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10240 Design-Build 2: Rational catalyst design for General Engineering

2023/2024

This course is only available for students enrolled on the Bachelor study line in General Engineering BSc. Course work requires active participation in groups. Group work starts day 1. Adequate attendance in the 3-week period is required for attending the exam. In particular presence at lab exercises is mandatory.
Kursusinformation
Design-Build 2: Rational catalyst design for General Engineering
Engelsk
5
Bachelor
Juni
Campus Lyngby
Problem-based team projects:
Explore the mechanism and activity descriptors for H2O2 decomposition using theoretical simulations and experimental techniques. Devise strategies towards the rational design of better catalysts for this process.
Research project on a specific catalytic process, which explores the mechanism, activity descriptors, catalyst structural characterization, and catalyst design strategies.
3-uger
Sidste dag(e) i 3-ugersperioden
Mundtlig eksamen og bedømmelse af rapport(er)
Evaluation of group assignments and presentation. Written work done in groups will include individual contribution statements. Group assignments should be passed to attend final exam. The final grade is based on an overall assessment.
Alle hjælpemidler er tilladt
bestået/ikke bestået , intern bedømmelse
01006: Advanced Mathematics 1, 10018: Physics 1, 02631: Introduction to programming and data processing, 26030: Fundamental Chemistry, 27016: Design-Build 1
Christian Danvad Damsgaard , Lyngby Campus, Bygning 307, Tlf. (+45) 4525 6487 , cdda@dtu.dk
Ole Lynnerup Trinhammer , Lyngby Campus, Bygning 307 , ole.trinhammer@fysik.dtu.dk
Thomas Bligaard , Lyngby Campus, Bygning 313 , tbli@dtu.dk
Georg Kastlunger , Lyngby Campus, Bygning 313 , geokast@dtu.dk
Alexander Tholstrup Bagger , Lyngby Campus, Bygning 313 , alexbag@dtu.dk
10 Institut for Fysik
47 Institut for Energikonvertering- og lagring
I studieplanlæggeren

This course is only available for students enrolled on the Bachelor study line in General Engineering
Kontakt underviseren for information om hvorvidt dette kursus giver den studerende mulighed for at lave eller forberede et projekt som kan deltage i DTUs studenterkonference om bæredygtighed, klimateknologi og miljø (GRØN DYST). Se mere på http://www.groendyst.dtu.dk
Overordnede kursusmål
To learn basic principles and applications of heterogeneous catalysis and to be immersed in project work in teams.
Læringsmål
En studerende, der fuldt ud har opfyldt kursets mål, vil kunne:
  • Devise project plans for the 3-weeks course, taking into account the time constraints of the different project stages and the skills and competencies represented by individual team members
  • Explain basic principles of heterogeneous catalysis: reaction thermodynamics and kinetics, the Sabatier principle, scaling relationships, d-band model, activity descriptors, structure of single crystal surfaces
  • Use kinetic modelling to relate reaction energetics from density functional theory to activity trends in H2O2 decomposition
  • Explain how the catalytic activity for reactions like H2O2 decomposition is measured
  • Explain the principles behind characterization methods XRD, STM, XAS, and SEM/EDS
  • Perform an adequate material safety analysis before entering the laboratories
  • Perform catalyst characterization with STM, XAS, and SEM/EDS and relate the results to the chemical composition and surface topography
  • Perform catalytic test and relate the results to the catalyst morphology and theoretical activity trends
  • Present scientific ideas in oral and written form, in a clear and coherent manner
  • Work effectively in interdisciplinary teams
  • From literature review for a specific catalytic process, explain the mechanism(s), activity descriptor(s), structural characterization, controversies in literature, and strategies for catalyst design
Kursusindhold
The first assignment to be solved in this course is focused on studying the decomposition of H2O2, which has an important application in water treatment. You will use a combination of experimental techniques as well as density functional theory and kinetic modelling towards mechanistic understanding, establishing activity descriptors, and devising strategies towards the rational design for catalysts for this process.


The second assignment will build upon the general concepts learned in the first: each team will research a specific catalytic process: the activity descriptors, possible controversies in the literature, and their perspectives on strategies for catalyst design.

Interdisciplinary student teams will be formed with special consideration for the required skills/competencies needed for the problem.
Sidst opdateret
14. maj, 2024