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The Numerical Tools for CHemical Engineers

* Exchange students do not have to consider this information when selecting suitable courses for an exchange stay.

Course Unit Code619-3018/01
Number of ECTS Credits Allocated4 ECTS credits
Type of Course Unit *Compulsory
Level of Course Unit *Second Cycle
Year of Study *First Year
Semester when the Course Unit is deliveredSummer Semester
Mode of DeliveryFace-to-face
Language of InstructionCzech
Prerequisites and Co-Requisites Course succeeds to compulsory courses of previous semester
Name of Lecturer(s)Personal IDName
LES051Ing. Pavel Leštinský, Ph.D.
Summary
The subject of Numerical tools for chemical engineers is designed for students as a computational laboratory. Students will use commercial software for numerical simulation of fluid flow, heat and mass transfer. Students will also solve examples that are chosen from the real engineering practice.
Learning Outcomes of the Course Unit
Students will acquire the basic knowledge of numerical modelling, because numerical simulation is nowadays commonly used by engineers in various fields of industry. Students will be able to create physical model, to treat calculated data and interpret results, from which they will can make general conclusions to solve the technological problem.
Course Contents
1. Introduction to the numerical modelling, history of numerical tools,
dividing of software by the type of calculation (FEM, FVM, etc.).

Calculation in the MATLAB:
2. Fundamental orientation in used guide interface, the material balance
solved by matrix.
3. Calculation of the flue gas temperature in mixer from enthalpy balance by
iteration
4. Calculation of mass transfer in the absorption column by numerical
integration of ODE.

Calculation in the COMSOL Multiphysics:
5. Fundamental orientation in the user guide interface (drawing geometry,
meshing, choice of suitable physical model, boundary and additional
conditions, type of solver – stationary and transient) and post-processing.
6. Basic simulation of stationary and nonstationary heat and mass transfer
(comparison of analytical and numerical solutions).
7. Hydrodynamics simulation (laminar and turbulent flow).
8. Hydrodynamics simulation (creeping flow around solid body).
9. Multiphysics simulation of mass transfer and hydrodynamics (mixing).
10. Multiphysics simulation of mass transfer and hydrodynamics (RTD).
11. Multiphysics simulation of heat transfer and hydrodynamics (convection)
12. Multiphysics simulation of heat transfer and hydrodynamics (heat
exchanger).
13. Multiphysics simulation of heat and mass transfer and hydrodynamics
(chemical reactor).
Recommended or Required Reading
Required Reading:
MATLAB help, https://uk.mathworks.com/help/
COMSOL Documentation, COMSOL Multiphysics User’s Guide, https://www.comsol.com/

FINLAYSON, Bruce A. Introduction to chemical engineering computing. Hoboken: Wiley, c2006. ISBN 0-471-74062-4.

KARBAN, Pavel. Výpočty a simulace v programech Matlab a Simulink. Brno: Computer Press, 2006. ISBN 80-251-1301-9.

KOZUBKOVÁ, Milada, Tomáš BLEJCHAŘ a Marian BOJKO. Modelování přenosu tepla, hmoty a hybnosti: učební text. Ostrava: VŠB - Technická univerzita Ostrava, 2011. ISBN 978-80-248-2491-8.

MICHALEK, Karel. Modelování a vizualizace metalurgických procesů: studijní opora. Ostrava: Vysoká škola báňská - Technická univerzita Ostrava, Fakulta metalurgie a materiálového inženýrství, 2014. ISBN 978-80-248-3582-2.

FINLAYSON, Bruce A. Introduction to chemical engineering computing. Hoboken: Wiley, c2006. ISBN 0-471-74062-4.
Recommended Reading:
PRYOR, Roger W. Multiphysics modeling using COMSOL: a first principles approach [CD-ROM]. Boston: Jones & Bartlett Publishers, c2011. ISBN 978-0-7637-7999-3.

ZIMMERMAN, William B. J. Multiphysics modelling with finite element methods. New Jersey: World Scientific, 2006. ISBN 981-256-843-3.
ŠESTÁK, Jiří a František RIEGER. Přenos hybnosti, tepla a hmoty. 3. vyd. Praha: Vydavatelství ČVUT, 2005dotisk. ISBN 80-01-02933-6.

BIRD, R. Byron, Warren E. STEWART a Edwin N. LIGHTFOOT. Přenosové jevy: sdílení hybnosti, energie a hmoty. Přeložil Štefan ŠALAMON, přeložil Vladimír MÍKA. Praha: Academia, 1968.

PRYOR, Roger W. Multiphysics modeling using COMSOL: a first principles approach [CD-ROM]. Boston: Jones & Bartlett Publishers, c2011. ISBN 978-0-7637-7999-3.
Planned learning activities and teaching methods
Individual consultations, Tutorials, Project work, Other activities
Assesment methods and criteria
Task TitleTask TypeMaximum Number of Points
(Act. for Subtasks)
Minimum Number of Points for Task Passing
Graded creditGraded credit100 51