617-3011/01 – Modelling of Chemico-Technological Processes (MCHTP)

Gurantor departmentDepartment of ChemistryCredits2
Subject guarantordoc. Ing. Marek Večeř, Ph.D.Subject version guarantordoc. Ing. Marek Večeř, Ph.D.
Study levelundergraduate or graduateRequirementOptional
Study languageCzech
Year of introduction2016/2017Year of cancellation2020/2021
Intended for the facultiesUSPIntended for study typesFollow-up Master
Instruction secured by
LoginNameTuitorTeacher giving lectures
OBA79 prof. Ing. Lucie Obalová, Ph.D.
VEC05 doc. Ing. Marek Večeř, Ph.D.
Extent of instruction for forms of study
Form of studyWay of compl.Extent
Full-time Graded credit 2+3

Subject aims expressed by acquired skills and competences

Objectives of subject: - application of basic principles of physical chemistry, process engineering and reaction engineering on to modeling of technological problems in the frame of Aspen Engineering Suite, - clarify basic concepts of operation and application of individual models involved unit operations involved, - comments of complex problems related to diffusion separation processes and chemical reactors engineering, - introduce online process modeling. Acquired knowledge: - The ability to recognize technological problem and propose a strategy for its solution, - Ability to characterize the chemical reaction conditions and to choose the appropriate type of reactor for their implementation, - The ability to choose the appropriate method for calculating the of physical properties the ingredients involved on the basis of knowledge their chemical nature. Acquired skills: - ability to design the design parameters of the devices, - ability to carry out simulation and optimization a calculation on the existing equipment with respect to variable parameters input parameters, - ability of online monitoring of separate of unit operations or processes of simple, - ability to apply theoretical knowledge on more complicated technological processes.

Teaching methods



Aims of the course are following: 1. to give systematic overview of computer aided methods for processes and modeling in chemical technology. 2. to allow practical application in the field of software Aspen Engineering Suite. Course is referring to Process engineering, Unit operation, and Physical chemistry courses. In the frame of the course general problems of heat, momentum and mass transfer will be located to realistic unit operation and solved using sophisticated modeling software. Graduate will be able to orient himself in processes simulation field; will be able to work with relatively complicated software; will be able to treat simple technological processes and provide optimization and parametric study independently.

Compulsory literature:

Aspen Plus V10.0 User Guide, Aspen Tech, 2017. Aspen Properties V10.0 User Guide, Aspen Tech, 2017.

Recommended literature:

FOGLER, H. Scott. Elements of chemical reaction engineering [CD-ROM]. 4th ed. Upper Saddle River: Prentice Hall, c2006. ISBN 0-13-047394-4. CUTLIP, Michael B. a Mordechai SHACHAM. Problem solving in chemical and biochemical engineering with POLYMATH, Excel, and MATLAB. 2nd ed. Upper Saddle River: Prentice Hall, 2007. ISBN 978-0-13-148204-3. BELFIORE, Laurence A. Transport phenomena for chemical reactor design. New York: J. Wiley, 2003. ISBN 0-471-20275-4. JOHNSTONE, Robert Edgeworth a Meredith Wooldridge THRING. Pilot plants, models, and scale-up methods in chemical engineering. New York: McGraw-Hill, 1957.

Way of continuous check of knowledge in the course of semester


Other requirements

Elaboration and presentation of the semester project.


Subject codeAbbreviationTitleRequirement
617-2029 ZPI Fundamentals of Process Engineering Recommended
617-3022 PJ Transport Phenomena Compulsory


Subject has no co-requisities.

Subject syllabus:

Lectures: 1. Introduction to process modeling. History, model structure, available commercial software. 2. Aspen Plus – user interface, basic inputs, library of unit operation models 3. Physical properties of involved components, thermodynamic models, basic property analysis of individual compounds. 4. Diffusion separation processes, model RadFrac. 5. Chemical reactors, overview of available models, application example. 6. Sensitivity analysis, design and simulation calculation. 7. External calculation using Fortran or MS Excel. 8. Heat exchangers, design and simulation calculation. 9. Pressure changers, Compressors, Pumps, pipelines. 10. Models of manipulators. 11. Solid handling models, separators, filters, dryers, etc. 12. User defined functions, hierarchy, complex approach to the process modeling. 13. Real time modeling and optimization, Aspen on-line. 14. Course recapitulation. Practical exercises: 1. Introduction to Aspen Plus, user interface, PFD (Process Flow Diagrams) diagrams, data exchange and handling. 2. Physical properties of pure components, properties of binary and ternary mixtures. 3. Basic mass balance calculations, balance with a chemical reactions, energy balances, PFD of Cumene and Cyclohexane technology. 4. Methanol-Water separation process, low molecular weight hydrocarbons separation processes, model RadFrac. 5. Chemical reaction modeling, Stoichiometric reactor, Yield reactor, Equilibrium reactor, Batch reactor, PFR (plug flow reactor), CSTR (continuous stirred tank reactor), recapitulation of model advances on esterification case study. 6. Sensitivity Analysis and Design Specification procedures, application to the Cumene and Cyclohexane technology. 7. UDF (user defined function), MS Excel link to Aspen Plus, Fortran code procedure, application to the pressure drop calculation in the Cumene technology, Calculation of optimal reactant ratio for steam reforming process. 8. Heat exchangers, temperature profiles, models Heater and HeatX. 9. Pressure changers in Cumene technology, Stream manipulators and measurement points. 10. Semestral project checking and discussion of available problems. 11. Nonconventional components, Solid components, Pseudocomponents, Physical properties and calculation with, dryer design, de-dusting of air, process of coal pyrolysis. 12. Complex processes, thermal dehydration of phthalic acid, the production of ammonia. 13. Dynamic analysis of cyclohexane technology. 14. Final presentation of the projects.

Conditions for subject completion

Full-time form (validity from: 2016/2017 Winter semester, validity until: 2020/2021 Summer semester)
Task nameType of taskMax. number of points
(act. for subtasks)
Min. number of points
Graded credit Graded credit 100  51
Mandatory attendence parzicipation:

Show history

Occurrence in study plans

Academic yearProgrammeField of studySpec.ZaměřeníFormStudy language Tut. centreYearWSType of duty
2018/2019 (N3969) Technology of Processes in Energetics (3907T013) Technology of Processes in Energetics P Czech Ostrava 2 Optional study plan
2017/2018 (N3969) Technology of Processes in Energetics (3907T013) Technology of Processes in Energetics P Czech Ostrava 2 Optional study plan
2016/2017 (N3969) Technology of Processes in Energetics (3907T013) Technology of Processes in Energetics P Czech Ostrava 2 Optional study plan

Occurrence in special blocks

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