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Modelling of Chemico-Technological Processes

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Course Unit Code617-3011/02
Number of ECTS Credits Allocated5 ECTS credits
Type of Course Unit *Compulsory
Level of Course Unit *Second Cycle
Year of Study *Second Year
Semester when the Course Unit is deliveredWinter Semester
Mode of DeliveryFace-to-face
Language of InstructionCzech
Prerequisites and Co-Requisites
PrerequisitiesCourse Unit CodeCourse Unit Title
617-2029Fundamentals of Process Engineering
617-3022Transport Phenomena
Name of Lecturer(s)Personal IDName
VEC05prof. Ing. Marek Večeř, Ph.D.
Summary
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.
Learning Outcomes of the Course Unit
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.
Course Contents
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 excercises:
1. Introduction to the user interface, creating balance schematics of processes, search folders.
2. Searching of physical properties of pure components, binary and ternary mixtures.
3. Basic balance calculations, the balance with by a chemical reaction, energy balances, production scheme cumene and cyclohexane.
4. Separation of a mixture of methanol-water, separation of the mixture of low molecular weight hydrocarbons, model RadFrac.
5. The stoichiometric reactor yield reactor, an equilibrium reactor, batch reactor, plug flow reactor, a continuous stirred tank reactor, comparison of models to calculate esterification.
6. Sensitivity analysis and design calculation in the production process, cumene and cyclohexane.
7. External calculations: calculation of pressure losses in the production process cumene, calculating the ratio reactants in the steam reformation of methane.
8. Temperature profiles exchangers, comparison with of calculation methods and models Heater HeatX.
9. Model of pressure regulation in the production of cumene, and cyclohexane. Manipulators and measuring nodes.
10. Continuous control work on semestral project and discussion of problems.
11. Physical properties of unconventional of solids calculation of dryer separating solid particles from the gas mixtures, coal pyrolysis.
12. A more complex processes, thermal dehydration of phthalic acid, the production of ammonia.
13. Dynamical analysis of cyclohexane the production process.
14. Presentation of projects.
Recommended or Required Reading
Required Reading:
Aspen Plus V10.0 User Guide, Aspen Tech, 2017.
Aspen Properties V10.0 User Guide, Aspen Tech, 2017.
VEČEŘ Marek. Modelování chemicko-technologických procesů v prostředí Aspen. E-learningová opora pro rok 2013-2014.
Recommended Reading:
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.
DITL, Pavel. Chemické reaktory. Vyd. 2. přeprac. Praha: Vydavatelství ČVUT, 2000. ISBN 80-01-02207-2.
ŠNITA, Dalimil. Chemické inženýrství I. Praha: Vydavatelství VŠCHT, 2005. ISBN 80-7080-589-7.
NEUŽIL, Lubomír a Vladimír MÍKA. Chemické inženýrství II. Praha: Vysoká škola chemicko-technologická [Praha], 1993. ISBN 80-7080-170-0.
HOLEČEK, Oldřich. Chemicko-inženýrské tabulky. Vyd. 2. Praha: Vysoká škola chemicko-technologická [Praha], 2001. ISBN 80-7080-444-0.
Planned learning activities and teaching methods
Lectures, Tutorials
Assesment methods and criteria
Task TitleTask TypeMaximum Number of Points
(Act. for Subtasks)
Minimum Number of Points for Task Passing
Graded creditGraded credit100 51