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Chemistry (FCE)
Doctoral Programme,
Faculty of Chemical Engineering
The aim of the doctoral study programme Chemistry is to educate highly qualified specialists with theoretical knowledge and practical skills in analytical and physical chemistry. Graduates of this programme will be prepared for independent research career at academic institutions, universities or in practice in the field of drug analytical chemistry, forensic analytical chemistry, quality assurance and quality control in analytical chemistry, analytical data management, technical physical chemistry, thermodynamics, quantum chemistry, chemical physics, membrane engineering, etc. CareersA graduate of the programme will have theoretically and practically mastered experimental techniques and instrumentations of analytical and physical chemistry corresponding to his/her specialization and qualified knowledge of principles and possibilities of its use. Furthermore, the mastered methodology of interdisciplinary scientific work, modern laboratory and computational techniques, advanced methods of applied mathematics and statistics together with language- and soft-skills will ensure to the graduate the appropriate personnel growth, increased society prestige and better position on the labour market. Programme Details
Ph.D. topics for study year 2026/27Biodegradovatelné polymerní systémy na bázi termoplastifikovaného škrobu
AnnotationBiodegradable polymer systems show numerous technical and biomedical applications. Our team has long-term experience with a reproducible preparation of thermoplastic starch (TPS). TPS is cheap, biocompatible and completely biodegradable polymer. In this project, we aim at the development of TPS/PCL/MD/SiO2/Ag systems, where PCL = polycaprolactone (another biopolymer, added for better mechanical performance), MD = maltodextrin (bio-oligomer, acting as a lubricant that decreases processing temperature), SiO2 = silica nanoparticles (inorganic filler for higher stiffness and barrier properties), and Ag = silver nanoparticles (antibacterial properties). The multicomponent TPS/PCL/MD/SiO2/Ag systems could serve as a bio-material with tunable properties for numerous applications (such as antimicrobial packaging or mulching technology). The project comprises preparation of the above systems (by melt mixing), optimization of their composition and morphology (targeted modification of preparation protocols), characterization of their morphology (electron microscopy, vibrational spectroscopy, XRD), and properties (macro- and micromechanical properties), and participation in biodegradability testing (in collaboration with the University of Zagreb, Croatia). Biodegradabilní polyuretanové materiály s prodlouženou životností: od syntézy k environmentálním aplikacím
AnnotationPlně alifatické biodegradabilní polyuretany (PUR), nacházejí uplatnění především v environmentálních technologiích jako jsou biofiltry, sorpční materiály, nosiče mikrobiální biomasy v bioreaktorech apod. Avšak u těchto materiálů je požadována určitá stabilita, protože častá výměna/krátká životnost nestálého materiálu není výhodná ekologicky ani ekonomicky. Znalostní mechanismu samovolné degradace v biodegradabilních polyester-etherových PUR materiálech může být předcházeno přidáním účinných přírodních aditiv už během samotné přípravy. Proto tento projekt bude zaměřen nejprve přípravu nových biodegradabilních PUR materiálů s prodlouženou životností. Druhá část výzkumu se bude zabývat porovnáváním vlastností (fyzikálně-mechanické, termální, makroskopické atd.) PUR materiálů s nižší a prodlouženou životností. Třetím bodem této práce bude analýza a monitoring urychleného stárnutí u nově systemizovaných PUR materiálů v abiotických podmínkách (hydrolýza, UV stárnutí atd.). Poslední část se bude sledovat porovnání rychlosti biodegradace u PUR materiálů se sníženou a prodlouženou životností. Kombinovaná termodynamická a strukturní studie polymerních systémů s využitím in-situ VT-XRD.
AnnotationCombined Thermodynamic and Structural Study of Polymer Systems Utilizing In-Situ VT-XRD. Fixace CO2 – cesta k udržitelným polymerům
AnnotationThe increasing production of greenhouse gas carbon dioxide (CO2) by human activities reached in 2021 more than 36 Gt and thus CO2 is generally considered as the biggest waste contributed to climate change. Current research is trying to address this challenge by capturing CO2 and using it as sustainable feedstock for polymer synthesis. The aim of this work is to investigate the possibilities of converting CO2 into polymer materials. The first route will be the CO2-oxirane (epoxy) coupling reaction, which leads to production of various cyclic carbonates, which are monomers for innovative polymer materials, e.g. non-isocyanate polyurethanes (NIPUs) and epoxides. The second approach will be the direct CO2 transformation into polycarbonates (PC). The third way will involve the ring-opening copolymerization of epoxide with CO2 leading to linear carbonate-ether copolymers. All the above-mentioned strategies will preferable utilize bio-based monomers to obtain fully renewable polymer materials. The important part of this PhD topic will be finding a suitable catalytic system for each synthetic path. Our preliminary experiments showed the successful CO2-epoxy cycloaddition in the presence imidazolium and metal-based ionic liquids (ILs). Due to ILs’ countless possible anion/cation combinations and their exceptional set of properties (low vapor pressure, negligible flammability, high thermal and chemical stability), they can seem to be suitable candidates to catalyze the cycloaddition reaction of epoxide and CO2 with tunable selectivity towards linear / cyclic carbonate and ether formation. As part of the doctoral project, a student's several-month internship at foreign collaborating workplace (INSA Lyon, France) is assumed. The candidates should have good communication skills in English (both in speaking and writing), should be able to work both in a team and independently. Active participation on foreign internships, trainings and scientific conferences is expected. Studium nanočástic pro fotoakustické zobrazování pomocí fotoakustického a SERS efektu
AnnotationThis PhD project focuses on studying one-pot–modified gold nanoparticles designed for advanced biomedical imaging. The goal is to characterize their plasmonic and surface properties and evaluate their suitability for near-infrared photoacoustic imaging and complementary SERS imaging that provides molecularly specific information. The project involves multimodal analysis of the prepared Au nanoparticles (photoacoustics, IR, Raman, SERS, UV–Vis, TEM, DLS) and investigation of the relationships between surface modification, optical response, and their potential applicability in biomedical diagnostics. Development of high pressure Raman and Raman optical activity spetroscopy
AnnotationVibrational spectra at high pressures, such as of biologically relevant molecules, provides insight into molecular structure and interactions. We will measure Raman spectra of model systems in the diamond pressure cell and interpret the spectra based on molecular dynamics simulations. We will also try to further develop the technique so that new information can be obtained using differential scattering of left and right circularly polarized light (Raman optical activity). Syntéza nanokompozitů na bázi biopolymerů pro odstranění farmakologických kontaminantů: od syntézy polymerů k environmentálním aplikacím
AnnotationReleasing and accumulating contaminants, especially residues from pharmaceutical products, pose health risks to humans and have a negative and significant impact on the environment. This research focuses on the development of innovative nanocomposites derived from biomass-based monomers and biopolymers for the removal of environmental contaminants. The relationship between the structure and properties of materials for contaminant sorption is still not fully understood, which limits their effectiveness. The scope of this work will first involve the synthesis and comprehensive structural characterization of the prepared nanocomposites, including porosity, stability, mechanical and thermal properties, to explain their efficiency in terms of macromolecular structure and the presence of active sites. The second research objective will be the evaluation of nanocomposites in terms of their sorption efficiency. Sorption kinetics will be studied to identify the mechanism and rate of the sorption process. The third part of the research will focus on the biodegradation of the nanocomposites after sorption in bioreactors using effective microbial cultures (such as activated sludge). The efficiency of pollutant biodegradation within the nanocomposites will be monitored, followed by the biodegradation of the nanocomposite materials themselves. During the biodegradation process, the degradation mechanism and potential degradation products will be observed and analyzed using selected analytical techniques. This project offers an alternative to conventional methods, aiming to minimize environmental impacts and improve the efficiency of environmental technologies. Syntéza funkcionalizovaných polymerů a polymerních membrán pro elektrochemická zařízení
AnnotationIon-exchange polymer membranes are widely used in laboratory and industrial applications. Major applications include electrochemical desalination of seawater and brackish water, wastewater treatment, separation of mixtures in the production of industrial chemicals and pharmaceuticals, separation of electrolytes from non-electrolytes in electrochemical devices such as electrolyzers, fuel cells and batteries. Recently, their use in hydrogen management and storage of excess electricity from renewable sources has become increasingly important. The use of so-called green hydrogen produced in electrolyzers is one of the ways in the transition to carbon-free energy. The topic includes the synthesis of polymers and polymer membranes bearing functional groups for a specific purpose. For example, sulfo and phosphono groups for cation-exchange or quaternary ammonium groups for anione-exchange materials. In addition, these polymers are useful for electrode design, as catalyst supports and for other applications. Preparative organic chemistry and polymerization reaction methods are commonly applied. Our department is flexible enough to give the potential candidate enough room to apply his or her ingenuity. Syntéza polymerních materiálů a polymerních membrán pro separační procesy
AnnotationPolymer membranes are widely used in separation processes due to their versatility, efficiency, and cost-effectiveness. These membranes are designed to selectively allow certain molecules or ions to pass through while blocking others, making them ideal for applications like water filtration, gas separation, and dialysis. Polymer membranes can be tailored for specific separation tasks by adjusting factors such as pore size, chemical composition, and surface properties. Their applications range from purifying drinking water through reverse osmosis to separating gases in industrial processes. With ongoing advancements, polymer membranes continue to play a crucial role in improving the sustainability and performance of various separation technologies. The subject matter encompasses the synthesis of novel polymers and the functionalization of commercially available materials, with a particular focus on their use in the separation of chemical mixtures, including gases and enantiomeric mixtures. Methodologically, the work will encompass polymerization reactions, the introduction of functional groups into polymers, and the utilization of reactions employed in preparative organic synthesis. Our department is sufficiently flexible to allow the prospective candidate the opportunity to exercise their inventiveness. Theory and interpretation of molecular optical activity spectra
AnnotationSpectroscopy using molecular optical activity is indispensible in analytical chemistry of chiral compounds. Interpretation of the spectra is often based on their simulations by methods of computational chemistry. However, for many cases, special theory and procedures need to be used which are not available in common software. We will concentrate on resonance molecular phenomena and develop protocols suitable for interpretation of enhanced vibrational circular dichroism and resonance Raman optical activity. The theoretical procedures will be tested with experimental data. |
Updated: 20.1.2022 16:26, Author: Jan Kříž