Module Handbook

  • Dynamischer Default-Fachbereich geändert auf MV

Notes on the module handbook of the department Mechanical and Process Engineering

Die hier dargestellten veröffentlichten Studiengang-, Modul- und Kursdaten des Fachbereichs Maschinenbau und Verfahrenstechnik ersetzen die Modulbeschreibungen im KIS und wuden mit Ausnahme folgender Studiengänge am 28.10.2020 verabschiedet.

Ausnahmen:

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
Hasse, Hans, Prof. Dr.-Ing. (PROF | DEPT: MV)
Kohns, Maximilian, Jun.-Prof. Dr.-Ing. (PROF | DEPT: MV)
Lecturers
Kohns, Maximilian, Jun.-Prof. Dr.-Ing. (PROF | DEPT: MV)
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

From [MV-TD-86056-K-4] Molecular Thermodynamics:
  • 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

From [MV-TD-86056-K-4] Molecular Thermodynamics:
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

From [MV-TD-86056-K-4] Molecular Thermodynamics:
  • 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