GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Ionic liquid thermodynamics: experimental measurements and modeling of heat capacity

Supervisor: Ing. Magdalena Bendová, Ph.D.

Co-supervisor: Ing. Zdeněk Wagner, CSc.

E. Hála Laboratory of Separation Processes

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The aim of this work is to obtain experimental data on isobaric heat capacity as a function of temperature for a comprehensive range of ionic liquids. These organic salts show a large variability in structure that significantly influences their thermophysical properties. The influence of ionic liquid structure on heat capacity will be studied in this work. The IL structures will be selected to reflect the structure-property relationship in the best manner possible. The experimental data will then be critically assessed by means of methods based on mathematical gnostics and subsequently used in modeling and finding the structure-property relationships for the ionic liquid heat capacity.

Required education and skills

• Master degree in physical chemistry, physics, or organic chemistry;
• basic programming skills and experience with Linux is an advantage;
• systematic and creative approach to work;
• team work ability.

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GRADUATE PROJECT IN  PHYSICAL CHEMISTRY

Interaction of task-specific ionic liquids with carbon dioxide

Supervisor: Ing. Magdalena Bendová, Ph.D.

E. Hála Laboratory of Separation Processes

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The proposed doctoral thesis will address a study of the interaction between task-specific ionic liquids (TSILs) with carbon dioxide in terms of an understanding of the influence structure of the studied TSILs on the phase equilibrium with CO₂, but also in view of their possible application in carbon capture or as reversible gels. The aim of this work will thus be to synthesize a comprehensive set of TSILs based on a preliminary screening by means of COSMO-RS modelling. The synthesized ILs will then be characterized in terms of their thermophysical properties. Phase equilibria in systems of TSILs with CO₂ will also be determined. The experimental data will subsequently be described using suitable thermodynamic relations.

Required education and skills

• Master degree in physical chemistry, physics, or organic chemistry;
• basic programming skills and experience with Linux is an advantage;
• systematic and creative approach to work;
• team work ability.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY

COSMO-RS modeling of the interaction between terpenes and water aerosol

Supervisor: Ing. Magdalena Bendová, Ph.D.

E. Hála Laboratory of Separation Processes

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Terpenes are a group of chemical compounds that occur naturally in the atmosphere as a result of their release from foliage. The general aim of the present project is to understand the role of terpenes in the formation of the Secondary Organic Aerosol (SOA) in terms of the interaction of terpenes with water aerosol. In particular, the present thesis will address modeling of this interaction by means of the COSMO-RS methodology by means of predicting the air-water partitioning coefficients and sorption of terpenes on the surface of the water aerosol droplets.

Required education and skills

• Master degree in physical chemistry, physics, or organic chemistry;
• basic knowledge of the COSMO-RS model, programming skills and experience with Linux are an advantage;
• systematic and creative approach to work;
• team work ability.

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GRADUATE PROJECT IN  ORGANIC CHEMISTRY / ORGANIC TECHNOLOGY

Application of microwave photochemistry on preparation of polyaromatic compounds

Supervisor: Dr. Ing. Vladimír Církva

Department of Analytical and Material Chemistry

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The project is coupling of two scientific branches: traditional photochemistry and neoteric microwave chemistry, when the effect of UV/Vis and microwave radiation on the chemical and physical properties of molecules is studied. UV radiation is generated quite extraordinary directly by microwave field using the electrodeless discharge lamps.

The aim of the project is a basic research of effect of microwave radiation on the course of cis-trans photoisomerization and photocyclization of stilbenes and o-terphenyls leading to phenanthrene, triphenylene, phenacene, and helicene derivatives, or to their hetero analogues.

The candidates should have a M.Sc. or equivalent degree (or thesis submitted) in organic chemistry or organic technology (or related field), a penchant for experimental work in organic synthesis.

References:

1. Církva V.: Microwaves in Photochemistry and Photocatalysis. In: Microwaves in Organic Synthesis, 3^rd Edition, kap. 14. (de la Hoz, A. and Loupy, A., Eds.), pp 563-605, Wiley-VCH, Weinheim 2012.

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GRADUATE PROJECT IN ORGANIC CHEMISTRY / ORGANIC TECHNOLOGY

Dendrimers with chiral periphery

Supervisor: Ing. Petra Cuřínová, Ph.D.

Co-supervisor: Ing. Tomáš Strašák, Ph.D.

Department of Analytical and Material Chemistry

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Organosilane dendrimers represent an interesting class of functional molecules with a number of applications. Their potential can be further increased by functionalization of their periphery with chiral molecules. Such carbosilicone dendrimers can find an utilization in separation techniques, sensors construction or asymmetric catalysis. A part of this project will be the synthesis and characterization of suitably substituted dendrimers enabling a simple transformation of their peripheric sphere (for example: by creating of ester or carbamic bond, or by click-reaction, and so on), then transformation of chiral compounds enabling their reaction with terminal groups of the achiral carbosilane core with respect to their later application.

Required education and skills

• Master degree in organic chemistry or organic technology;
• systematic, creative and independent approach to work;
• team work ability.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Metal silicide nanostructures: Novel materials for future applications

Supervisor: RNDr. Vladislav Dřínek, CSc.

Department of Catalysis and Reaction Engeneering

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Metal silicides as a special group of materials govern an advantage in compatibility with the current silicon technology. Properties of the alloys are unique and possess an application impact from optoelectronics, energy storage, spintronics to holograms. Moreover, the properties are also determined by size of prepared structures; surface to volume ratio and quantum effects for example electron delocalization in nanoparticle.

Metal silicide nanostructures (nanowires, nanoplatelets…) will be prepared by standard CVD and laser ablation. Several analytical techniques available at the institute (Raman, UV/VIS, FTIR, fluorescence and XP spectroscopies, SEM, EDX, voltametry…) make possible to anticipate an application potential of those nanostructured materials.

Required education and skills:

• Master degree in physical chemistry, physics or chemistry;
• autonomous approach to experiments;
• experimental skill.

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GRADUATE PROJECT IN ORGANIC CHEMISTRY

Stereodirecting effects of fluorine substitution at C-3 and C-4 of 2-azidohexopyranosyl donors

Supervisor: Mgr. Jindřich Karban, Ph.D.

Department of Material and Analytical Chemistry

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Stereoselective formation of a glycosidic bond remains the main challenge associated with the chemical synthesis of complex glycostructures. The influence of substituents at remote positions of the pyranose ring on the stereoselectivity of glycosylation is increasingly recognized. The subject of this doctoral thesis is therefore to study how fluorine substituents at C-3 and C-4 of 2-azido-2-deoxy-hexopyranosyl donors will affect the stereoselectivity in glycosylation of selected glycosyl acceptors. The fluorinated thioglycoside and trichloroacetimidate donors will be prepared from the known fluorinated 2-azidopyranoses. Their stereodirecting effects will be compared to those of the corresponding O-benzylated and O-acetylated donors and mechanistic interpretation suggested. These findings will be used for the development of stereoselective 1,2-cis glycosylation with the aforementioned donors and applied for the preparation of regioselectively fluorinated analogs of tumor TN antigen required for the synthesis of fluorinated anticancer vaccines.

References:

1. Nigudkar, S. S.; Demchenko, A. V. Chem. Sci. 2015, 6, 2687-2740.

Required education and skills

• Master degree in organic chemistry or organic technology.

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GRADUATE PROJECT IN ORGANIC CHEMISTRY

Synthesis of ruthenium-carbohydrate conjugates as cytostatic agents with an enhanced selectivity for cancer cells

Supervisor: Mgr. Jindřich Karban, Ph.D.

Department of Material and Analytical Chemistry

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Tumor cells exhibit drastically higher glucose uptake than normal cells and this phenomenon is accompanied by upregulated expression of glucose transporters (GLUTs) in the cytoplasmic membrane. It was demonstrated that linking of a cytostatic agent to glucose can increase the efficiency and selectivity owing to a specific transport of the conjugate into tumor cells by GLUTs. The aim of this doctoral project is to prepare cytostatic ruthenium-arene complexes conjugated regioselectively to a hydroxy group of glucose and other relevant monosaccharides. All positional isomers (C1-C6) of an arene-glucose ligand will be synthetized. The cytostatic activity of the resulting complexes will be determined in cooperation with The Masaryk Memorial Cancer Institute.

References:

1. Patra, M.; Awuah, S. G.; Lippard, S. J. J. Am. Chem. Soc. 2016, 138, 12541.
2. Calvaresia, E. C.; Hergenrother, P. J. Chem. Sci., 2013, 4, 2319.

Required education and skills

• Master degree in organic chemistry/technology or inorganic chemistry.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING / INORGANIC TECHNOLOGY

Microreactors and microphotoreactors for fine chemistry synthesis

Supervisor: Doc. Dr. Ing. Petr Klusoň

Co-supervisor: Ing. Petr Stavárek, Ph.D.

Department of Catalysis and Reaction Engineering

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague

The project focuses on the microreactor technologies for fine chemicals synthesis. Such commodities are still mostly produced in separate batch multipurpose large reactors and only time to time as the product is required on the market. However, even here microreactor platforms started to appear in the past years. They can again be in the form of batch systems, but most often they are constructed as continuous reactors with many additional process parts. Many types of microphotoreactros are also quite common and they are usually used for oxidation reactions. Modern microreactor platforms are characteristic by a high level of internal process control and automatic data collection. Regioselective and stereoselective hydrogenations along with oxidation reactions, dehydrogenations and esterifications will be surveyed.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Thermodynamics of liquid mixtures: Molecular-based equations of state

Supervisor: Prof. RNDr. Ivo Nezbeda, DrSc.

Laboratory of Aerosol Chemistry and Physics

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Knowledge of the state behavior of and phase equilibria in liquid mixtures is an indispensable part of separation process design. Unlike purely empirical equations of state, molecular-based equations enable a reliable extrapolation into the region of thermodynamic conditions where laboratory experiments are difficult to carry out or even impossible (for either technical or safety reasons). The goal of the Ph.D. thesis is to derive/obtain semi-theoretical expressions for the description of thermodynamic properties of liquid mixtures for their use in geochemistry and astrophysics, and for compounds with a limited possibility in laboratory experiments.

Required education and skills

• M.Sc. in physical chemistry, physics, or chemical engineering;
• basic programing skill;
• interest in research.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING

Effect of interfacial properties on dynamics of bubbles and drops

Supervisor: Sandra Orvalho, Ph.D.

Co-supervisor: Ing. Jiří Vejražka, Ph.D.

Department of Multiphase Reactors

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Multiphase systems are widely spread in nature and in industrial applications. Their behavior depends on the properties of interface between the phases. If surface-active agents (SAS) are present, interfacial properties cannot be characterized just by surface tension, but features like interfacial rheology and/or adsorption rate must be taken in account. Phenomena such as the bubble formation, bubble motion, mass transfer or bubble coalescence are very sensitive to these interfacial properties.

In the project, the postgraduate student will i) characterize the adsorption of SAS by measuring relevant physical-chemical properties and by ii) performing experiments focused on bubble dynamics (their motion, dissolution rate, coalescence or similar processes). The combination of these two approaches should provide an insight on effect of SAS on bubble dynamics and their consequences on multiphase systems.

The typical work will include measurements of interfacial rheology, observations of bubble dynamics by a high-speed camera, processing the acquired data using Matlab, but also building single-purpose experimental equipment and physical interpretation of results.

The Applicant should have a master degree in chemical or mechanical engineering or in physical chemistry and should be systematic and have a creative approach to research.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING

Multi-phase flow simulations with FLUENT solver

Supervisor: Doc. Ing. Marek Růžička, CSc., DSc.

Co-supervisors: Dr. Vít Orava and others

Department of Multiphase Reactors

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The goal of this PhD course is to learn how to use the FLUENT code in the field of the multi-phase flow hydrodynamics (e.g. bubble columns, etc.) through solving particular flow problems within the frame of interest of our department, based on mutual agreement student-supervisor. The research area here is versatile, covering a span of relevant length-scales (micro, meso, macro): from single bubbles to gross flows of bubbly mixtures in sparged beds.

Required education and skills

• Master degree in engineering, physics, mathematics;
• be fluent in FLUENT;
• ability and willingness to learn and team-work.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING

Granular media

Supervisor: Doc. Ing. Marek Růžička, CSc., DSc.

Co-supervisors: Ing. L. Kulaviak, Ph.D., Ing. V. Pěnkavová, Ph.D.

Department of Multiphase Reactors

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Granular media (GM, dry, wet) present a particular state-of-matter (they are solid-fluid multiphase systems) and in many aspects differ from common solids and fluids. GM statics and dynamics obey specific and complex physical laws that are currently under study. The goal of this PhD course is to learn how to characterize GM with laboratory methods (powder rheometre Freeman FT4) and predict their typical features at flow and storage (stability, flowability, cohesion, inner friction, etc.), in case studies according to the research plan of our Department. The obtained skills can be applied in numerous fields where GM materials occur, both in nature and technology (chemicals, pharma, food, building material, soil mechanics, sands, avalanches, geology).

Required education and skills

• Master degree in engineering, physics, mathematics;
• ability and willingness to learn and team-work.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING

Dynamics of multi-phase systems: gas-liquid-solid

Supervisor: Doc. Ing. Marek Růžička, DSc.

Co-supervisors: Ing. M. Zedníková, Ph.D., S. Orvalho Ph.D.

Department of Multiphase Reactors

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Multiphase systems are all around us, in nature and in industry technologies and applications (sedimentation, fluidization, bubble columns, flotation apparatuses, etc.). Due to the complexity and applicability of these systems, it is seriously worth to study their hydrodynamic aspects. The present PhD research will focus on the experimental and theoretical description of processes controlling multiphase dispersions at microscale level (like bubble coalescence, bubble-particle collision) and their consequences on the flow regimes at the macroscale level (bubble columns, flotation apparatus, etc.). The obtained results will be valuable in many industrial applications (chemical and oil industry, food processing, metallurgy, pharmaceutical and environmental industry).

Required education and skills

• Master degree in chemical or mechanical engineering, or physics and mathematics;
• ability and willingness to study;
• creative approach and team-work.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING

Nucleation, desaturation, foams

Supervisor: Doc. Ing. Marek Růžička, CSc., DSc.

Co-supervisors: Dr. S. Orvalho, Ing. M. Zedníková, PhD.

Department of Multiphase Reactors

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The goal of this PhD course is to study the dynamics of foam formation. After pressure drop, the gas-saturated liquid desaturates via heterogeneous bubble nucleation, growth and rise. The bubbles accumulate at the surface and generate a foam layer, due to presence of a surfactant. Experiment will combine with physically based mathematical modelling.

Required education and skills

• Master degree in engineering, physics, mathematics;
• ability and willingness to learn and team-work.

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GRADUATE PROJECT IN ORGANIC TECHNOLOGY / ENVIRONMENTAL SCIENCES

Chemical composition of atmospheric nanoparticles and its dynamics

Supervisor: Ing. Jaroslav Schwarz, CSc.

Laboratory of Aerosol Chemistry and Physics

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Nanoparticles (particles bellow 100 nm) form most of total particle number in the atmosphere, but only a small part of their mass. At the same time, they carry the richest information about their origin. However, this information is lost in common analysis of all particles because larger particles form most of the mass. Nanoparticles originate in high temperature processes (primary aerosol) or they are formed directly in the atmosphere by chemical reactions followed by condensation of products with a lower volatility. The aim of this thesis will be in getting information about nanoparticles’ chemical composition by combination of on-line and off-line analytical methods (AMS – aerosol mass spectrometry, IC, LC-MS). The obtained results will be used to determine sources of nanoparticles in the atmosphere using receptor modelling (mainly PMF).

Required education and skills

• Master degree in chemistry, environmental studies or meteorology;
• systematic and creative approach to work;
• both independence and team work ability.

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GRADUATE PROJECT IN ORGANIC TECHNOLOGY / ENVIRONMENTAL SCIENCES

Study of ambient organic aerosol origin

Supervisor: Ing. Jaroslav Schwarz, CSc.

Laboratory of Aerosol Chemistry and Physics

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Organic compounds belong to major components of atmospheric aerosols. As number of organic compounds in aerosol is uncountable, a simple quantification of all carbon present in these compounds or analysis of smaller number of compounds specific for individual sources are used. Another possibility is an analysis of individual fragments, obtained using on-line aerosol mass spectroscopy or by measurement of light absorption at several wavelengths. In all cases, a factor analysis is used for determining the share of individual sources. The results of this analysis can for example discern whether increased usage of biomass combustion for residential heating or biofuels for cars can really improve the ambient air quality. The work connected with sampling will be carried out in Prague and at Košetice observatory at Czech-Moravian Highlands, the analysis will be done in ICPF laboratories.

Required education and skills

• Master degree in chemistry, environmental studies or meteorology;
• systematic and creative approach to work with a sensitivity to a detail;
• both independence and team work ability.

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GRADUATE PROJECT IN ORGANIC TECHNOLOGY

Comprehensive study of microstructural properties of advanced porous materials

Supervisor: Ing. Karel Soukup, Ph.D.

Department of Catalysis and Reaction Engineering

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The proposed project is focused on mass transport measurements and the transport characteristics (transport parameters and effective diffusion coefficients) determination of porous solids. The student is supposed to study various porous materials with optimized a pore network including biomass-based activated carbons, catalysts with hierarchical pore structures or nanofibrous membranes prepared by electrospinning technique. Transport characteristics will be determined by combination of Wicke-Kallenbach cell and the inverse gas chromatography method. Subsequently, fitting of the primary data to the Mean Transport-Pore Model will provide transport characteristics. Within the textural studies a special attention will be paid to the detailed analysis of the micropores using advanced texture methods based on the Density Function Theory.

Required education and skills

• Master degree in chemical technologies, chemical engineering or physical chemistry;
• methodical and creative approach to work;
• willingness to perform experimental work and learn new issues.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING / INORGANIC TECHNOLOGY

Application of a meandering channel microreactor for study of gas phase reactions on the heterogeneous catalyst

Supervisor: Ing. Petr Stavárek, Ph.D.

E. Hála Laboratory of Separation Processes

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Microreactors presents perspective devices that find many applications for their advantageous features is chemical processes. This thesis proposal aims at the study of catalytic oxidation reactions with use of a new microreactor prototype with a meandering channel, developed by ICPF. The reaction space of this compact microreactor has a geometry of a meandering channel that is more than 3 meters long. In contrast to conventional laboratory reactors, such a particular geometry of the microreactor permits to conduct a reaction study or catalyst testing under the mass and heat transport conditions that are in fact identical to conditions in industrial reactors.

The work will consist in the performing of experimental reaction tests with an innovative microreactor and collecting and evaluating of experimental data by a mathematical model. The candidate should have a good knowledge of chemical and reaction engineering, organic chemistry and has good computer skills to work with data acquisition and evaluation systems as well as with mathematical modelling software. To complete the delegated tasks, the personal abilities such as independence, creativity and team work ability will be required.

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GRADUATE PROJECT IN ORGANIC CHEMISTRY

Synthesis and study of polyaromatics-based ionic compounds

Supervisor: Ing. Jan Storch, Ph.D.

Co-supervisor: RNDr. Jaroslav Žádný, Ph.D.

Department of Analytical and Material Chemistry

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The aim of this Ph.D. thesis will be the transformation of helicene- [1] and phenacene-derivatives into suitable precursors for polyaromatics-based ionic compounds synthesis (e.g. 1, 2, 3). Such molecules will serve for preparation of functional layers [2] applicable for example in medical diagnostics. Simultaneously the interactions of some compounds with biomolecules (e.g. DNA) will be intensively studied. This part will be performed in close cooperation with the Palacký University Olomouc (Faculty of Medicine). .

Required education and skills

• Master degree in organic chemistry or technology;
• systematic and creative approach to work;
• team work ability.

References:

1. Žádný J., Velíšek P., Jakubec M., Sýkora J., Církva V., Storch J. Tetrahedron 2013, 69, 6213.
2. Storch J., Žádný, J., Strašák, T., Kubala, M., Sýkora, J., Dušek, M., Církva, V., Matějka, P., Krbal, M., Vacek, J. Chem. Eur. J. 2015, 21, 2343.

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GRADUATE PROJECT IN ORGANIC CHEMISTRY / ORGANIC TECHNOLOGY

The synthesis of organosilane dendrimers for bioaplications and material chemistry

Supervisor: Ing. Tomáš Strašák, Ph.D.

Department of Analytical and Material Chemistry

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The aim of the project will be design and synthesis of new types of dendrimers for applications in material- and biosciences (applications as themselves will be carried out in a collaboration with an external partner). Silicon, as a branching point, will interconnect organic chains with functional group allowing to modulate the dendrimer properties (such as polarity, lipophility, biodegrability, etc.) in these newly prepared organosilicone structures. The inner organosilicon core will be linked to an outer layer (peripheral generation of the dendrimer) performing functions according to the needs of their particular application. Quarternary onium groups, modified poly(ethyleneglycols), and various saccharide derivatives will be tested among others as components of the outer layer. Detailed analysis of products by appropriate techniques (NMR, HRMS, GPC, etc.) will be a part of this project.

Required education and skills

• Master degree in organic chemistry or organic technology;
• systematic and creative approach to work;
• team work ability.

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GRADUATE PROJECT IN ORGANIC CHEMISTRY / ORGANIC TECHNOLOGY

New selectors for chiral stationary phases

Supervisor: Ing. Jan Sýkora, Ph.D..

Co-supervisor: RNDr. Jaroslav Žádný, Ph.D.

Department of Analytical and Material Chemistry

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Racemic mixtures resolution is playing an important role not only in pharmaceutical industry, but also in the field of material chemistry, for example in optoelectronics. Although there is a plenty of commercially available stationary phases, their selectors are overwhelmingly based on sugar derivatives. New chiral selectors based on natural compounds or on so far unused helically chiral molecules (see the fig.) will be studied within this ambitious postgradual project. The work will be focused not only on design and synthesis of selectors as themselves, but also on preparation of stationary phases, fabrication of functional prototypes of HPLC columns and testing their efficiency on selected model substrates.

Required education and skills

• Master degree (MSc.) in organic chemistry or organic technology;
• Systematic, creative and independent approach to work;
• team work ability.

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GRADUATE PROJECT IN ORGANIC TECHNOLOGY

Preparation of sorption nanomaterials with specific properties

Supervisor: Ing. Olga Šolcová, DSc.

Department of Catalysis and Reaction Engineering

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

This doctoral thesis will be focused on the preparation of nanomaterials suitable for selective sorption of the diverse liquid compounds. The influence of the various type of modification on structural as well as on functional properties of the material, e.g. the surface hydrophobicity or hydrophilicity, will be studied. The modification of the prepared sorbents will take place primarily in order to increase the sorption capacity and to improve the selectivity. Sorbents prepared in the form of powder or thin layers will be further characterized by a series of analyzes and using the special sorption experiments. In particular, completely new sorbents will be studied, so called marsmellow type, capable of total separation of oil and water, which are applicable in environmental processes.

Required education and skills

• Master degree in organic technology, physical chemistry or organic chemistry;
• holistic and creative approach to work;
• individual and responsible approach
• team work ability.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING

Wall slip effect at the flow of complex fluids

Supervisor: Ing. Jaroslav Tihon, CSc.

Co-supervisor: Ing. Věra Pěnkavová, PhD.

Department of Multiphase Reactors

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

It becomes quite often in fluid mechanics, that a classical boundary condition of full adhesion of flowing liquids to the wall is not fulfilled. A wall slip of common liquids is observed especially at extremely smooth and hydrophobic surfaces. In the case of complex fluids, e.g. microdisperse liquids, polymer solutions or nanofluids, an apparent wall slip often appears as a consequence of the formation a thin near-wall layer of fluid depleted of particles. The relative slip and flow contributions to the full kinematic effect depend on the individual flow geometry. This fact enables us to detect both the slip and flow material function from viscometry measurements provided with sensors of different geometries.

The goal of this work is to investigate the wall slip phenomena for various complex fluids and different wetted surfaces (materials and roughnesses). Experiments will be carried out using an original methodology developed in our laboratory (including novel viscometry sensors and in-house software). The work will include the preparation of microdispersions, viscometry experiments, data treatment and analysis, and possible improvement of the actual software.

The candidate should have a M.Sc. degree in chemical engineering, physical chemistry, or in a similar applied science field. Some experimental skill and basic knowledge of hydrodynamics is appreciated.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Transport of condensable vapor in pores of inorganic membranes

Supervisor: Ing. Petr Uchytil, CSc

Eduard Hála Laboratory of Separation Process

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The aim of this doctoral thesis will be to study vapor and gas separation by inorganic porous membranes. If a separated mixture contains condensable gas in certain pressure conditions condensation in small pores could occurred. In this case great change of separation efficiency could be expected. The condensate will restrict the transport of noncondensable substance. It could be seen from this short description that the gas transport in small pores is complicated but interesting process which has considerable particle significance.

Experiments will be done on Vycor (silica) and alumina membranes. Nitrogen, hydrogen (noncondensable gases) and butane, freon (condensable gases) will be used. The great area is open to the mathematical modeling of the gas transport in small pores of inorganic membranes.

The advantage - a M.Sc. degree in physical chemistry.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Mass transport in liquid film

Supervisor: Ing. Petr Uchytil, CSc

Eduard Hála Laboratory of Separation Process

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The project is focused on the mass transport description of permeating substances in thin liquid films. At first the flux of pure components will be measured. After that, the permeation of binary mixtures will be studied, namely systems with carbon dioxide. Carbon dioxide is the most important greenhouse gas; therefore its removal from gas streams containing air or methane falls within the most encountered separation task in practical industries.

Pozornost bude věnována sledování vzájemného ovlivnění látek při jejich průchodu membránou. Pro studium transportu složitějších systémů bude použita nová aparatura s detekcí pomocí plynového chromatografu či hmotnostního spektrometru.

Mutual influence of both permeated substances will be evaluated. New apparatus with TCD detector or mass spectrometer detector will be used for the experiments.

The candidate should have a M.Sc. degree in physical chemistry or in chemical engineering.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Thermodynamic study of the role of terpenes on formation of secondary organic aerosols

Supervisor: Ing. Zdeněk Wagner, CSc.

E. Hála Laboratory of Separation Processes

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Terpenes originating from foliage by natural processes together with products of their photooxidation and ozonolysis play an important role in secondary organic aerosol (SOA) formation. The mechanism is not yet explained because the experimental values of physico-chemical properties are not available in the literature. The aim of the work is thus experimental determination of physico-chemical properties that are needed for understanding of the SOA formation, namely saturated vapour pressures, densities, UV-Vis absorption and surface tension of terpenes and their water solutions. The properties will also be described by relevant thermodynamic relationships.

Required education and skills

• Master degree in physical chemistry, physics, or organic chemistry;
• basic programming skills and experience with Linux are an advantage;
• systematic and creative approach to work;
• team work ability.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Phase equilibria in polymer + solvent systems

Supervisor: Ing. Ivan Wichterle, DrSc.

E. Hála Laboratory of Separation Processes

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The aim of the thesis is both experimental and theoretical study of phase equilibria in systems containing polymer and solvent.

Vapor–liquid equilibria will be determined by a dynamical ebulliometric method or statically by measurement of total pressure over a solution. Data on liquid–liquid equilibrium will be measured e.g. with use of turbidimetric method. The thesis includes a continuous improvement and development of new experimental techniques for the systems resisting regular measurement.

The data obtained will be correlated using thermodynamic models based on local-composition–free-volume approach. Further, data will be exploited for fitting new functional group interaction parameters, which are necessary for calculation of phase equilibria by powerful predictive thermodynamic models based on group contribution principle.

Required education and skills

• Master degree in physical chemistry, physics, organic chemistry/technology
• experimental skill and invention
• creative/systematic approach and team work ability

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY / CHEMICAL ENGINEERING

Transformations of aerosol particles due to changes in gaseous environment

Supervisor: Ing. Vladimír Ždímal, Dr.

Co-supervisor: Ing. Jaroslav Schwarz, CSc.

Laboratory of Aerosol Chemistry and Physics

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

The aerosol particles are omnipresent in the atmosphere, influencing many processes on the Earth starting from the global warming to health effects. They tend to be both in physical and chemical equilibrium with their gaseous environment, but due to dynamic changes in the atmosphere or during their transport to human lungs, the particles change during their lifetime. Therefore, it is necessary to study their answers to these changes to be able to predict their fate and effects after their release to or formation in the atmosphere. The study will be done using a newly developed system of laminar flow reactors enabling to control ambient conditions of particle neighborhood. The doctoral student is supposed to study these phenomena using advanced methods of aerosol instrumentation including on-line chemical and physical characterization of particles by aerosol mass spectrometry.

Required education and skills

• Master degree in chemical engineering, physical chemistry, organic technology, chemical physics,
  meteorology ... ;
• willingness to do experimental work and learn new things;
• team work ability.

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GRADUATE PROJECT IN DRUGS AND BIOMATERIALS / CHEMICAL ENGINEERING

Aerosol behavior after inhalation—an experimental study

Supervisor: Ing. Vladimír Ždímal, Dr.

Co-supervisor: Ing. Jakub Ondráček, Ph.D.

Laboratory of Aerosol Chemistry and Physics

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Project deals with experimental investigations on real aerosol changes due to changing temperature and relative humidity. The topic is closely tied with two hot issues of recent aerosol research: health effects and global climate changes. Two types of experiments will be carried out. In laboratory experiments, model aerosol systems will be used representing various subgroups of atmospheric aerosols. Samples of atmospheric aerosols will be taken to observe hygroscopic behavior depending on particles origin: transport, biomass combustion, etc. Another case study will be performed on aerosol inhalers and behavior of generated particles upon their entrance to the human respiratory tract.

The project is commendable to highly motivated students capable of self-reliant work with world-class instrumentation. The student is assumed to function as a member of a team consisting of graduate students and postdocs, having frequent contacts with the international scientific community during European projects and international conferences and workshops. The laboratory is equipped by top aerosol instrumentation with a capacity to built/modify instruments for specific applications.

References

1. Harrison R. M., van Grieken R.E.: Atmospheric Particles, John Wiley, New York, 1998.
2. Seinfeld J. H., Pandis S. N.: Atmospheric Chemistry and Physics, John Wiley, New York, 1998.

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GRADUATE PROJECT IN PHYSICAL CHEMISTRY / CHEMICAL ENGINEERING

Study on transformations of organic aerosols

Supervisor: Ing. Vladimír Ždímal, Dr.

Co-supervisor: Ing. Tereza Trávníčková, Ph.D.

Laboratory of Aerosol Chemistry and Physics

Institute of Chemical Process Fundamentals of the CAS, v. v. i., CZ-165 02 Prague 6

Secondary organic aerosols (SOA) as important components of atmospheric aerosols influence Earth’s climate, human health and life expectancy. They are produced by atmospheric photooxidations of anthropogenic and biogenic volatile organic compounds (BVOCs) via gas-to-particle conversion. Terpenes and isoprenes belong to the most abundant chemical species detected in BVOC emissions. They can be oxidized to form semi- and low-volatile carbonyls, acids, and other products, transitioning between gas and particulate phase. To correctly describe these transformations by mathematical models, knowledge of thermodynamic and transport properties of these compounds is needed. The doctoral student will study these phenomena using advanced aerosol instrumentation including on-line chemical and physical characterization of particles by mass spectrometry.

Required education and skills

• Master degree in chemical engeneering, physical chemistry, organic technology, chemical physics,
  meteorology ... ;
• willingness to do experimental work and learn new things;
• team work ability.

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