SubjectsSubjects(version: 949)
Course, academic year 2023/2024
Modeling of Chemical Processes - M107004
Title: Modelování chemických procesů
Guaranteed by: Department of Glass and Ceramics (107)
Faculty: Faculty of Chemical Technology
Actual: from 2020
Semester: winter
Points: winter s.:3
E-Credits: winter s.:3
Examination process: winter s.:
Hours per week, examination: winter s.:1/2, MC [HT]
Extent per academic year: 2 [hours]
Capacity: unlimited / unlimited (unknown)
Min. number of students: unlimited
Language: Czech
Teaching methods: full-time
Teaching methods: full-time
For type: Master's (post-Bachelor)
Additional information: http://Výuka probíhá pouze v zimním semestru
Note: course can be enrolled in outside the study plan
enabled for web enrollment
Guarantor: Havlík Míka Martin doc. Dr. Ing.
Interchangeability : N107009
Annotation -
Last update: Fialová Jana (04.01.2018)
The subject is focused on the development of the mathematical models of important physical and chemical processes occurring in materials. The models are developed using the approach based on experimental design in combination with regression analysis. Emphasis is put on detailed statistical analysis of experimental data and the developed models. The models are used for the optimization of the composition of materials with target properties. By applying numerical methods, physic-chemical processes are solved that are described by ordinary and partial differential equations.
Aim of the course -
Last update: Fialová Jana (04.01.2018)

Students will be able to:

Plan experimental design and data analysis

Develop mathematical models for materials’ properties and optimizing materials’ composition

Numerically solve ordinary and partial differential equations

Literature -
Last update: Fialová Jana (04.01.2018)

R:Meloun M., Militký J.: Statistická analýza experimentálních dat, Academia, 2004, ISBN: 8020012540

R:Urbánek T., Škárka J.: Microsoft Excel 97 pro vědce a inženýry, Computer press, 1998, ISBN: 8072260995

A:Cornell J.A.: Experiments With Mixtures, John Wiley, 1981, ISBN: 0471079162

A:Jarník V.: Diferenciální počet (I), Academia, 1974, ISBN: 2110174

A:Jarník V.: Integrální počet (I), Academia, 1974, ISBN: 2110874

Learning resources -
Last update: Fialová Jana (04.01.2018)

Microsoft Excel,

Teaching methods -
Last update: Fialová Jana (04.01.2018)

The subject teaching method is based on solving of practical material problems specially selected for particular topics. The problems are focused on the real development of new materials with advanced properties. In seminars, we broadly discus the solution of these problems and their modifications to deeper understand the presented topics.

Syllabus -
Last update: Fialová Jana (04.01.2018)

1. Overview of mathematical software for advanced applications in chemical engineering.

2. Experimental design.

3. Statistical analysis of data.

4. Regression analysis and fitting of models.

5. Statistical analysis of models, standard error, R square, t- and F-statistics, testing of hypothesis.

6. Calculation of materials’ properties from chemical composition. Composition optimization.

7. Numerical methods of derivation and integration.

8. Numerical solving of ordinary differential equations with initial value.

9. Numerical solving of ordinary differential equations - boundary problem.

10.Numerical solving of partial differential equations by finite differences method.

11.Numerical solving of heat transfer in glass and ceramics.

12.Numerical solving of mass transfer in glass and ceramics.

13.Numerical solving of wave function.

14.Individual project.

Registration requirements -
Last update: Fialová Jana (04.01.2018)

Mathematics I, Physics I

Course completion requirements - Czech
Last update: Havlík Míka Martin doc. Dr. Ing. (16.02.2018)

Úspěšné obhájení individuálního projektu.

Teaching methods
Activity Credits Hours
Obhajoba individuálního projektu 0.1 3
Účast na přednáškách 0.5 14
Práce na individuálním projektu 1.4 39
Účast na seminářích 1 28
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