-
Basic concepts of statistical mechanics
- ensembles
- phase space
- partition function
- thermodynamic state variables
- special cases
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Molecular simulation
- Monte Carlo simulation (MC)
- molecular dynamics (MD)
- effective pair potentials
Module MV-TD-107-M-4
Molecular Thermodynamics (M, 3.0 LP)
Module Identification
Module Number | Module Name | CP (Effort) |
---|---|---|
MV-TD-107-M-4 | Molecular Thermodynamics | 3.0 CP (90 h) |
Basedata
CP, Effort | 3.0 CP = 90 h |
---|---|
Position of the semester | 1 Sem. in WiSe |
Level | [4] Bachelor (Specialization) |
Language | [DE] German |
Module Manager | |
Lecturers | |
Area of study | [MV-LTD] Engineering Thermodynamics |
Reference course of study | [MV-88.808-SG] M.Sc. Computational Engineering |
Livecycle-State | [NORM] Active |
Courses
Type/SWS | Course Number | Title | Choice in Module-Part | Presence-Time / Self-Study | SL | SL is required for exa. | PL | CP | Sem. | |
---|---|---|---|---|---|---|---|---|---|---|
2V+1U | MV-TD-86056-K-4 | Molecular Thermodynamics
| P | 42 h | 48 h | - | - | PL1 | 3.0 | WiSe |
- About [MV-TD-86056-K-4]: Title: "Molecular Thermodynamics"; Presence-Time: 42 h; Self-Study: 48 h
Examination achievement PL1
- Form of examination: oral examination (15-30 Min.)
- Examination Frequency: each semester
- Examination number: 10068 ("Molecular Biotechnology")
Evaluation of grades
The grade of the module examination is also the module grade.
Contents
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
Requirements for attendance (informal)
Modules:
Requirements for attendance (formal)
None
References to Module / Module Number [MV-TD-107-M-4]
Course of Study | Section | Choice/Obligation |
---|---|---|
[MV-88.808-SG] M.Sc. Computational Engineering | Pflichtmodule | [P] Compulsory |
[MV-88.A29-SG] M.Sc. Biological and Chemical Engineering | Studienschwerpunkt II | [WP] Compulsory Elective |
Module-Pool | Name | |
[MV-ALL-MPOOL-6] | Wahlpflichtmodule allgemein | |
[MV-BioVT-MPOOL-6] | Wahlpflichtmodule Bioverfahrenstechnik |
Notes on the module handbook of the department Mechanical and Process Engineering
Ausnahmen: