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Chemistry and Chemical Technologies

Chemistry and Chemical Technologies

Doctoral programme, Faculty of Chemical Technology
CHYBI CHARAKTERISTIKA PROGRAMU

The study programme aims at the scientific education of graduates based on their quality theoretical knowledge and previous knowledge experience with independent solution of partial research problems in the field of applied chemistry and chemical technology. Students extend their theoretical knowledge of chemistry, physical chemistry and chemical engineering. This knowledge is further developed by means of independent professional work in the field of chemical technology, which enables the students to deepen theoretical knowledge and to gain experience with the application in implementation-specific technological projects. The scientific education itself also includes a complex research project related to chemical technology, which leads to obtaining the original published knowledge of a general nature. Students taking part in elective courses and implementing their own research projects specialise in inorganic and organic technology, homogeneous and heterogeneous catalysis, photocatalysis, heterogeneous non-catalysed reactions, membrane processes, technical electrochemistry, chemical specialties and hydrogen technologies. Graduates of the doctoral study are ready to find employment in the design and optimization of chemical technologies in leading positions in companies engaged in the production or processing of chemicals, in research and development institutions, in state administration and in companies linked to technical chemistry, e.g., civil engineering and automotive industry.

Careers

A graduate of the programme is fully qualified to occupy a leading position in the field of design, development and optimization of chemical technologies as well as for the management of chemical operations, distribution and application of chemical products on the market. The graduate is able to assess the impacts of these activities on the environment and human health. He/she is also fully prepared and qualified for independent research and development activities in the field of chemical technologies using the broad theoretical basis and his/her own experience in obtaining experimental and theoretical data, their critical evaluation and processing, and drawing conclusions of a general nature.

Programme Details

Language of instruction English
Standard length of study 4 years
Form of study Full time
Guarantor of study programme prof. Dr. Ing. Karel Bouzek
Programme Code AD101
Place of study Prague
Capacity 10 students
Number of available PhD theses 19

List of available PhD theses

Catalysts for alkaline energy conversion devices

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: Ing. Jaromír Hnát, Ph.D.

Annotation

Alkaline energy conversion technologies represent one of the promising ways to increase the utilization of the installed renewable sources of energy. The advantage of the alkaline technologies lies in the possibility to avoid the necessity of the utilization of the Pt-group metals as catalysts for electrode reactions. On the other hand, the intensity of these technologies is generally lower when compare to alternatives. This work focuses on the synthesis and optimization of the new catalysts, their testing using standard procedures and under the real conditions of the energy conversion devices.

Catalytic transformation of methane to higher value products

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: doc. Dr. Ing. Vlastimil Fíla

Annotation

The high attention on the processes of transformation of methane (C2, C3 hydrocarbons eventually) from natural gas or biogas to higher value products is paid at present time. The processes such as non-oxidative catalytic methane aromatization, selective oxidation to methanol or dimethyl ether are used. The suitable catalyst for chosen process will be developed. The effect of the reaction conditions, catalyst carrier and formation of active phase on catalyst on the methane conversion, catalyst stability and yield of products will be studied.

Development of the bipolar plates for the PEM type fuel cells

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: prof. Dr. Ing. Karel Bouzek

Annotation

Bipolar plates represent an important part of the fuel cell construction set-up. They contribute significantly also to the fuel cells stack production costs. This is because of corossion aggressiveness of their working environment and related material demands. Target of this project is to develop alternative approach based on utilisation of steel based plates surface modified by suitable composite. Inseparable part of the project is CFD modelling of the reactants and products flow in the flow field geometry targeted to optimise their structure.

Electrochemical methods for process water treatment

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: doc. Ing. Martin Paidar, Ph.D.

Annotation

Electrochemical methods are suitable for water treatment due its simplicity and high efficiency. Main disadvantage is usually high price. Therefore electrochemical methods are used in the case of water of high salinity or otherwise contaminated. This is not possible to be treated by biochemical methods. Application of individual method has to be evaluated with respect to the direct process water composition.

Electrochemical synthesis of hypervalent iodine compounds as highly selective organic oxidants

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie

Annotation

A highly selective oxidations of organic compounds belongs, especially in the case of highly added value products, among highly attractive processes. At present, such conversions are usually achieved using oxidation agents based on often toxic transition metals such as Cr(VI), Mn(VII), Ru(VI) či Os(VIII). An interesting „green“ alternatives to these oxidants represent benign hypervalent iodine based organic oxidation agents. The work will be focused on investigation of electrochemical behaviour of these compounds and their presursors. A motivation of the work is to use electrochemical oxidation for the production of hypervalent iodine oxidants allowing their application as industrial scale.

Investigation of water electrolysis with proton exchange membrane

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie

Annotation

Water electrolysis represents an important part of the hydrogen economy considered nowadays as a promising approach to the future securing of the human society with electrical energy. Industrial water electrolysis processes established today suffer from several disadvantages when considering its application in the field of energetics. It is mainly its low efficiency and flexibility. Therefore, this process is a subject of interest of numerous research laboratories around the globe. Electrode reaction kinetics, suitable polymer electrolytes and overall process design represent the main issues studied. Corrosion stability of the individual construction materials is also an issue.

Kinetics of catalytic decomposition of N2O on zeolite catalysts

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: doc. Dr. Ing. Vlastimil Fíla

Annotation

The topic of this work is the study of kinetics of N2O decomposition on zeolitic (MFI, FER) and titano-silicates catalysts involving Fe and other transition metals. The work will be focused on kinetic experiments in aiming to develop reliable kinetic model suitable for desing of industrial equipment.

Layered double hydroxides as sorbents for biologically active substances

Department: Department of Organic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: Ing. Iva Paterová, Ph.D.

Annotation

Double layered hydroxides, also known as hydrotalcite or anionic clays, are an important group of materials with a wide range of applications. They can be applied as catalysts, catalyst precursors or ion exchangers, in sorption and decontamination processes. They can also be used for the intercalation of various substances including drugs. The aim of this work will be to prepare these materials, modify their surface with silanol based compounds and to characterize them by suitable methods. The prepared materials will be used as support materials for the immobilization of selected active substances.

Mathematical modelling of chemical and membrane processes using universal simulation programs

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: doc. Dr. Ing. Vlastimil Fíla

Annotation

Universal simulation programs introduce a tool suitable for design of new and optimization of existing industrial technologies. In the frame of this work the static and dynamic models of selected advanced membrane and/or chemical technologies or their parts will be developed using universal simulation programs. By the help of them and computer experiment the behavior of these technologies will be studied. Verification of developed models by experimental data will be implemented. Aim of the work is the improvement of economic and ecological technological parameters. The universal simulation programs from Aspen Technology will be used preferentially.

Nanostructured/ composite materials based on TiO2 for photocatalytic processes in gaseous phase

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: prof. Dr. Ing. Josef Krýsa

Annotation

Air polution represents a significant problem which can be conveniently solved by an application of photocatalytic processes. Therefore the aim of the present thesis is the preparation of new photocatalytically active composite materials based on TiO2 and the determination of their adsorption and photocatalytic properties. Titanium dioxide nanotubes prepared by anodic oxidation show a larger active area (compared to planar samples), allowing more efficient removal of polutants from the gaseous phase. The influence of various modifications of TiO2 nanotubes and of operating parameters (flow, humidity and UV intensity) on photocatalytic efficiency will be investigated. The goal is to get the material having at the same time good adsorption properties and at the same time a high ability to remove unwanted volatile substances in the air. Part of the work will use the standard ISO tests for monitoring the kinetics of oxidation reactions (NOx, VOCs) on the surface of the prepared photocatalysts. The important part is the characterization of materials/coatings (XRD, SEM, BET, Raman spectroscopy) and further development of methods allowing the testing of functional properties of the prepared materials/coatings in air treatment.

Photoelectrochemical systems for conversion of solar light

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: prof. Dr. Ing. Josef Krýsa

Annotation

A photoelectric chemical system involving a photoanode, photocathode, membrane and suitable ox/red couple allows the conversion of solar energy into chemical energy. The theme of this thesis is the investigation of possible systems for solar energy conversion with a focus on suitable photoanode and photocathode materials and their combination with suitable electrolytes. Part of the work will be the preparation of selected photoanode or photocathode materials (e.g. Fe2O3, ZnO, WO3, BiVO4, CuO, CuFeO2, etc.) and investigation of their behaviour during long-term photoelectric polarization.
Different methods of preparation (aerosol pyrolysis, spray pyrolysis, etc. ) will be used and the resulting films will be characterised (XRD, GDS, UV-VIS, BET, SEM) and their photo-electrochemical properties (open circuit potential, photocurrent, IPCE) evaluated. The attention will be given to the influence of composition, doping, crystalline phase, layer thickness and porosity.

Photoelectrodes for pollutant removal and hydrogen generation from water using solar light

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: prof. Dr. Ing. Josef Krýsa

Annotation

Production of hydrogen as an alternative energy source/carrier is becoming recently very important and intensively studied process. One of the promising options is direct production of hydrogen from water via solar light. Very important process is also removal of persistent pollutants in waters by advanced oxidation processes, one of them is photo-electrochemical oxidation. The topic of the present thesis is the preparation of semiconductor photoanodes and photocathodes (eg. WO3, BiVO4, CuO, CuFeO2, atd.) for photo-electrochemical water splitting or photo-electrochemical removal of persistent pollutants. Different methods of preparation (aerosol pyrolysis, spray pyrolysis, etc. ) will be used and the resulting films will be characterised (XRD, GDS, UV-VIS, BET, SEM) and their photo-electrochemical properties (open circuit potential, photocurrent, IPCE) evaluated. The attention will be given to the influence of composition, crystalline phase, layer thickness and porosity. The best photoanode and photocathode layers will be applied in the tandem solar photo-electrochemical cell and its efficiency for water decomposition to hydrogen and oxygen by sunlight will be determined.

Polymer electrolytes for energy conversion devices

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: Ing. Jaromír Hnát, Ph.D.

Annotation

Polymer ion selective materials are well established in the many technologies including the environment protection, food industry and large scale production of the basic chemical substances. Energy conversion devices represent the recent but sharply growing field of the ion selective membrane utilization. The work is focused on the complex characterisation of the physio-chemical and electrochemical properties of the developmental ion selective polymer electrolytes.

Preparation and characterization of mixed matrix membranes for gas separation

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: doc. Dr. Ing. Vlastimil Fíla

Annotation

Gas membrane separation represents one of the perspective and energy saving alternative with respect to the present separation processes (PSA, TSA etc.). In the frame of this work the mixed matrix membranes, combining the perspective properties of the both, microporous and polymeric membranes, will be prepared and characterized. The microporous material e.g. ZIF-8, silicalite-1, ETS, FAU, TS-1, AFX, MOF will be used as filler and combined with polyimide matrix. The key issue of mixed matrix membranes preparation which needs to be solved is the adhesion and interface interactions of filler and polymer because of their effects on compactness and selectivity of membrane. The aim of this study is evaluation of different possibilities of microporous and polymer phase modifications with respect to the compactness of membranes and their selectivity and permeability in selected systems of hydrocarbons, CO2 and H2.

Preparation of electrospun nanofibrous carriers for deposition of catalyst nanoparticles and immobilization of living cells

Department: Department of Organic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: Ing. Karel Soukup, Ph.D.

Annotation

The aim of this Ph.D. thesis will be the synthesis, characterization, and chiral resolution of appropriate helicene derivatives for use in hybrid plasmonic nanostructures with a strong chiral response. Such systems serve in the detection of small chiral molecules for direct determination of their absolute configuration or ee% in optically active mixtures. Requirements and conditions:
• Master degree in organic chemistry or technology;
• systematic and creative approach to work;
• team work ability;
• employment contract at ICPF.

Rational design of oxides for anodic electrolytic reactions

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: doc.Ing. Petr Krtil, CSc.

Annotation

The work will focus systematically approach to description activity and selectivity of oxide materials in gas evolving anodic processes namely in oxygen and chlorine evolution. Primary attention will be paid to the behavior of modelf binary in the systems based on Ru-Ti-Me (Me= transition metal) identified as prospective materials in computational studies. General relationships between the local structure of the active sites on oxides and their activity in electrocatalytic processes will be formulated and subsequently used in formulation of novel class of anodic electrocalytst.

Self-cleaning and antibacterial coating based on TiO2 and ZnO

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: prof. Dr. Ing. Josef Krýsa

Annotation

The main scope of this work is preparation of photocatalytic active coatings/ paints based on TiO2 a ZnO on the appropriate substrate (ceramics, glass, metals, facades, hydraulic binders) by different methods. The important part of the work is films characterization (XRD, SEM, Raman spectroscopy) and development of methods for testing photoactivity and hydrophilic and antibacterial properties of prepared layers. Studied parameters will be the methods of precursor deposition (dip-coating, spraying) and the influence of the binder in the coating and the substrate.

Solvent effects in acid catalyzed reactions

Department: Department of Organic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie

Annotation

Acid-catalyzed reactions are of large importance in the production of fine chemicals. The influence of the type of acid catalyst, type of acid sites, temperature, and occasionally pressure on the reaction course is widely studied. Used solvent is often chosen based on preliminary experiments or on literary data. Recently, the trend showing the influence of the solvent on the reaction course is visible. Typically, the properties of the solvent such as basicity and polarity are included in the discussion. The aim of the work will be the study of the solvent's influence on the course of the chosen acid-catalyzed reaction. The influence of the solvent properties will be the goal. Possible synergy between solvent and catalyst from the point of view of selectivity or reaction rate will be evaluated. The used catalysts will be characterized by available methods (XRD,TPD pyridine, IR, UV-Vis, etc.). The interaction solvent-acid site-substrate will be discussed. For the evaluation also theoretically based calculation may be used.

Titanium oxides and titanates for advanced applications

Department: Department of Inorganic Technology, Faculty of Chemical Technology
Also available in programme: Chemie a chemické technologie
Theses supervisor: Ing. Jan Šubrt, CSc.

Annotation

Li-ion batteries are one of the most promising electrochemical power sources. Ti-based materials such as Li4Ti5O12, Li2Ti3O7, TiO2-B and H2Ti3O7, are considered as important anodes for Li-ion batteries due to their high safety and excellent cycling stability. Li-ion battery (LIB) technology (typically using carbon materials as the anode) faces serious challenges if it is to take over the hybrid electric vehicles and stationary power sources. Ti-based compounds, especially Li4Ti5O12 have been demonstrated as the most promising anode materials for large-sized LIBs since they exhibit excellent cycling reversibility and a high operating voltage to ensure improved safety. However, the rate capability of these Ti-based materials are relatively low because of a large polarization at high charge–discharge rates. To enhance its electrical conductivity, ion doping and surface modification, and ionic diffusivity by designing various nanosized materials were used. A new preparation method will be used based on the extraction of sulphate ions from the crystals of titanium sulphate hydrates and their replacement with hydroxyl groups in aqueous alkali solution. The method leads to nanostructured metatitanic acid or alkali titanates and is suitable also for metal doping the material.


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