Overordnede kursusmål
To solve a problem-based engineering task (prediction of a better
catalyst for production or decomposition of H2O2) through teamwork.
Special focus on the interplay of the various engineering steps
involved in this process, i.e. combination of experimental
characterizations and theoretical simulations of various materials
to rationally predict a better catalyst.
Læringsmål
En studerende, der fuldt ud har opfyldt kursets mål, vil kunne:
- Explain the fundamental concepts of Catalysis and typical
applications for e.g. energy conversion or green production of
chemicals. Explain the difference between reaction kinetics and
thermodynamics and how to derive rate laws, rate constants and
activation energies to assess the kinetics of a catalytic
reaction
- Describe how to experimentally assess the stability and
activity of a catalyst in a given reaction
- Describe how to theoretically determine trends in activity of
reactions in heterogeneous catalysis by the use of proper
descriptors and obtain activity volcanoes as a function of these
descriptors
- Devise a project plan including detailed time management 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
- Assess safety aspects and find relevant information to conduct
experiments safely
- Measure/analyze the catalytic activity for H2O2
decomposition/production and measure/analyze EDX data to determine
chemical constituents
- Relate descriptor values from theoretical calculations to the
experimental results to classify the activity of different
materials and derive kinetic models of processes in catalytic
processes
- Analyze and discuss possible sources of error in the
measurements and calculations
- Determine the best catalyst for H2O2 based on the right
classification and formulate a strategy for rational catalyst
design towards an even better catalyst
Kursusindhold
This course builds on knowledge gathered in the Design-Build 1
course, but it will address a completely different (novel) problem
set: The task to be solved in this course is related to the
decentralized production of H2O2 for e.g. water treatment.
Traditionally, H2O2 is produced in a complicated and expensive
centralized way in very few plants worldwide, which leads to
problems with transportation and availability, e.g. in
underdeveloped countries. These problems could be solved by a
decentralized “green” production using novel catalysts. In this
course you will go through the different phases of rational design
for such catalysts covering both experimental and theoretical
aspect.
Based on introductory lectures, you will (1) experimentally assess
the activity and constituents of a number of potential catalyst
materials, (2) use theoretical models to calculate trends in
activity for these materials by the use of proper descriptors, (3)
obtain activity volcanoes as a function of these descriptors and
(4) combine your experimental and theoretical results and determine
the best catalyst for H2O2 based on the proper classification. In
the end, you should be able to formulate a general strategy for
rational catalyst design towards a (maybe) even better catalyst.
Interdisciplinary student teams will be formed with special
consideration for the required skills/competencies needed for the
problem. Given the time constraints of the 3-weeks course, special
emphasis will be put on the development of an efficient project
plan with appropriate time management. These plans will be
presented and peer-reviewed during the course.
Sidst opdateret
08. maj, 2019
