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Course, academic year 2023/2024
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Fundamental of Catalysis - MC260P137
Title: Základy katalýzy
Czech title: Základy katalýzy
Guaranteed by: Department of Physical and Macromolecular Chemistry (31-260)
Faculty: Faculty of Science
Actual: from 2022
Semester: winter
E-Credits: 3
Examination process: winter s.:combined
Hours per week, examination: winter s.:2/1, C+Ex [HT]
Capacity: unlimited
Min. number of students: unlimited
4EU+: no
Virtual mobility / capacity: no
State of the course: taught
Language: Czech
Note: enabled for web enrollment
Guarantor: prof. Ing. Jiří Čejka, DrSc.
Teacher(s): prof. Ing. Jiří Čejka, DrSc.
Mgr. Pavla Eliášová, Ph.D.
Ing. Jan Přech, Ph.D.
Annotation -
Last update: Ing. Jan Přech, Ph.D. (14.10.2020)
Catalysis represents is essential in production of intemediates as well as final products of chemical industry. 85-90% of industrial processes are designed with involvement of some catalyst. The aim of this course is to introduce fundamental principles of catalysis. The course will focus on understanding the role of catalysts and their behavior in catalytic reactions, reaction mechanisms, and application of the most important experimental techniques in catalyst characterization and evaluation in catalytic reactions. The lectures (2 hours per week in average) will be accompanied by exercises or experimental practices (1 hour per week in average).
General knowledge of inorganic, organic and physical chemistry is expected. The course if followed by Catalysis is Practice course.

During the COVID restrictions, the lectures will be held online via Zoom application and seminars will use google classroom/google meet environment.
Literature -
Last update: doc. RNDr. Iva Zusková, CSc. (26.02.2020)

Contemporary catalysis: Science, Technology, and Applications, Royal Society of Chemistry, London 2017

 

Industrial Catalysis: chemistry and mechanism, Imperial College Press, London, 2016

 

Catalysis - An Integrated Approach to Homogeneous, Heterogeneous and Industrial Catalysis, Elsevier, Amsterdam 2000.

 

Spectroscopy in Catalysis - J.H. Niemasnverdriet, VCH Berlin 1995.

Requirements to the exam -
Last update: doc. RNDr. Iva Zusková, CSc. (26.02.2020)

C: for solving tasks from seminars; Ex: multiple choice test in basic knowledge, short discussion on selected topic. 

Syllabus -
Last update: doc. RNDr. Iva Zusková, CSc. (26.02.2020)

1)      Introduction to catalysis

General introduction and description of catalysis:

Aims and scope of the course.

Brief history of catalysis – Noble Prize winners in catalysis.

Definition of a catalysed reaction

Basic phenomena in catalytic reactions (physical and chemical steps); genegal mechanism of a catalysed reaction;7 steps in heterogeneously catalysed reaction.

Thermodynamic aspect of catalysis – a catalyst will never influence a chemical equilibrium and why. Temperature effects in catalysis.

Basic terms in catalysis: activation energy, Arrhenius equation, reaction coordinate, kvazi-stationary state assumtion, conversion, selectivity, TOF, TON, initial reaction rate, stability, environmental factor; and where these terms will apply.

Definition and examples of homogeneous, heterogeneous, enzymatic, photocatalysis and electrocatalysis.

Current challenges in catalysis; sustainable and green energy and technology transition

2)      Kinetics and thermodynamics of catalysed reactions

Rate determining step, kinetic vs. diffusion regime of a reaction, general conditions needed to achieve a kinetic regime.

Diffusion in a catalyst; pore definition and classification.

Role of adsorption in a catalytic reaction; physisorption, chemisorption, strenght of adsoprtion and its meassurement, isosteric heat of adsorption; adsorption site and active site, adsorption isotherms (Henry, Langmuir, Freudlich, BET).

Basic mechamisms of heterogeneously catalysed reactions (Langmuir-Hinshelwood, Rideal-Eley, Mars-van Krevelen).

Langmuir-Hinshelwood – examples of kinetic equations derivation; time dependence of the product composition for different types of reactions.

Thiele modulus and catalyst usage efficiency (effectiveness factor).

3)      Heterogeneous catalysis

Types of heterogeneous catalysts; catalyst, support, binder, activator

Nano – micro – macro – scale of a real catalyst

Active sites in heterogeneous catalysts

Zeolites: structure (primary and secondary  building units, channel system, atlas of zeolites), synthesis (hydrothermal synthesis, template, mineralization agents), active sites (chemical composition of zeolites, acid sites (Bronsted vs. Lewis), ion-exchanging properties, redox centres), application examples.

Oxidic and sulphidic catalysts

Raney metals

Supported metal catalysts – why do we need a support?

Bifunctional catalysts – metal support synergy; metals in zeolites, metal nanoparticles encapsulation, acidic+redox catalysts.

4)      Homogenous catalysis (organocatalysis)

General approach; TON and catalyst lifetime

Selected types of homogeneous catalysts – acids, organometallic complexes, chiral complexes

Application examples and discussing particular catalyst structure

Asymmetric hydrogenation, BINAP and role of ligands in OM complexes

Hydroformylation

Ziegler-Natta catalysts, propylene polymeration  

Heterogenization of homogeneous catalysts: functionalization of support; modification of aluminosilicate support (e.g. metallocenes for polymeration); biphase catalysis

5)      Enzymatic catalysis, photocatalysis, electrocatalysis


General approaches, TON and lifetime in enzymatic catalysis; general mechanism of enzymatic reaction; Michaelis-Menton kinetics

Practical use of enzymes: enzyme catalysed sugar isometrization; enzyme encapsulation

Inhibition of enzymatic reactions

 

6)      Catalyst preparation and characterization

Lab scale – pilot plant – industrial synthesis

Resources: lab vs. industry

Catalyst characterisation:

Powder X-ray diffraction

Electron microscopy techniques

MAS NMR

EXAFS/XANES

Infrared spectroscopy

Chemical analysis

Adsorption techniques

7)      Catalytic experiment and related analytical techniques

Aim of a catalytic test

Research vs. industrial catalyst

Lab scale catalytic experiment: apparatus and methodology; reactors, saturators, linear pumps and other dosing systems

Basic types of catalytic reactors, size of a catalyst bed, particle size

Test on kinetic vs. diffusion regime

Catalyst dezactivation

Analytical techniques for catalytic reactions

Chromatography

Infrared spectroscopy

Mass spektrometry

In-situ a Operando techniques

8)      Invited talk on selected topic given by an expert in the field

 
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