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:

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

SWS 2V+1U
CP, Effort 3.0 CP = 90 h
Position of the semester 1 Sem. in WiSe
Level [4] Bachelor (Specialization)
Language [DE] German
Lecturers
Area of study [MV-LTD] Engineering Thermodynamics
Additional informations
Livecycle-State [NORM] Active

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