Moses - Modeling of Catalyst Systems

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Module / Version:
#20760 / #2

Validity:
Seit WiSe 2022/23

Default display language:
English

Module title:
Modeling of Catalyst Systems

Credits:
6

Responsible person:
Heß, Franziska

Grading:
benotet

Type of exam:
Mündliche Prüfung

Zugehörigkeit

Faculty:
Fakultät II

Institute:
Institut für Chemie

Area of expertise:
No information

Prüfungsausschuss:
Technische Chemie

Kontakt

Office:
TC 8

Contact person:
Beuster, Frank

E-mail address:
f.hess@tu-berlin.de

Website:
No information

Learning Outcomes

The participants know and understand modelling approaches for heterogeneous and electrocatalysis on different time and length scales. They understand the meaning of reaction mechanisms at solid surfaces on the atomic scale and are able to explain how modelling approaches are combined to bridge time and length scales. They can select suitable modelling approaches for simple problems in catalysis and apply them successfully. The are acquainted with programs employed in catalyst modelling and know how to use them.

Content

Theoretical basics of reactions on surfaces of heterogeneous and electrocatalysts, current modeling approaches to describe and predict reaction mechanisms, catalytic activity and selectivity, methods to reduce the complexity of catalyzed reactions, scale-bridging approaches, validation of models, application of numerical and density functional theoretical calculations to problems in of catalysis.

Module Components

Pflichtgruppe:

All Courses are mandatory.

Course Name	Type	Number	Cycle	Language	SWS	VZ
Modellierung von Katalysatorsystemen	SEM	3235 L 0845	WiSe/SoSe	German/English	2
Modellierung von Katalysatorsystemen	VL	0235 L 0845	SoSe	German	2

Workload and Credit Points

Modellierung von Katalysatorsystemen (SEM):

Workload description	Multiplier	Hours	Total
Attendance	15.0	2.0h	30.0h
Preparation	15.0	3.0h	45.0h
			75.0h(~3 LP)

Modellierung von Katalysatorsystemen (VL):

Workload description	Multiplier	Hours	Total
Attendance	15.0	2.0h	30.0h
Preparation	15.0	3.0h	45.0h
			75.0h(~3 LP)

Course-independent workload:

Workload description	Multiplier	Hours	Total
Exam preparation	1.0	30.0h	30.0h
			30.0h(~1 LP)

The Workload of the module sums up to 180.0 Hours. Therefore the module contains 6 Credits.

Description of Teaching and Learning Methods

The material will be taught through lectures and and an integrated seminar with practical computer exercises including a project report.

Requirements for participation and examination

Desirable prerequisites for participation in the courses:

keine

Mandatory requirements for the module test application:

1. Requirement

Successful completion of a mini project and submission of research report / Erfolgreiches Bearbeiten eines Miniprojekts und Einreichen eines Forschungsberichts

Module completion

Grading

graded

Type of exam

Oral exam

Language

English

Duration/Extent

No information

Duration of the Module

The following number of semesters is estimated for taking and completing the module:
1 Semester.

This module may be commenced in the following semesters:
Winter- und Sommersemester.

Maximum Number of Participants

The maximum capacity of students is 20.

Registration Procedures

Die Anmeldung zur Modulprüfung erfolgt über die zentrale Online-Prüfungsverwaltung.

Recommended literature
.K. Norskov, Felix Studt, Frank Abild-Pedersen, T. Bligaard, Fundamental Concepts in Heterogeneous Catalysis, Wiley (2014)
I. Chorkendorff, Concepts of Modern Catalysis and Kinetics, Wiley-VCH (2017)
O. Deutschmann (Hrsg.), Modeling and Simulation of Heterogeneous Catalytic Reactions: From the Molecular Process to the Technical System, Wiley-VCH (2011)

Assigned Degree Programs

Semester:

Zeige auch ausgelaufene Studiengänge und StuPOs

This module is used in the following Degree Programs (new System):

	Studiengang / StuPO	StuPOs	Verwendungen	Erste Verwendung	Letzte Verwendung
	Chemie (M. Sc.)	2	32	WiSe 2022/23	SoSe 2024
	Chemieingenieurwesen (M. Sc.)	2	7	WiSe 2022/23	SoSe 2024

Zielgruppe: Studierende der Studiengänge M.Sc. Chemie (Wahlpflichtbereich: "Technische Chemie", "Materialwissenschaftliche Chemie", "Synthese und Katalyse", "Grüne Chemie"), M.Sc. Chemieingenieurwesen (Wahlpflichtbereich) sowie Hörer*innen aller Fachrichtungen (freier Wahlbereich)

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