Course detail

Computer Aided Design in Chemical Engineering

FSI-9SVCAcad. year: 2022/2023

The postgraduate students will get acquainted with process simulations and computer-aided design of processes and equipment. The course includes classification of mathematical modelling approaches for systems with mass and heat transfer, fluid flow, and chemical reactions. The students will enhance their knowledge of balancing and simulations of complex systems including multiphase, reactive, or transient processes. Furthermore, attention will be paid to numerical methods for the solution of systems of equations. Optimisation techniques for process systems will also be discussed together with error propagation and regression analysis.

Language of instruction

Czech

Number of ECTS credits

0

Mode of study

Not applicable.

Guarantor

doc. Ing. Vojtěch Turek, Ph.D.

Department

Institute of Process Engineering (ÚPI)

Learning outcomes of the course unit

Students will understand the principles of mathematical modelling and simulations of complex systems. They will have general knowledge regarding computer-aided design, analysis, and optimisation.

Prerequisites

Graduate-level knowledge of mathematics, physics, and chemistry.

Co-requisites

Not applicable.

Planned learning activities and teaching methods

The course is taught through lectures focused on the topics required to finish the chosen doctoral projects. These include using appropriate software tools.

Assesment methods and criteria linked to learning outcomes

Each student will develop a model of a process or a simulation model related to their doctoral thesis.

Course curriculum

• Classification of mathematical modelling approaches
• Balancing of complex systems including multiphase, reactive, or transient processes
• Modelling of systems with mass and heat transfer, fluid flow, and chemical reactions
• Process simulations utilising the modular approach
• Process simulations utilising the equation approach
• Numerical methods for the solution of systems of equations
• Transient process simulations
• Optimisation techniques pro process systems
• Error propagation
• Regression analysis 

Work placements

Not applicable.

Aims

The main aim of the course is for students to be able to develop, implement, and apply models suitable for solving problems related to their doctoral theses.

Specification of controlled education, way of implementation and compensation for absences

Attendance at lectures is recommended. Absences are compensated by self-study of the literature specified by the lecturer or, if needed, by pre-arranged consultations at which the models developed by the students are discussed.

Recommended optional programme components

Not applicable.

Prerequisites and corequisites

Not applicable.

Basic literature

Felder, R. M.; Rousseau, R. W.; Bullard, L. G.: Elementary Principles of Chemical Processes, 4th ed., Wiley, Hoboken, NJ, USA (2015) (EN)
Chaves, I. D.; López, J. R.; Zapata, J. L.; Robayo, A. L.; Niño, G. R.: Process Analysis and Simulation in Chemical Engineering, Springer, Cham, Switzerland (2016) (EN)
Dahlquist, G; Björck, Å.: Numerical Methods in Scientific Computing, SIAM, Philadelphia, PA, USA (2008) (EN)

Recommended reading

Upreti, S. R.: Process Modeling and Simulation for Chemical Engineers: Theory and Practice, Wiley, Hoboken, NJ, USA (2017) (EN)
Puigjaner, L.; Heyen, H. (Eds.): Computer Aided Process and Product Engineering, Wiley-VCH Verlag GmbH, Weinheim, Germany, (2006) (EN)
Press, W. H.; Teukolsky, S. A.; Vetterling, W. T.; Flannery, B. P.: Numerical Recipes: The Art of Scientific Computing, 3rd ed., Cambridge University Press, Cambridge, UK (2007) (EN)

Classification of course in study plans

  • Programme D-ENE-K Doctoral, 1. year of study, winter semester, recommended
  • Programme D-ENE-P Doctoral, 1. year of study, winter semester, recommended

Type of course unit

 

Lecture

20 hours, optionally

Teacher / Lecturer

doc. Ing. Vojtěch Turek, Ph.D.

Syllabus

  • Classification of mathematical modelling approaches
  • Balancing of complex systems including multiphase, reactive, or transient processes
  • Modelling of systems with mass and heat transfer, fluid flow, and chemical reactions
  • Process simulations utilising the modular approach
  • Process simulations utilising the equation approach
  • Numerical methods for the solution of systems of equations
  • Transient process simulations
  • Optimisation techniques pro process systems
  • Error propagation