GRADUATE PROJECT IN PHYSICAL CHEMISTRY

Thermal properties of task-specific materials and the assessment of their energy storage potential

Supervisor: Ing. Magdalena Bendová, Ph.D.

Eduard Hála Laboratory of Separation Processes

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

Energy savings and a more sustainable utilization of energy sources may, among other, be reached through efficient energy storage. This requires a solid knowledge of the thermal properties of the utilized materials, be it phase-change materials (PCMs) or latent heat storage media. Therefore, thermal properties of selected task-specific materials and more specifically ionic liquids will be studied in the present doctoral thesis. Focusing on the experimental determination of the heat capacity and phase transitions, the energy storage potential of the studied materials will be assessed to propose the most promising ones.

Required education and skills

• Master degree in physical chemistry, physics, organic chemistry;
• 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

Environmental Process Engineering Laboratory

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.    

Církva V.: Microwaves in Photochemistry and Photocatalysis. V knize: 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

Chemistry of novel fluorous tags

Supervisor: doc. Ing. Jan Čermák, CSc.

Department of Analytical and Materials Chemistry

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

The aim of the project is the implementation of a new approach to the synthesis of highly fluorophilic compounds. Recently, in our group two novel fluorous tags were developed based on silicon-branched and carbon-branched wedges. Preliminary results showed that a broad spectrum of organic compounds could be made fluorophilic through attaching these tags to them which resulted in new materials like ionic liquids, organocatalysts, and ligands for transition metal complexes. Fluorophilicity data showed that in most cases the values were in the region suitable for practical applications.

Although considerable know-how has been accumulated in our group already, it is expected that the suggested synthetic approach will be further worked up systematically, novel materials will be made and their synthesis optimized or modified to reach the desired properties. Both synthesis and characterization of prepared substances by a wide variety of analytical techniques will constitute the most important part of the planned work. Therefore, the candidate should be at least briefly acquainted with them and also proficient in organic synthesis.

There is a good and versatile experimental equipment available and suitable for the proposed project.

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GRADUATE PROJECT IN ORGANIC TECHNOLOGY

Targeted modification of carbosilane dendrimers for bioapplication and material chemistry

Supervisor: Ing. Lucie Červenková Šťastná, 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 work is focused on the modification of carbosilane dendrimers for an application in material chemistry and bioscience. (The application studies will be provided in the collaboration with an allied external department). The first aim of the project would be to optimize the modification of external layer of previously prepared dendrimers of 1^st – 3^rd generation to reach the properties suitable for the particular application. The main goal would be the preparation of layered dendritic macromolecules for encapsulation of biologically active compounds with the lack of hydrophilicity. This requires the synthesis of amphiphilic structure, where the polar part guarantees solubility in water medium, and the non-polar moiety, which provides affinity to the substrate with low polarity. An important part of the work would be the careful analysis of dendritic compounds and their complexes with substrate by suitable technic (NMR, HRMS and GPC). The monitoring of substrate release from the complex will be also important. The work group is well equipped for the solution of the suggested 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 PHYSICAL CHEMISTRY

Purification of flue gas by membrane processes

Supervisor: Ing. Pavel Izák, Ph.D., DSc

E. Hála Laboratory of Separation Processes, Institute of Chemical Process Fundamentals of the CAS, v. v. i. CZ-165 02 Prague 6

Supervisor specialist: Ing. Jan Thomas, Ph.D.

Institute of Environmental Engineering, HGF, VŠB - TU Ostrava, 17. Listopadu 15, CZ-708 33, Ostrava

Recently it has been growing efforts to material recovery, recycling and environmentally waste-free approach to all areas industrial production. Membrane methods for cleaning flue gases will focus on three independent approaches. The first method is the use of highly permeable polymeric membranes with intrinsic microporosity. This new class of polymeric membranes is very promising for purification of gasses and we want to further develop this branch and determine under what conditions and with what effect these new membranes are capable of removing pollutants from flue gases. The second branch of our research will be focused on ionic liquids supported in polymer membranes. These polymer gels membrane are very permeable for CO₂ and SO₂ are therefore they are suitable as membranes for a wide range of applications. The structure of these membranes and its transport properties and at the same time a correlation between its structure and transport properties would be study in detail. 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 articles for the foreign periodic. 

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GRADUATE PROJECT IN CHEMISTRY AND TECHNOLOGY OF FUELS AND ENVIRONMENT / CHEMICAL PROCESSING OF FUELS AND ENERGETICS

Optimization of the gasification process in moving-bed reactors

Supervisor: Assoc. Prof. Michael Pohořelý, Ph.D.

Expert Supervisor: Siarhei Skoblia, Ph.D.

Environmental Process Engineering Laboratory

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

The combined production of electricity and heat in small and medium decentralized units is a possible resolution to the problem of energy and economic self-sufficiency of individual regions. Conversion of solid material (fossil and alternative fuels) to a mixture of combustible gases in the moving-bed generator in combination with its subsequent combustion in internal gas combustion engines allows for the electricity generation efficiency comparable to that of large heating plants operated in the Czech Republic at comparable specific investment costs.

This work is aimed at optimizing moving-bed generators with the focus on improving the efficiency of the gas production process, improving its quality (reducing of unwanted components) and reducing operating costs through both adaptations and modifications of individual parts of the existing structure of the generators, and the determination of its key critical operating parameters.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING

Multi-phase flow simulations with FLUENT solver

Supervisor: Doc. Ing. Marek Růžička, DSc.

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.

Requirements

• 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 ORGANIC TECHNOLOGY

Determination of transport properties of porous media with tailored microstructure

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 methods. As an integral part of the exact interpretation and evaluation of the primary experimental data detailed mathematical description affecting all transport phenomena occurring in pores of the tested samples has to be also compiled. The obtained transport parameters will be compared with characteristics from standard texture analysis.

Required education and skills

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

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GRADUATE PROJECT IN CHEMICAL ENGINEERING / INORGANIC TECHNOLOGY

Kinetic study of complex chemical reactions for design of 3D printed catalytic reactors

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

This thesis proposal aiming at the kinetic study of a model reaction and a kinetic model determination. The kinetic model will be used the 3D printed reactor design. The work will consist in the performing of experimental tests with an interesting and innovative catalytic system, collecting and evaluating of data in order to determine a reaction kinetic model. The candidate will be practically trained in the processes of 3D printing starting from the computer design to the object printing.

The candidate should have a good knowledge of chemical and reaction engineering, organic chemistry and good computer skills that are necessary for work with data acquisition and evaluation systems as well as with mathematical modelling software (LabVIEW, Matlab).  The study will be performed in frame of an EU project: PRINTCR3DIT. The candidate will have a unique opportunity to work within an international team consisting of several partners from seven European countries. The selected candidate will participate in training and data collection at the industrial site of one of our foreign industrial partners. The selection of the candidate will follow the principle of gender equality.

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GRADUATE PROJECT IN ORGANIC CHEMISTRY

Synthesis and study of chiral helicene-based ionic compounds

Supervisor: Ing. Jan Storch, Ph.D.

Expert Supervisor: RNDr. Jaroslav Žádný, Ph.D.

Group of Advanced Materials and Organic Synthesis

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-derivatives [1] into suitable precursors for chiral helicene-based ionic compounds synthesis (e.g. 1, 2, 3). Such molecules will served for preparation of functional layers [2] applicable in medical diagnostics. Simultaneously the interactions of these compounds with some 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.

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

The synthesis of layered dendrimers for bioaplications and material chemistry

Supervisor: Ing. Tomáš Strašák, PhD

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 the synthesis of new layered dendrimers for applications in materials science and in biosciences (the actual applications will be carried out in collaboration with an external partner). The inner hydrophobic carbosilane core will be linked to an outer layer (peripheral generation of the dendrimer) which will secure sufficient hydrophilicity of the macromolecule and in addition to that will perform other functions according to the needs of the particular application. Quarternary onium groups, modified poly(ethyleneglycols), and various saccharide derivatives will be tested among others as components of the outer layer. Thorough analysis of the products with the help of appropriate techniques (NMR, HRMS, GPC etc.) will also constitute an organic part of the 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

Synthesis of extended polyaromatic systems for optoelectronics

Supervisor: Ing. Jan Sýkora, Ph.D.

Expert Supervisor: Ing. Jan Storch, Ph.D.

Group of Advanced Materials and Organic Synthesis

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 development of synthesis, structural characterization and a study of properties of extended polyaromatic [n]helicenes 1 and [n]phenacenes 2 (n > 16). Synthetized molecules will be used for preparation of functional layers, in the case of helicenes with the emphasis on their unique optical properties (CPL OLED, CPL OFET). Simultaneously, electrochemical properties and self-assembling on substrates (metals) will be intensively studied.

Required education and skills

• Master degree in organic chemistry or technology;
• systematic and creative 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.

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

Hydrodynamic behaviour of bubbles in thin slot channels

Supervisor: Ing. Jaroslav Tihon, CSc.

Department of Multiphase Reactors

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

The aim of this project is an experimental investigation of the character of two-phase flow (gas/liquid) in thin slot channels with variable geometries. The mapping of bubble shapes and translating velocities will be carried out and the flow in a liquid film separating the bubble from the wall will be characterized. 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 prepared by the photolithography will be used for this purpose. The visualization experiments using a top-level high-speed camera (Redlake) and the velocity field measurements by PIV 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.

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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 Department 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 Department 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.

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

Determination of structure-property relationships in heat capacity of ionic liquids by means of artificial neural networks and mathematical gnostics

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

Energy storage in general and heat storage in particular are becoming increasingly important processes as we strive towards more efficient energy utilization. In this work, ionic liquids are considered as promising heat storage materials with remarkable flexibility and suitable thermal properties. However, to design novel heat storage materials based on ionic liquids, knowledge of their structure-property relationships for their thermal properties is essential. For this purpose, heat capacity data available in the literature will be analyzed by means of artificial neural networks combined with mathematical gnostics. Combination of these two novel mathematical techniques has not been extensively studied so far. A model to predict the heat capacity of ionic liquids will be then proposed.

Required education and skills:

• Master degree in physical chemistry, physics, or organic chemistry;
• good knowledge of mathematics including mathematical statistics;
• programming skills, experience with Linux is advantageous;
• 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 technique 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.

Expert 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 particle 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 neigbourhood. The doctoral student is supposed to study these phenomena using advanced methods of aerosol instrumentation including on-line chemical and physical characterisation of particles by aerosol 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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GRADUATE PROJECT IN MEDICALS AND BIOMATERIALS / CHEMICAL ENGINEERING

Aerosol behavior after inhalation – an experimental study

Supervisor: Ing. Vladimír Ždímal, Dr.

Expert 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.

Reference:

Harrison R. M., van Grieken R.E.: Atmospheric Particles, John Wiley, New York, 1998.

Seinfeld J. H., Pandis S. N.: Atmospheric Chemistry and Physics, John Wiley, New York, 1998.

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GRADUATE PROJECT IN CHEMICAL ENGINEERING / PHYSICAL CHEMISTRY

Experimental study of condensation processes

Supervisor: Ing. Vladimír Ždímal, Dr.

Expert 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

Condensation, thus the formation of stable droplets from the original gas mixture, is crucial for many natural and industrial processes. For the model description of the condensation process are most suitable mixtures which are sufficiently simple and yet are related to real condensing systems. Examples of such mixtures may be the water vapor in the air with the addition of a trace amount of sulfuric acid (acid rain).

The proposed work will examine the kinetics of the condensation process in various model systems. According to the chosen system one of the methods available in aerosol laboratory will be used in the study: a) static diffusion chamber; b) laminar flow diffusion chamber; or c) laminar co-flow tube.

Profile of the applicant:

• physical chemist, chemical engineer, physicist, meteorologist...
• courage to do experimental work
• motivation to learn new things

Reference:

Brus D., Hyvärinen A.-P., Ždímal V., Lihavainen H.: Homogeneous Nucleation Rate Measurements of 1-Butanol in Helium: A Comparative Study of a Thermal Diffusion Cloud Chamber and a Laminar Flow Diffusion Chamber. J. Chem. Phys. 122(21), 214506 (2005).

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