ||
Basedata
Contents
-
Basic concepts of statistical mechanics
- ensembles
- phase space
- partition function
- thermodynamic state variables
- special cases
-
Molecular simulation
- Monte Carlo simulation (MC)
- molecular dynamics (MD)
- effective pair potentials
Competencies / intended learning achievements
1. Lecture
Students will be able to
- connect the basic concepts of statistical mechanics in a meaningful way
- design the structure of molecular models
- contrast basic methods of MC and MD simulation
2. Practice:
Students will be able to
- apply the formalism given by statistical mechanics based on classical mechanics to relate a molecular simulation method and thermodynamic state variables to each other
- work out rigorous arguments based on statistical mechanics
- identify approaches to problems in molecular thermodynamics and plan a possible concrete course of action
Literature
- Allen, M. P., Tildesley, D. J.: Computer Simulation of Liquids, Oxford University Press, 1989
Materials
Blackboard, short exercise sheets, exercise materials, script. For further information and course materials please consider the corresponding OLAT-course.
Requirements for attendance (informal)
Modules:
Requirements for attendance (formal)
None
References to Course [MV-TD-86056-K-4]
| Module | Name | Context | |
|---|---|---|---|
| [MV-TD-107-M-4] | Molecular Thermodynamics | P: Obligatory | 2V+1U, 3.0 LP |
| [PHY-SP-5-M-7] | Schwerpunktmodul Thermodynamik | WP: Obligation to choose | 2V+1U, 3.0 LP |
Notes on the module handbook of the department Mechanical and Process Engineering
Ausnahmen: