GRADUATE PROJECT in Physical Chemistry

Structure of ionic liquids and of their mixtures with molecular solvents

Supervisor: Ing. Magdalena Bendová, Ph.D.

E. Hála Laboratory of Thermodynamics

Institute of Chemical Process Fundamentals, AS CR, v. v. i. 16502 Prague 6

The aim of this doctoral thesis will be to study the structure of pure ionic liquids (ILs) and their mixtures with common molecular solvents (water, acetonitrile, alcohols, etc.), both experimentally and by means of theoretical modelling. In the experimental part thermodynamic and thermophysical properties of pure ionic liquids with comparable cation structure, and phase equilibria in mixtures with molecular solvents will be investigated. In this way, the influence of the cation structure on these macroscopic properties will be evaluated. On the molecular level, SAFT equation of state will be used to assess the influence of ILs structure by modeling of phase equilibria.

Required education and skills

·      Master degree in physical chemistry, physics, or organic chemistry;

·      systematic and creative approach to work;

·      team work ability.

GRADUATE PROJECT IN Organic chemistry / Organic technology

Preparation of helicene derivatives using the microwave photochemistry

Supervisor: Dr. Ing. Vladimír Církva

Environmental Process Engineering Laboratory

Institute of Chemical Process Fundamentals of the AS CR, v. v. i., 165 02 Prague 6 - Suchdol 

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 stilbene and o-terphenyle derivatives leading to phenanthrene, triphenylene, helicene or heterohelicene derivatives.

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.

 

GRADUATE PROJECT IN Organic technology

Utilization of the micro photoreactor on the selected photochemical reactions

Supervisor: Dr. Ing. Vladimír Církva

Environmental Process Engineering Laboratory

Institute of Chemical Process Fundamentals of the AS CR, v. v. i., 165 02 Prague 6 – Suchdol

The project is coupling of two scientific branches: traditional photochemistry and rapidly expanding field of microreactors. Microreactors have several advantages such as the high surface-to-volume ratio, the small length scales of microfabricated devices, the higher illumination homogeneity and better light penetration. Together with feasible iso-thermal operation, they open new ways in photochemistry. Available micro photoreactor will be employed to find the optimal reaction conditions to study a thermal dependence of photostationary state for the selected stilbenes. The effect of temperature, light wavelength, and solvent on cis-trans stilbene photoisomerization, and photocyclization will be investigated. Project will result in formulation of a methodology for microreactor utilization in photochemictry with the direct validation with a selected reaction.

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, and the ability to learn the knowledge of microfluidics.

 

GRADUATE PROJECT in Organic chemistry

Catalysis by cyclopentadienyl metal complexes in fluorous media

Supervisor: doc. Ing. Jan Čermák, CSc.

Department of Organic Synthesis and Analytical Chemistry

Institute of Chemical Process Fundamentals, ASCR, v. v. i.

The aim of the project is a detailed study of catalytic properties of fluorophilic cyclopentadienyl complexes prepared so far in our group or alternatively modification of their structure to optimize the catalytic activity. Cyclopentadienyl metal complexes are known catalysts of a number of reactions (e.g. hydrogenation, hydrosilylation, Diels-Alder reaction, cycloadition). Since several series of fluorous cyclopentadienes were made previously, the relations between the way of fluorophilization of the cyclopentadienyl ligand and catalytic activity of complexes derived from it can be examined in these reactions.

Although considerable know-how has been accumulated in our group already, concerning the synthesis of fluorous cyclopentadienes, the project includes a synthetic part since the complexes need to be resynthetized, and in several cases their synthesis optimized or modified for optimization of catalytic activity. Synthesis and characterization of prepared organic and organometallic compounds will therefore constitute an important part of the planned work.

The group has a good and versatile experimental equipment suited for the proposed project.

 

GRADUATE PROJECT in Physical Chemistry

Purification of raw biogas by membrane processes

Supervisor: Ing. Pavel Izák, Ph.D.

Department of Separation Processes, Institute of Chemical Process Fundamentals – ICPF, AS CR, v. v. i., 165 02 Prague 6

Social efforts to protect the environment raise increasing demands on the limits that must be met by energetic sources. Carbon dioxide (CO₂), sulphur dioxide (residual SO₂) and mainly methane (CH₄) remain among the prevalent pollutants that occur e.g. during the combustion process of raw biogas. A fundamental part of the project lies in the laboratory verification of the membrane gas separation based on our patent (CZ303107). The subject of the doctoral thesis will be the determination of permeation properties of selected systems on the apparatuses at the ICPF. On the basis of the results the most economically promising system will be chosen and it will be further developed for the commercial utilization in the industry. The candidate of the doctoral thesis will be required to elaborate a detailed literature search of foreign literature on the issue and to measure as well as to analyze the results independently. In the cooperation with the supervisor he or she will also write papers for the foreign periodic.

 

GRADUATE PROJECT in Chemical engineering 

Characterization of microdevices and their selection for research and industrial applications

Supervisor: Ing. Vladimír Jiřičný, CSc.

Expert Supervisor: Ing. Jiří Křišťál, PhD

Department of Separation Processes

Institute of Chemical Process Fundamentals of the ASCR, v. v. i.

The aim of the project is the characterization of  microreactors with the mass and heat transfer models and the formulation of the microdevice selection methodology for the research and industrial application. High active surface-to-volume ratio of microdevices allows for the accurate control of local process conditions necessary for the optimal reaction performance. Therefore, high conversion and selectivity can be achieved in a single pass of the reaction system through the microreactor. Project will focus on the one and two-phase systems with different material properties and will be linked to the research carried out in the EU projects IMPULSE and F3 Factory. The Ehrfeld Modular Micro Reaction System is available for the experimental part of the project.

Requirements:

·       University degree (Ing., Mgr.) in chemical engineering, chemical technology, etc.

·       Positive attitude to programming and experimental work

·       Systematic approach to work duties and creativity

·       Team work ability

 

GRADUATE PROJECT in Environmental Engineering

Combined degradation methods for halogenated pollutants

Supervisor: Prof. Ing. Petr Mikulášek, CSc.¹

Expert Supervisor: Ing. Jiří Křišťál, PhD²

¹Univerzita Pardubice, Fakulta chemicko-technologická, Studentská 573, 532 10 Pardubice

²Institute of Chemical Process Fundamentals, AS CR, v. v. i.  16502 Prague 6

The aim of this PhD work is focused on the complex study of the chemical and physical methods for degradation of halogenated pollutants. Halogenated substances have been widely used as additives for plastics, e.g. as flame retardants. In environment, they occur as anthropogenic pollutants with a high health hazard.  A suitable combination of degradation method can decrease the toxicity of these pollutants.  The work will focus especially on chemical reduction, electrochemical degradation and photochemical methods, with the utilization of microreactors. Important parts of the research will be detailed chemical engineering analysis of the reaction system, its optimization, and evaluation of the experimental data.

Requirements:

·      University degree (Ing., Mgr.) in chemical engineering, environmental engineering, organic chemistry, environmental chemistry, etc.

·      Positive approach to work duties

·      Team work ability

 

GRADUATE PROJECT IN CHEMICAL ENGINEERING

Hierarchically structured biocatalysts

supervisor: Ing.Gabriela Kuncová, CSc

Department of Organic Synthesis and Analytical Chemistry

Institute of Chemical Process Fundamentals of the ASCR, v. v. i., Prague

The aim of the project is preparation of hierarchically structured biocatalysts consisting of organic compounds, enzymes or microorganisms, immobilized into organic-inorganic nanomaterials.

The topics of experimental work will be preparation and study of properties of solid biocatalysts with inorganic skeleton for application in micro-reactors and optical sensors.

Required education and skills:

•  M.Sc. or equivalent degree (or thesis submitted) in chemical engineering, biotechnology (microbiology, biochemistry and related field) or inorganic chemistry (chemistry of silicates, material engineering analytical chemistry and related fields).

• a penchant for experimental work

• the ability to learn necessary knowledge from optics, spectroscopy, electronics, polymer chemistry and analytical chemistry

 

GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Phase equilibrium in reacting systems

Supervisor: Ing. Jan Pavlíček, CSc.

E.Hála Thermodynamic Laboratory

Institute of Chemical Process Fundamentals of the ASCR, v. v. i., 165 02 Praha 6 – Suchdol

The description  of the vapour-liquid phase  equilibria at normal and lower pressure in the systems without chemical reaction is quite well understood both from the theoretical and the experimental point of view. The situation is different in systems with chemical reaction, especially from experimental point of view.

The aim of this project is experimental determination and following description of the equilibrium data in a selected model systems with well defined equilibrium chemical reaction, i.e. the esterification. In the case of  classical phase equilibrium  the basic state variables – temperature, pressure,  composition – are measured; in this case we need also kinetic and equilibrium data for given reaction. Top quality instrumental equipment is used to determine basic state variables. Responsible technical approach is necessary for this work. Programming skills are also integral part of this work because of continual improvement of existing software.

The candidates  should have:

M.Sc. or equivalent degree in science (chemistry, chemical engineerig or – most preferable -  physical chemistry)

penchant for experimental work is essential.

 

GRADUATE PROJECT in Physical Chemistry

Computational study of interactions of molecules with mineral surfaces

Supervisor: RNDr. Milan Předota, Ph.D.

E. Hála Laboratory of Thermodynamics

Institute of Chemical Process Fundamentals AS CR, v. v. i., 16502 Prague 6

The project is focused on computer modeling of interactions of organic molecules (natural organic matter, polycyclic aromatic hydrocarbons), biomolecules (DNA building blocks) and binary mixtures of solvents with mineral surfaces applied on environmentally and technologically important systems. Interactions of these molecules with quartz and rutile surfaces will be studied by molecular dynamics using GROMACS software. The simulation outputs will provide conformations of the adsorption complexes, thermodynamic properties, i.e. interaction energies, free energies and adsorption isotherms. Leading interactions and roles of participating atoms and groups will be identified in the complexes. The simulation results will be linked with experimental results, both using existing experimental data as well as carrying out simulations related to ongoing experimental research of our partners.

Required education and skills

·      Master degree in physics or chemistry;

·      knowledge or willingness to acquire computer skills – work on remote linux computer clusters, GROMACS software.

 

GRADUATE PROJECT in Physical Chemistry

Computer simulations of electrokinetic phenomena

Supervisor: RNDr. Milan Předota, Ph.D.

E. Hála Laboratory of Thermodynamics

Institute of Chemical Process Fundamentals AS CR, v. v. i. 16502 Prague 6 

The project is focused on computer modeling of electrokinetic phenomena at the solid/liquid interface - electroosmosis, electrophoresis. These phenomena are commonly experimentally studied and widely used, but the molecular interpretation of the origin of these phenomena and their prediction using methods of nonequilibrium molecular dynamics is still in its infancy. An important objective is also to compare the results with model (theoretical) ideas about the structure of the solid/liquid interface. The project goal is to develop recent results of the supervisor, deepen them systematically and apply them to study other systems. To carry out the simulations, the GROMACS software (www.gromacs.org) is recommended.

Required education and skills

·      Master degree in physics or chemistry (physical chemistry preferred);

·      knowledge or willingness to acquire computer skills – work on remote linux computer clusters;

·      at least basic knowledge of programming is advantageous

 

GRADUATE PROJECT IN ORGANIC CHEMISTRY/

ORGANIC TECHNOLOGY/PHYSICAL CHEMISTRAY

Air quality effect on degradation of cellulose

Supervisor: Ing. Jiří Smolík, CSc.,

Expert supervisor: Ing. Michal Ďurovič, Dr.

Department of Aerosol and Laser Studies

Institute of Chemical Process Fundamentals, AS CR, v. v. i.  16502 Prague 6

Recent results of study of indoor air quality effect on library and archival collections indicate a strong influence of submicron aerosol particulate matter on degradation of cellulose. These particles are very complex in composition and contain predominantly ammonium sulphate and nitrate, organic matter emmited from traffic and vegetation, soot, heavy metals and also inorganic acids, adsorbed on their surface. Due to acidic nature and catalytic effect of metals these particles can contribute to degradation of cellulose by hydrolysis or oxidation. The aim of the project is to identify possible mechanisms of degradation of cellulose caused by deposited particulate matter and to contribute to preservation of cultural heritage. The degree of degradation will be studied by means of value of average degree of polymerisation, chemical composition of particles will be determined by a combination of several analytical methods (HPLC, ion chromatography, PIXE, H-NMR and others).

The candidate should be a graduate or have a strong foundation in organic and/or physical  chemistry. He/she should be independent, enthusiastic for experimental work and highly motivated.

 

GRADUATE PROJECT in CHEMICAL ENGINEERING/ Organic TECHNOLOGY

Encapsulation of plant extracts using supercritical CO₂

Supervisor: Ing Helena Sovová, CSc.

Consultant: Ing. Marie Sajfrtová, Ph.D.

Department of Separation Processes

Institute of Chemical Process Fundamentals, AS CR, v. v. i.  16502 Prague 6 

The advantages of encapsulation of natural substances in polymeric materials using supercritical CO₂ include non-toxicity and easy removal of the solvent, operation at moderate temperatures and in an inert atmosphere, and the capability of CO₂ for modifying properties of the polymer (plasticizing, swelling, reduction of melting temperature, etc.) as well as the interactions between the polymer and the active substance. Beside pharmaceutical applications, the encapsulated bioactive substances have potential in nutraceutical delivery systems and as agrochemical formulations.

The candidate should have a M.Sc. or equivalent degree (or thesis submitted) in the field of chemical engineering, organic technology, natural substances, or other related fields. On a basis of a thorough literature review, he/she should modify and develop efficient techniques for encapsulation of CO₂ extracts rich in bioactive substances and verify them experimentally. 

 

GRADUATE PROJECT in organic Chemistry /inorganic Chemistry 

Synthesis of ligands based on hetero-helicenes and synthesis of their complexes with transition metals for use in molecular electronics (OLED)

Supervisor: Ing. Jan Storch, Ph.D.

Department of Organic Synthesis and Analytical Chemistry

Institute of Chemical Process Fundamentals, AS CR, v. v. i.  16502 Prague 6 

The aim of this doctoral thesis will be the synthesis of suitable bidentate ligands based on heterohelicene skeleton that will be complexed with chosen transition metals (Ru, Ir) for use in preparation of molecular functional layers. Synthesis and the study of these new materials are directed towards the OLED systems with a prolonged lifetime and higher efficiency. The group is focused on synthesis and study of advanced carbon materials, especially aromatic systems.

The candidate should have an advanced knowledge of organic chemistry together with a basic knowledge of inorganic chemistry. The basics of spectral methods with emphasis on NMR spectroscopy are welcomed.

Required education and skills

·      Master degree in organic/inorganic chemistry;

·      systematic and creative approach to work;

·      team work ability.

GRADUATE PROJECT in organic Chemistry/ANALYTICAL Chemistry

Synthesis of chiral charge-transfer complexes with helicenes

Supervisor: Ing. Jan Storch, Ph.D.

Department of Organic Synthesis and Analytical Chemistry

Institute of Chemical Process Fundamentals, AS CR, v. v. i.  16502 Prague 6

The aim of this doctoral thesis will be the synthesis and characterization of charge-transfer complexes of helicenes with suitable chiral compounds based on donor-acceptor systems with potential utilization in chiral resolution of racemic helicenes into single enantiomers.

The candidate should have an advanced knowledge of analytical chemistry together with a basic knowledge of organic chemistry. The basics of spectral methods with emphasis of NMR and UV/VIS spectroscopy are welcomed. 

Required education and skills

·      Master degree in organic/analytical chemistry;

·      systematic and creative approach to work;

·      team work ability.

 

GRADUATE PROJECT in Chemistry and Technology of Fuels and Environment
Power Engineering in Chemical-Technological Processes

Speciation of sulfur compounds in producer (fuel) gas and possibilities of minimization of their concentrations

Supervisor: Prof. Václav Janda, Ph.D.

Supervisor (expert): Assoc. Prof. Karel Svoboda, Ph.D.

Environmental Process Engineering Laboratory

Institute of Chemical Process Fundamentals AS CR, v. v. i. 16502 Prague 6

Purity of the fuel gas from gasification of coal, biomass and waste plays an important role in its applications. Low content of sulfur compounds is one of the basic requirements for application of the gas in catalytic processes and in efficient production of electricity in high temperature fuel cells (SOFC). The study in the frame of Ph.D. program will have four basic goals:

1.   Development of reliable gas sampling for analyses for sulfur compounds in fuel gas.

2.   Determination of overall concentration of sulfur and sulfur compounds in fuel gas from gasification processes with medium or low concentrations of sulfur.

3.   Study of  basic effects of fuel (coal, biomass, waste) and conditions of gasification on the overall content of sulfur, speciation of sulfur compounds and on the minimization of COS and organic sulfur compounds formation.

4.   Suggestion of suitable conditions for gasification and suitable method for removal of low concentrations of sulfur compounds from producer gas.

 

GRADUATE PROJECT in CHEMICal Engineering

Diagnostics of two-phase flows in microchannels

Supervisor: Ing. Jaroslav Tihon, CSc.

Department of Multiphase Reactors

Institute of Chemical Process Fundamentals of the ASCR, v. v. i.

The aim of this project is an experimental investigation of the character of two-phase flow (gas/liquid) in microchannels. The mapping of different flow regimes will be carried out for various microchannel configurations (e.g. channel crossing, T-junction, sudden expansion). The electrodiffusion method, an original experimental technique developed in our department, will be used to determine the near-wall flow and to detect the characteristics of translating bubbles. A new type of microsensors will be prepared for this purpose by the application of photo-lithography. The visualization experiments using a top-level high-speed camera (Redlake) and the velocity field measurements by mPIV technique (Dantec) will bring additional information on the flow structure in microchannels.

The candidate should have a M.Sc. degree in chemical engineering or in a similar applied science field. He/she should possess experimental skill for a laboratory work and some basic knowledge of hydrodynamics. However, the enthusiasm for independent scientific work is the first principal requirement. The candidate will surely profit from our long-time experience in experimental (computer-controlled measurements with subsequent data processing in LabView) and theoretical (solving the complex hydrodynamic problems in MatLab or Mathematica) fluid mechanics.

Reference:

Tabeling P.: Introduction to Microfluidics. Oxford University Press (2005)

 

GRADUATE PROJECT in Physical Chemistry

Transport of condensable vapor in pores of inorganic membranes

Supervisor: Ing. Petr Uchytil, CSc

Department of Separation Process

Institute of Chemical Process Fundamentals of the ASCR, v. v. i.

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 occure. 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 practical 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.

GRADUATE PROJECT in Physical Chemistry

Mass transport in polymer membranes

Supervisor: Ing. Petr Uchytil, CSc

Department of Separation Process

Institute of Chemical Process Fundamentals of the ASCR, v. v. i.

The project is focused on the data acquisition for the mass transport description in polymer membranes during pervaporation and vapor permeation of binary mixtures. At first the flux of pure components will be measured. After that, the pervaporation and vapor permeation of binary mixtures will be studied, namely systems alcohol-water. Mutual influence of both permeated substances will be evaluated. New apparatus with mass spectrometer detector will be used for the experiments. The possibility to influence the efficiency of the separation process by addition of appropriate substance will be experimentally verified.

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

 

GRADUATE PROJECT in CHEMICal Engineering

Effect of surfactants on the break-up of bubbles/drops in a turbulent flow

Supervisor: Ing. Jiří Vejražka, Ph.D.

Department of Multiphase Reactors

Institute of Chemical Process Fundamentals of the ASCR, v. v. i., 165 02 Prague, Czech Republic

Surface-active agents (surfactants) are compounds, which strongly modify the properties of liquid-gas or liquid-liquid interfaces. Surfactants are commonly present in many systems, either intentionally added or as impurities. The addition of even a trace amount of surfactants strongly modifies the behavior of multiphase flows; e.g. the rise velocity of bubbles can decrease to less than half of the value found in pure liquid, although the change of common physical properties (densities, viscosities and interfacial tension) might not be measureable.

When designing industrial units, the multiphase flows (e.g. the flow of water-crude oil mixture) are often simulated by using population balance modeling (PBM) methods, which compute the evolution of bubble/drop size distribution. A required input of the PBM method is a model, which predicts the amount of bubbles/drops, which will be broken up into smaller particles. The break-up process is strongly influenced by the eventual presence of surfactants.

The project aim is to deliever experimental data on the break-up of bubbles and drops in the turbulent flow with a focus on the effect of surfactants. The applicant will characterize the turbulent flow within an existing experimental setup (PIV method) and follow the bubble/drop break-up by the use of computer processing of high-speed movies. A predictive model for the conditions, under which the break-up occurs, should be the output of the thesis. The applicant (preferably chemical or mechanical engineer) should not be afraid of experimental rigs, computers or simple programming.

 

GRADUATE PROJECT in Physical Chemistry/cHEMICAL ENGINEERING

A comprehensive field study on the indoor/outdoor

aerosol particle size distribution

Supervisor: Ing. Vladimír Ždímal Dr.

Expert Supervisor: Ing. Jakub Ondráček, Ph.D.

Department of Aerosol and Laser Studies

Institute of Chemical Process Fundamentals of the ASCR, v.v.i., CZ-16502, Prague 6

Objectives: to evaluate indoor/outdoor (I/O) relationship of aerosol particle concentrations in dependence on variable I/O conditions including the effect of temperature and relative humidity on indoor particle transformation.

Tasks and methodology:

• Intensive field and laboratory study of I/O particle size distributions using Scanning Mobility Particle Sizer and Aerodynamic Particle Sizer

• Changes in particle size and hygroscopicity caused by ammonium nitrate evaporation determined using CToF-AMS and H-TDMA.

• Physico-chemical transformations of I/O particles analysed by aerosol dynamics models.

Requirements:

MSc degree (or equivalent) in Physical Chemistry, Chemical Engineering, Atmospheric Physics, Geosciences, Experimental Physics or similar field

Fluency in oral and written English

EU or outside EU citizens, who spent less than 12 months in the Czech Republic during last 3 years