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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 22
Recommended Curriculum Apply

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.

Composite materials/ coatings 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. 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.

Effect of two-dimensional support on catalytic activity of supported catalysts

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

Annotation

Two-dimensional (2D) materials exhibit increased catalytic activity in 2D material supported metallic nanoparticles in comparison with their bulk counterparts. The increase in activity attributes to specific 2D support-nanoparticle interactions. The project is focused on an investigation of the specific interactions for graphene, as reference support, and ‘materials beyond graphene’ based on phosphorus, arsenic, antimony, and bismuth. To suggest a mechanism of the specific interactions, we will investigate a spatial-temporally resolved catalytic activity of supported catalyst prepared by lithography and chemical routes. By tuning of spatial distribution and size of the active sites, we will identify individual contributions, including an exclusive effect of the support, causing the increase in catalytic activity. The suggested mechanism, also verified by standard methods of catalytic testing, will bring a new insight into the understanding of nanoparticles-2D support interaction and open new possibilities for the rational design of 2D material supported metal catalysts.

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.

High temperature water electrolysis

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

High temperature water electrolysis represents a modern technology closely related to the optimization of operational conditions of the traditional as well as novel high capacity power sources used nowadays to the stabilization of the electricity distribution grid. Stabilization requirement is caused by the strongly increasing capacity of the unstable renewable energy sources connected to the distribution grid.

Highly efficient electrochemical CO2 reduction - inexhaustable source of simple organic molecules

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

An electrochemical reduction of CO2 in "zero-gap" arrangement can be operated as a highly efficient process which in combination with renewable energy sources of represents an inexhaustible source of simple organic molecules such as formic acid, formaldehyde or methanol. These compounds represent basis of number of established technologies. Within the work, CO2 reduction will be investigated as well as individual components (electrodes, catalyst, membrane) of the electrolyser optimisation and its operation.

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 intesively studied process. One of the promising options is direct production of hydrogen from water via solar light. The topic of the present thesis is the preparation of semiconductor photoanodes and photocathodes for photo-electrochemical water splitting. 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.

Inactivation of microorganisms and removal of persistent pollutants in waters by advanced oxidation processes

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

Systems UV/hydrogen peroxide (either continuously added or generated in situ electrochemically) and UV/photocatalyst will be compared. Several gram positive (Escherichia coli, Pseudomonas aeruginosa) and gram negative (Enterococcus faecalis, Staphylococcus aureus) microorganisms will be studied either separately or in the mixtures. All are commonly found in the waters and furthermore model well microorganisms (Pseudomonas …..and Staphylococcus……..) which are i) present often in the swimming pool waters ii) are more resistant to disinfectants or iii) create easily biofilms. Conditions of both processes will be optimised to achieve the highest efficiency. Processes will be used also for the removal of the model water pollutants. As a next step optimised systems will be applied for real waters.

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.

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.

Mathematical modelling of the electrochemical systems

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

Annotation

Mathematical modeling represents an extraordinary powerful tool for deeper understanding of the electrochemical units function and their subsequent optimization. Within the framework of this project the attention will focus on the mathematical description of the local potential and current density distribution. Subsequently the problem of the mass transfer in an electric field will be studied. The models formulated will be implemented to simulate systems with a practical impact.

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

Annotation

The main aim of the proposed PhD project is focused on assessment of the specific properties of the novel polymeric nanofibrous materials prepared by electrospinning technique in applications as effective catalyst supports and promising scaffolds for living cells. Other targets of this project will be specifically addressed to the optimization of the electrospinning process parameters with respect to properties of the prepared supports, deposition of the catalytically active centers or living cells. Additionally, assessment of the effect of support microstructure on the phenomenological kinetics of model reactions and adhesion of the cells will be performed as well. Studied model reactions will involve both reaction in gas-phase (the total oxidation of volatile organic compounds) and liquid-phase (selective hydrogenation of organic unsaturated compounds).

Research and optimization of components of the PEM type fuel cell stack

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

With a rapid development of advanced catalysts and construction materials an important question arises. It concerns impact of these parameters on fuel cells operational parameters for various construction arrangements. The target of this study is to optimise construction and materials of the bipolar plates for fuel cells stacks. Two different types of catalysts will be used. The results obtained will be tested by means of laboratory scale fuel cell stack of size of hundreds of watts. Applicability of the product in a small mobile unit powered by the stack will be tested.

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.

Study of the degradation processes in the mid-temperature PEM type fuel cells

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

Annotation

An attention of the numerous laboratories around a globe is focused on the issue of the PEM type fuel cells operational temperature increase above 100 ºC. The globaly accepted approach to solve this problem consists in application of basic polymers impregnated with phosphoric acid as an electrolyte and carbon supported Pt nanoparticles as an electrolyte. The main obstacle of this approach represents corrosion aggressivenes of the phosphoric acid at the fuel cell operational conditions. The closer understanding of these processes represents an important condition of further improvement of this technology and its future practical application.

Supercritical solvent impregnation of natural extracts in polymers

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

Annotation

Active substances are incorporated into polymers by various impregnation techniques. The disadvantages of conventional impregnation methods, such as low diffusivity, long contact time, high solvent and additive consumption, or high operating temperature, can be overcome by using supercritical CO2 (scCO2) as a solvent. In addition to being environmentally friendly, it easily penetrates various matrices due to its high diffusivity, low viscosity and near zero surface tension. Another advantage is that CO2 is gaseous at room temperature and pressure which provides solvent-free polymeric matrices. Supercritical impregnation with carbon dioxide as the solvent will be used to incorporate the health-promoting natural substances in the polymeric matrix. The influence of operational conditions (pressure, temperature, extract: CO2 mass ratio, and impregnation time) on impregnation efficiency will be tested.

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.

Water electrolysis as a hydrogen source for the energetics

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

Water electrolysis represents an important part of the hydrogen economy considered nowadays as a promissing 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 arround 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.


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