After successful completion of the course, students are able to...
1. formulate mass balances for different types of steady state processes efficiently,
2. formulate the energy balance based on conventional enthalpy,
3. access thermodynamic property data from open sources,
4. formulate chemical equilibrium conditions and the concept of quantification of equilibrium approach,
5. apply basic principles for the formulation of chemical kinetics respecting thermodynamic requirements, and
6. base their judgement on own experience in model implementation.
A general approach towards the formulation of mathematical models is presented. Ideally, modelling proceeds from a system level towards a more and more detailed description of the subject. In this respect, mass and energy balances are formulated first followed by description of chemical equilibrium formulations, chemical kinetics and mass transfer phenomena, one after another. Real life examples illustrate the different "levels" of modelling. It is important to notice that every step of adding details to the model must be justified by both the problem definition and the available information about the physical phenomena. The lecture further provides an overview on available software tools. It shows the implementation of basic numerical tools in general programming environments.
What to expect:
Decision background: What type of model to use for what type of problem
Abstraction: How to formulate efficient and robust mathematical models
Basic numerics: How to solve the model equations in self-made simulation structures
Application-basis: Numerous examples and voluntary exercises included for illustration
Lecture-type course with interactive elements
The lecture follows the available lecture notes including many practical modelling examples.
The students are encouraged to contribnute own modelling exercises and share their experience with the class.
The lecture addresses master and PhD students in the field of chemical technology, process engineering and mechanical engineering/energy technology.
Oral exam, email-appointment
The students can collect credits for the exam by presenting own exercises during the coure lessions.
Not necessary
Lecture notes for this course are available. The lecture notes are provided for download. Useful literature is refereced in the lecture notes.
Fundamentals of thermodynamics recommended
