SubjectsSubjects(version: 877)
Course, academic year 2020/2021
Mathematical modeling of processes in chemical engineering - AM409013
Title: Mathematical modeling of processes in chemical engineering
Guaranteed by: Department of Chemical Engineering (409)
Actual: from 2019
Semester: winter
Points: winter s.:5
E-Credits: winter s.:5
Examination process: winter s.:
Hours per week, examination: winter s.:2/2 C+Ex [hours/week]
Capacity: unknown / unknown (unknown)
Min. number of students: unlimited
Language: English
Teaching methods: full-time
For type: Master's (post-Bachelor)
Guarantor: Kosek Juraj prof. Dr. Ing.
Grof Zdeněk Ing. Ph.D.
Interchangeability : M409013
Z//Is interchangeable with: M409013
Annotation -
Last update: Kubová Petra Ing. (12.04.2018)
The subject is oriented to develop practical skills of students in the formulation of model equations of various chemical-engineering problems, their arrangement in the form suitable for the solution by equation-oriented program and acquirement of practical skills with simulations. Program MATLAB is selected as the basic tool for the modeling and alternative freely-available programs working with the same syntax of model equations are mentioned.
Aim of the course -
Last update: Kubová Petra Ing. (12.04.2018)

Students will acquire theoretical and practical skills for:

1. Writing of model equations for a broad class of chemical-engineering problems.

2. Processing of model equations by various methods, for example, by the finite volume method.

3. Arrangement of equations in the form suitable for equation-oriented simulators.

4. Simulation and vizualization of obtained results.

Literature -
Last update: Jahoda Milan doc. Dr. Ing. (25.06.2019)

R: Bequette, B.W.: Process Dynamics. Modeling, Analysis, and Simulation, Prentice Hall PTR, N.J., 1998

A: Ingham, J., Dunn, I.J., et al.:Chemical Engineering Dynamics, VCH, Weinheim, 1994

A: Hangos, K.M., Cameron, I.T.: Process Modelling and Model Analysis, Academic Press, N.Y., 2001

Learning resources -
Last update: Kubová Petra Ing. (12.04.2018)

Examples of various problems arranged for MATLAB are provided at seminars.

Teaching methods -
Last update: Kubová Petra Ing. (12.04.2018)

Lectures two hours a week.

Practical seminars two hours a week.

Requirements to the exam -
Last update: Kubová Petra Ing. (12.04.2018)

Two written tests on computers during the course.

Oral exam with two questions.

Syllabus -
Last update: Kubová Petra Ing. (12.04.2018)

1. Model and modeling, classification of models.

2. Types of problems described by algebraic equations. Methods for phase-equilibria calculations.

3. Transformation of balance bilinear equation into linear equations. Sequential and global solution of balance problems.

4. Flash destillation with enthalpy balance for multi-component system.

5. Systems of ordinary differential equations. Case studies of reaction kinetics in the batch reactor.

6. Models with enthalpy balances. PID controller of temperature and its incorporation into model of stirred reactor.

7. Differential-algebraic equations and their classification. Index and consistent initial conditions.

8. Semi-batch reactor with non-constant density of liquid phase. Transformation into linear-implicit form.

9. Batch rectification of multicomponent mixture. Model equations and simplifying assumptions.

10. Finite Volume Method for spatially distributed problems. Application to reaction-diffusion problem in spherical particle.

11. Application of Finite Volume Method on the problem of meat can heating/sterlization and on heat exchanger with loop.

12. Axial dispersion and description of adsorption column by the Finite Volume Method and kinetics of mass transfer.

13. Boundary value problem for ordinary differential equations. Case problem of Stefan tube. Shooting method.

14. Convection-dispersion problems. Tubular reactor with axial dispersion. Differential approximation of "up-wind" type.

Registration requirements -
Last update: Kubová Petra Ing. (12.04.2018)

Chemical Engineering I (or equivalent)