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Chemical and Process Engineering
Doctoral Programme,
Faculty of Chemical Engineering
The PhD study programme Chemical and Process Engineering aims on the education of experts with a wide range of knowledge and skills for both academic and industrial applications. The students learn in detail theoretical basis of chemical and process engineering, bio-engineering and material engineering as well as experimental and practical aspects of the field. This will create prerequisites for their further career in the basic or applied research in chemical and process engineering but also in the related areas, such as material engineering, bio engineering and informatics. CareersGraduates of this study programme gain the expertise in transport phenomena, thermodynamics, reaction engineering, continuum fluid mechanics, material engineering and chemical-engineering aspects of environmental protection. Specialized knowledge includes applied informatics, mathematical modeling, numerical methods, non-linear dynamics and programming for scientific and technical computations. The graduates find jobs in applied research and development in chemical, pharmaceutical, bio-engineering and advanced material industry, including management of the research and development. The graduates are also successful in academic work at technical universities, research institutes and academies of sciences. Programme Details
Vypsané disertační práce pro rok 2025/26CO2 capture. Industrial process optimization.
AnnotationCO2 capture belongs to frequent industrial needs, both in the cases of low concentration CO2 removal from waste gases and in the cases of main process streams, e.g., in hydrogen production, when high CO2 amount/concentration is to be removed. Just the last example represents the process, which the PhD thesis will be focused to. In the premises of Unipetrol company, the CO2 capture unit is presumed to be permanently optimized. In accordance with the needs of the industrial partner, the experimental research goals will involve i) durability / degradability of the solution currently used in the process, ii)absorption efficiencies and selectivities (H2S/CO2) of new absorbents and iii)the influence of low concentration admixtures, e.g., Fe, Ni and V metals, on the CO2 capture efficiency. The PhD student will acquire valuable experience of industrial area life because he/she will be able independently act in the Unipetrol premises, will cooperate with industrial research department UniCRE and will find here both well-equipped laboratories and experienced consultants. The studet's scholarship will be supplemented through the funds obtained by industrial cooperation as the contract with Unipetrol co. (No. 2362 409 004) is.
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Study place:
Department of Chemical Engineering, FCE, VŠCHT Praha
Particle informatics
AnnotationDrug substances are typically produced in the form of crystals. However, the properties of these crystals can vary dramatically when considering various polymorphs or multicomponent drug solid forms (i.e., salts or cocrystals). The goal of this project is to characterize the surface properties of the drug crystals utilizing the crystal structure. As a part of the project, the student will be involved in the preparation of drug solid forms of interest and their characterization using single-crystal XRD, followed by the solution of the crystal structure. The obtained information will be used to predict properties of the crystal surface in terms of molecules present on the surface, hydrophobicity/hydrophilicity of the surface, intermolecular interactions between molecules located on the crystal surface and to correlate these data with the properties of produced crystals (e.g., stability under elevated temperature or humidity, solubility or dissolution). Furthermore, we would extend the information about the crystal structure to the prediction of crystal-crystal interaction and their relation to the crystal flowability or prediction of bulk properties of crystals (e.g., hardness) and its relation to powder tabletability
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Study place:
Department of Chemical Engineering, FCE, VŠCHT Praha
Deep eutectic solvents for synthesis and separation of enantiomers
AnnotationDeep eutectic solvents (DESs) are composed of biodegradable and non-toxic chemicals, such as choline chloride in combination with glycerol or urea. These solvents present a promising way for the sustainable production of pharmaceuticals, enantiomers, and other specialty chemicals. DESs serve as versatile reaction media, enabling enantioselective enzymatic reactions, and are also effective as extraction solvents for the separation of chiral alcohols in non-aqueous systems. The primary objectives of the proposed project include: (i) Screening and identification of DESs for the selective separation of chiral alcohols from reaction mixtures. (ii) Development of microfluidic and millifluidic platforms for the synthesis and separation of chiral alcohols and other chiral compounds. (iii) Optimization of DES formulations and device design to achieve high-purity products in a continuous processing regime. Our laboratory is fully equipped to support experimental research in this area. The selected PhD student will actively contribute to grant-funded projects and is expected to participate in international scientific conferences to present research findings.
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Study place:
Department of Chemical Engineering, FCE, VŠCHT Praha
Diagnostics of two-phase flows in microchannels
AnnotationThe aim of this project is to experimentally investigate the character of two-phase (gas/liquid) flow in microchannels. The mapping of different flow regimes will be performed for different microchannel configurations (e.g., channel crossing, T-junction, sudden expansion) and different model fluids (Newtonian, viscoelastic, pseudoplastic). The electrodiffusion method, an original experimental technique developed in our department, is used to determine the liquid flow in the near-wall region and to detect the characteristics of translating bubbles. The visualization experiments with a high-speed camera and the velocity field measurements with the mPIV technique will provide additional information about the flow structure in microchannels. The candidate should have a Master's degree in chemical engineering or a similar applied science field. He/she should have experimental skills for laboratory work and some basic knowledge of hydrodynamics. However, enthusiasm for independent scientific work is the most important requirement. The candidate will certainly benefit from our long experience in experimental (computer-controlled measurements with subsequent data processing in LabView) and theoretical (solving complex hydrodynamic problems in MatLab or Mathematica) fluid mechanics.
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Study place:
Institute of Chemical Process Fundamentals of the CAS
Mixing dynamics and its effect on heat transport in granular materials
AnnotationThe PhD project focuses on the study of heat transport in granular systems during the mixing process. Its goal is to analyze the transport mechanisms in granular materials using numerical simulations and experiments. The combination of the Discrete Element Method (DEM), Computational Fluid Dynamics (CFD), and experimental validation provides a comprehensive insight into the system's thermal behavior. The research emphasizes the influence of mixing rotational speed, mixing intensity, and material properties on temperature changes and investigates the role of mechanical forces in heat transport. The results will contribute to a better understanding of transport processes in granular materials and may have implications for materials engineering, chemical industry, and energy systems. Required education and skills • Master's degree in chemical engineering, mathematical modeling, and computer science; • high motivation, willingness to learn new things; • team spirit.
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Study place:
Institute of Chemical Process Fundamentals of the CAS
Interactions of bubbles and droplets with vortex structures in liquids
AnnotationBubbles or droplets dispersed in a liquid are essential components of multiphase systems, which are commonly found in processes such as aeration, emulsification, or extraction. Understanding how these fluid particles interact with vortex structures is crucial for optimizing multiphase systems on an industrial scale. This dissertation focuses on numerical simulations of the interactions between fluid particles and defined vortices using advanced CFD methods. The project aims to develop models capable of predicting the dynamics and outcomes of these interactions, including the deformation of fluid particles, their potential fragmentation, vortex deformation, and changes in its energy characteristics. The research combines numerical simulations with experimental validation to provide a comprehensive perspective on the bubble/droplet vortex interface. The results could significantly contribute to the optimization of processes in the chemical, food, and energy industries. Required education and skills • Master's degree in chemical engineering, mathematical modeling, and computer science; • high motivation, willingness to learn new things; • team spirit.
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Study place:
Institute of Chemical Process Fundamentals of the CAS
Mathematical modeling of continuous-flow bioreactors and bioseparators
AnnotationMicrofluidic devices are characterized by a large surface-to-volume ratio. This can be used in the efficient separation of special chemicals using extraction, membrane and other processes. The separation of optically active substances, important pharmaceutical products or circular economy intermediates is a challenge for contemporary chemical engineering. Mathematical modeling can lead to a better understanding of the complex reaction-transport phenomena in such devices and to the design of efficiently operating microfluidic reactors and separators. The main goals of the proposed PhD project are: description of the kinetics of reactions catalyzed by free and/or immobilized enzymes in microreactors, development of a mathematical-physical description of mass and momentum transport in microseparators with an imposed electric and/or magnetic field, optimization of modular microreactors-separators in order to achieve a high degree of conversion and high separation efficiencies. The models will be studied using approximate analytical techniques and numerically using the COMSOL program. Our laboratory is equipped with powerfull workstations and PCs. It is assumed that the doctoral student will be involved in grant projects and active participate at international scientific conferences.
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Study place:
Department of Chemical Engineering, FCE, VŠCHT Praha
Membrane separation of fermentation primary products
AnnotationIn biotechnologies, batch processes are often used, in which living cultures/biomass are used. Metabolites produced by culture are often poisonous and can damage the culture itself, as an example of which can serve ethanol fermentation. In periodic processes, the initial periods including sterilizing, nutrient dosing, etc., used to be time consuming, financially burdening. Therefore, it is desirable to dedicate an effort to develope continuous performance of such processes. One of the operations ensuring the process continualization can be membrane separation. This case brings the necessity of two membranes modules: i) microfiltration to separate solid particles-biomass and ii) pervaporation to separate primary product of fermentation, e.g., ethanol, as mentioned above. The goal of this work is to experimentally develop two step membarne separation technique, including microfiltration and pervaporation, to be prepared for an interconnection with a fermenter. THe development will be conducted from the viewpoint of chemical engineering. The reached separation parameters (selectivity, permeability) will be investigated in dependency on the process parameters (pressure, flowrate, temperature, feed composition). Chemical engineering quantities (membrain polarization module, mass transfer coefficient,...) will be used to describe these dependencies. At the workplace the new membrane modules are available, which were purchased for the purpose of this development. The PhD student will get familier both with industrial membrane module and with the custom made one. In addition to being familiar with modern technologies introduced in industry, the PhD student will also work in the team of students and academic staff who are experienced in industrial cooperation. PhD study will prepare the student to obtain either qualified working position in industry or to be able systematically conduct further research from the viewpoint of qualified chemical engineer. Further information Assoc. Prof. Tomáš Moucha, UCT Prague, building B, room T02, email: tomas.mooucha@vscht.cz. Student's scholarship, according to the law valid from September 2025, will be supplemented by the research group's financial resources obtained through industrial collaboration, and by the resources by The Czech Science Foundation, when the project granted from January 2026.
Contact supervisor
Study place:
Department of Chemical Engineering, FCE, VŠCHT Praha
Modelling of fluid flow during processing of colloidal suspensions
AnnotationColloidal stability of suspensions (polymeric nanoparticles or proteins) is related to environmental parameters such as ionic strength, amount of surface-active agents, or level of shear rate. Furthermore, the presence of another phase of liquid or gas can negatively affect the stability of suspended particles. The flow field will be characterized by computational fluid dynamic (CFD) simulations of single and multiphase flow in stirred vessels with various impeller shapes typically used for aggregation of polymer nanoparticle suspensions or precipitation of proteins. The student will be involved in the buildup of computational mesh and simulation of flow (single phase or multiphase) using various approaches (Euler-Euler and Euler-Lagrange). Mesh independent results of fluid flow characteristics (i.e., maximal hydrodynamic stress, duration of high-stress exposure, mixing time) will be correlated with experimental data of aggregation/gelation time. For selected cases, the modelling of the aggregation process of suspended particles will also be implemented in the CFD.
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Study place:
Department of Chemical Engineering, FCE, VŠCHT Praha
Optimization of HME process and formulation of amorphous solid solutions
AnnotationAmorphous solid solutions (ASSs) are used to improve the dissolution rate of poorly soluble drugs. Despite their metastable nature, which commonly leads to a higher dissolution rate, the selection of suitable polymers and the optimization of the ASSs production process is a rather complicated task. To reduce the time and material requirements, in the proposed project, we plan to start with the screening of suitable polymers leading to solubility enhancement of the selected drug. In the next step, we will perform rheological characterization of the mixtures of promising polymers and selected drugs. This will consist of polymer-drug powder rheology and polymer-drug melt rheology measurement, resulting in the identification of critical process parameters of hot-melt extrusion (HME), i.e., powder flowability in the feeder, maximum feeding rate of the powder mixture into the extruder, minimum melting temperature of the polymer-drug mixture, maximum drug loading in the polymer-drug melt, viscosity of the polymer-drug melt and possible conditions for drug or polymer degradation. Since rheological measurement is fully automated and requires only a fraction of the material than HME itself, the proposed method will allow a significant reduction of time and material requirements for the optimization of HME. Obtained data will be used to construct dimensionless characteristics of the HME process suitable for easy setup of the process parameters and process scale-up. While HME is commonly used for the production of ASSs in the form of filaments, which are consequently milled into particles to be used in the final drug product, in the proposed project, we plan to extend the formulation of ASSs in the form of films or spherules. Taking advantage of HME as a continuous process, in the following step, we would extend this capability towards film formation or production of spherical particles. On-line Raman spectroscopy will be used to control the quality of the final product. This will be combined with off-line characterization (i.e., XRD, DSC, NMR, IDR measurement) to ensure the production of stable ASSs with enhanced drug dissolution rate.
Contact supervisor
Study place:
Department of Chemical Engineering, FCE, VŠCHT Praha
Gas - Liquid Mass Transfer. Experimental comparison of various apparatuses performance - Cotutelle with UNIPA
AnnotationThe volumetric mass transfer coefficient (kLa) plays a crucial role in industrial design in the case of the process controlled by gas–liquid mass transfer. Prediction of kLa is nowadays mostly based on literature correlations. Our research goal is to establish suitable kLa correlations for different types of devices that would be based on the experimental dataset. The PhD thesis aim at the comparison of various gas-liquid contactor types from the viewpoint of their mass transfer efficiency. The suitable correlations will be developed that would be viable for mechanically agitated gas–liquid contactors and also for pneumatically agitated gas–liquid contactors such as airlift reactor. Student's scholarship, according to the law valid from September 2025, will be supplemented by the research group's financial resources obtained through industrial collaboration, and by the resources by The Czech Science Foundation, when the project granted from January 2026.
Contact supervisor
Study place:
Department of Chemical Engineering, FCE, VŠCHT Praha
Controlling of drug crystal properties during crystallization
AnnotationActive Pharmaceutical Ingredients (APIs) are commonly small molecules that are used in the form of particles prepared by the crystallization process. Properties of prepared crystals (i.e., physico-chemical but also formulation properties) are strongly dependent on the used drug solid form, their size, and crystal morphology. The process of spherical crystallization results in the formation of crystals assembled into spherical particles. The goal of this project is to investigate the possibility of using this procedure for the preparation of crystalline drug particles of various polymorphs and multicomponent solid forms (i.e., cocrystals) or even conglomerates containing multiple drugs in a single spherical particle. In addition, the process will be optimized to be operated in a continuous mode. Furthermore, the students will also be involved in the automation of the whole process consisting of the mixing of crystalizing streams containing a drug (drugs) and excipients but as the operation of the stirring unit where spherical crystallization is taking place using process analytical technology (characterization of particle size, shape, and composition). Obtained particles will be characterized by several analytical methods (i.e., SEM, XRD, DSC, NMR, measurement of the dissolution rate of a single particle) and their properties will be compared to those measured for crystalline particles of drugs prepared by classical cooling crystallization.
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Study place:
Department of Chemical Engineering, FCE, VŠCHT Praha
Separation of organic vapors and gases with tailored membranes
AnnotationPoly(ionic liquid)s, metal-covalent organic frameworks and planar nanoparticles, carbon or otherwise, are breaking new ground in improving the separation capabilities of polymer membranes for the separation of gases and organic vapors. This kind of functionalization of polymers also leads to the suppression of negative phenomena such as plasticization and aging that limit the use of a new generation of polymeric materials with excellent separation properties. The aim of this work is to investigate the effect of the type and amount of functionalization on the transport-separation parameters and the structure of membranes. The study of the transport and separation properties will be carried out using automated systems to measure the permeation of gas and organic vapor mixtures. Also, the possibilities of predicting transport parameters using physical models and machine learning methods will be explored. Required education and skills: • Master degree in Chemical Engineering, Physical Chemistry or any relevant field; • interest in science, willingness to do experimental work and learn new things; team work ability.
Contact supervisor
Study place:
Institute of Chemical Process Fundamentals of the CAS
Transport and sorption of gases in heterogeneous systems
AnnotationThe PhD project focuses on the study of gas sorption processes in heterogeneous systems using numerical simulations (CFD) and experimental methods. The aim is to analyze in detail the mechanisms of sorption, transport, and interaction of gases within non-homogeneous structures. The combination of CFD modeling and experiments will provide a comprehensive perspective on sorption kinetics, the influence of material structure, and gas transport mechanisms. The research investigates changes in sorption behavior as a function of material properties, temperature, pressure, and system geometry. Emphasis is placed on the characterization of sorption mechanisms and their impact on gas transport in heterogeneous environments. The study aims to deepen the understanding of sorption processes and to optimize them for applications in environmental technologies, gas storage, catalysis, and separation processes. Required education and skills • Master's degree in chemical engineering, mathematical modeling, and computer science; • high motivation, willingness to learn new things; • team spirit.
Contact supervisor
Study place:
Institute of Chemical Process Fundamentals of the CAS
The influence of adhesive forces on the behavior and interactions of particles in granular materials
AnnotationThe PhD project focuses on the influence of adhesive forces on the behavior and interactions of particles in granular systems. The goal is to analyze in detail the impact of adhesion on the dynamic behavior of particle structures using numerical simulations and experiments. The research combines the Discrete Element Method (DEM) with experimental validation to provide a comprehensive perspective on adhesive phenomena in particle systems. The study examines the effects of adhesive forces on particle aggregation, clustering, and mechanical behavior, taking into account material properties, surface energy, and external conditions. The focus is on the characterization of adhesive mechanisms and their impact on the macroscopic behavior of particle structures. The research results can contribute to a deeper understanding of adhesion mechanisms and their application in materials engineering, the pharmaceutical industry, and nano-/microtechnologies. Required education and skills • Master's degree in chemical engineering, mathematical modeling, and computer science; • high motivation, willingness to learn new things; • team spirit.
Contact supervisor
Study place:
Institute of Chemical Process Fundamentals of the CAS
Effect of interfacial properties on dynamics of bubbles
AnnotationMultiphase systems consisting of a gas phase dispersed in a liquid environment are omnipresent in nature and in living systems. Gas-liquid contact is also responsible for the success of many industrial processes, such as flotation, or aerated reactors. Surfactants, SAS, with their ability to lower the interfacial tension between gas-liquid phases, alter the behavior of many multiphase processes, and for many systems, the characterization of the interface by surface tension alone is not enough and less conventional measurements of surface rheology and SAS adsorption/desorption characteristics are crucial. The aim of this work is to determine experimentally the influence of surfactants on the dynamics of processes with bubbles (movement, dissolution, coalescence, etc.) and to characterize selected SASs by measuring relevant physico-chemical and transport properties. The typical work will include measurements of interfacial rheology, observations of bubble dynamics by high-speed camera, but also building single-purpose experimental equipment and physical interpretation of results. Required education and skills • Master degree in chemical or mechanical engineering or in physical chemistry; • Systematic and creative approach to scientific research, teamwork ability.
Contact supervisor
Study place:
Institute of Chemical Process Fundamentals of the CAS
Utilization of inter-and intra-molecular interactions in modelling of drug-polymer systems
AnnotationInterparticle interactions play a significant role during the process of micelle formation, stabilization of nanoparticles during antisolvent precipitation, stabilization of drug molecules in supersaturated solution during drug dissolution, or even in the process of selection of suitable polymers to prepare amorphous solid dispersion. In this thesis, we would like to utilize quantum mechanics and all-atom molecular dynamic simulations to tackle the above-mentioned challenges. The first studied system will contain a selection of suitable polymers to prepare an amorphous solid solution (ASS) with the selected drug while maximizing the long-term stability of ASS. In addition, we plan to study the interaction of selected polymers with a drug in a water environment to maximize drug solubility and prevent drug precipitation from supersaturated solution. The second studied system will consist of surfactant molecules (both synthetic and natural) in a water environment where we plan to study the impact of concentration of surfactant molecules, length of hydrophobic and hydrophilic chains, presence of ionic strength or temperature variation on the formation of micelles/surfactant molecule coils. Particular attention will be considered when drugs are added to this system, where the goal will be to understand the solubilization of drug molecules in the surfactant micelles. Obtained results will be compared with available experimental data containing the solubility of the drug in a polymer, time evolution of drug concentration in the supersaturated solution stabilized with polymer, or permeation measurement of drug molecules in the presence of surfactants and polymers. Simulations will start from quantum-chemical calculations of the COSMO-RS type to enable the first and relatively quick qualitative estimation of Hansen's solubility parameters and can thus serve in the initial screening of suitable polymers. In the next step, molecular dynamic simulations will be used to simulate the polymer-drug affinity in a real system arrangement (ideally including basic experimental knowledge).
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Study place:
Department of Chemical Engineering, FCE, VŠCHT Praha
Application microfluidic devices to study interdisciplinary problems in fields of chemical engineering and medical diagnostics
AnnotationMicrofluidic devices play a key role in bridging the fields of chemical engineering and medicine, enabling interdisciplinary exploration. These miniaturized systems manipulate small fluid volumes, offering precise control for studying biological processes and drug delivery. In chemical engineering, microfluidics aid in optimizing reactions, enhancing process efficiency, and developing advanced materials. Simultaneously, in medicine, these devices facilitate intricate analyses of cells, biomolecules, and disease mechanisms. This thesis will address the integration of microfluidic devices to study the progression of chemical and biological processes in field of personalized medicine and diagnostics. The candidate should have an interest in chemistry or biochemistry and has good relation to experimental laboratory work to perform tests with microfluidic devices, as well as with data acquisition and evaluation. To complete the delegated tasks, the personal abilities such as independence, creativity, open mind and team work skills will be required.
Contact supervisor
Study place:
Institute of Chemical Process Fundamentals of the CAS
Application of microreactors to study gas phase catalytic reactions
AnnotationMicroreactors are promising devices that are increasingly finding widespread application in many chemical processes. Their advantage is that by a suitable microreactor design with respect to the studied process, their reaction space geometry allows to study reactions or test catalysts under conditions without mass and heat transport limitations. Therefore, the scope of the present topic is to study catalytic gas-phase reactions using microreactors in order to optimize the process. The work will include experimental laboratory tests with model reactions, data processing, mathematical description of kinetics and transport variables with the aim of designing the microreactor for the optimal course of the studied reaction and maximum spatial yield. The ideal candidate should have a strong knowledge of chemical and reaction engineering, as well as a positive attitude towards using data acquisition systems, data evaluation, and mathematical modeling. Independence, creativity, teamwork skills, a willingness to learn, and proficiency in the English language are also required for this role.
Contact supervisor
Study place:
Institute of Chemical Process Fundamentals of the CAS
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Updated: 9.2.2024 12:34, Author: Jan Kříž