651-2040/01 – Technological Software (TSW)
| Gurantor department | Department of Chemistry and Physico-Chemical Processes | Credits | 4 |
| Subject guarantor | Ing. Petr Stavárek, Ph.D. | Subject version guarantor | Ing. Petr Stavárek, Ph.D. |
| Study level | undergraduate or graduate | Requirement | Compulsory |
| Year | 2 | Semester | winter |
| | Study language | Czech |
| Year of introduction | 2022/2023 | Year of cancellation | |
| Intended for the faculties | FMT | Intended for study types | Bachelor |
Subject aims expressed by acquired skills and competences
The objective of the course: The aim of the course is to acquaint students with programs that can be effectively used in solving operational-technological problems and to introduce them to their main advantages on illustrative examples, which correspond to their current knowledge.
Learning outcomes: Utilize a variety of program options to automate the solution of technical challenges.
Learning outcomes: Relevant assessment of the possibilities of using available programming environments and the ability to estimate the relevance of the results achieved.
Teaching methods
Lectures
Tutorials
Summary
Předmět ukazuje, jak se dají složitější procesy v průmyslu i v přírodě kvantitativně popsat a jak využít programové prostředky pro řešení otázek, které vyvstávají při modelovém popisu těchto dějů. Využity budou následující programy, které mohou studenti potkat v technické praxi, Aspen Engineering Suite, Comsol Multiphysics, Matlab, ChemSketch, PubChem. Všechny programy budou nejprve vysvětleny v kontextu jejich obecného využití a uživatelského rozhraní a poté budou použity pro výpočet konkrétních modelových úloh s úzkou vazbou na teorie probírané v jiných předmětech a aplikace vyskytující se ve spolupracujících firmách.
Compulsory literature:
https://www.acdlabs.com/download/docs/chemsk_t12.pdf (ChemSketch)
https://pubchemdocs.ncbi.nlm.nih.gov/about (PubChem)
Recommended literature:
Way of continuous check of knowledge in the course of semester
Classified credit.
E-learning
Other requirements
Two semestral projects will be elaborated.
Prerequisities
Subject has no prerequisities.
Co-requisities
Subject has no co-requisities.
Subject syllabus:
1. Application of non-traditional programs in technical practice, Aspen Engineering Suite, Comsol Multiphysics, Matlab, ChemSketch, PubChem.
2. Aspen, Introduction to the user environment, creation of process flow diagrams, component search.
3. Searching for physical properties of pure components, binary and ternary mixtures.
4. Basic balance calculations, balance with chemical reaction, energy balance, technological production scheme.
5. Comsol Multiphysics, Introduction to the user interface.
6. Geometry creation, symmetry utilization, mesh creation, boundary conditions, solution possibilities, visualization of results.
7. Creating more complex geometry, numerical calculation of heat conduction and mass sharing, flow.
8. Matlab, Introduction to the user interface.
9. Syntax, basic commands, work with vectors and matrices, data types, basic calculations, graphs.
10. Types of cycles and their creation, solving equations and their systems, creating their own function.
11. ChemSketch, PubChem. Introduction to the user interface.
12. Recording of complex chemical reactions, aromatic, branched and heterocyclic hydrocarbons.
Conditions for subject completion
Occurrence in study plans
Occurrence in special blocks
Assessment of instruction
Předmět neobsahuje žádné hodnocení.