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The Numerical Tools for CHemical Engineers

Type of study Follow-up Master
Language of instruction Czech
Code 651-3018/01
Abbreviation NNCHI
Course title The Numerical Tools for CHemical Engineers
Credits 4
Coordinating department Department of Chemistry and Physico-Chemical Processes
Course coordinator Ing. Petr Stavárek, Ph.D.

Subject syllabus

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).

Literature

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.

Advised literature

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.