Theoretical fundamentals of the use of chemical reactions for chemical analysis are extended especially with respect to the existence of systematic bias of analytical results. The first part is focused on the correct expression of measurement results. The second part is devoted to chemical equilibria in analytical chemistry (protolytic, complexation, precipitation and redox systems) that affect analyte behaviour in the aqueous environment with emphasize on graphical modeling of equilibrium composition. The last part is devoted to nonlinear regression and various tools for experimental data processing with the aim of equilibrium constants determination in aqueous solutions. In exercises, the students solve individually practical problems using simple algorithms.

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The course is focused on basic chemical-engineering calculations. Utilizations of equations of state and thermodynamic models which are implemented in chemical-engineering simulators are demonstrated. Theory background for calculations and basic equations are given in lectures. Computational skills are taught with the help of the Maple software. Real behaviour of fluids is usually considered in computational problems which are mainly focused on oil treatment.

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The course is designed for students of master's degree and is focused on practical application of advanced methods of physical chemistry.

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Content of the lectures is devoted to measurement methods and principles used in modern sensors for measurement of temperature, pressure, flow and total volume, level and for measuring of the composition of liquids and gaseous mixtures. Students will also learn about the signal processing. Laboratory exercises are focused on thermography, pressure transducers, heat measurement, gas and vapor concentration measurement in the atmosphere, including measurement of combustion emissions, sensor signal processing and wireless sensors.

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The course "Fundamentals of chemical engineering" introduces the students to basics of unit chemical operations and general approaches to solving chemical engineering problems.

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The course deals with methods for approximation of functions, derivatives and integrals, with methods for solving linear and nonlinear algebraic equations, with methods for solving ordinary/partial differential equations with initial and boundary conditions, and with methods for experimental data evaluation. By learning these numerical algoritmuss students will gain insight into problem formulation and develop the ability to derive a problem solution and estimate its accuracy. During the course, the student elaborates two individual projects.

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The subject includes general methods of analysis and processing of sequences of observed signals and images (http://uprt.vscht.cz/prochazka/pedag/ATHENSe.htm). Fundamental mathematical methods include discrete Fourier transform for analysis of multidimensional signals, z-transform for system description, selected statistical and numerical methods including the use of difference equations for the time-domain system description and design of digital filters. Algoritmic methods are implemented in the MATLAB and Simulink environment using both numerical methods and symbolic mathematics. Projects include the application of selected methods for biomedical signal and image analysis, environmental signal processing and energy data prediction.

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An overview of the estimation methods for the prediction of physico-chemical properties is given. The lectures include examples of applications of prediction methods in the chemical engineering practice, utilization of commercial quantum chemistry program packages for solving the problems of practical interest, and an overview of the software packages for automated estimation of physico-chemical properties.

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The course comprises fundamental terms related to structure and properties of molecules. Furthermore, the course brings a survey of basic concepts of molecular symmetry, electron structure, vibrational and rotational degrees of freedom, corresponding types of molecular spectra and related structural parameters. Moreover, the role of inner electrons is demonstrated. The relationships of both electron spin techniques and NMR spectroscopy including advanced multidimensional experiments to molecular structure and properties are discussed.

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Aim of the course is to familiarise students with experimental and/or theoretical methods used in particular research groups which will warrant the expectant's diploma thesis. Specific pojects will be assigned to students.

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The course should be interpreted as a continuation of the basic and advanced courses on chemical engineering with simultaneous application of knowledge from mathematics, thermodynamics and some other subjects. It could be taken as an introduction to process (chemical) engineering oriented to the utilization of tools, which are used in this field . Especially, system engineering as a common methodology for teh solution of various tasks concerning large systems. The main topic is simulation methods, which will be adopted by students also practically during the work with up-to-date simulation programs. Other themes comprise particular tools as balance calculations, optimization and proces syntheses. The course is completed with basic idea about process design, its goals, individual phases when designing a process and tools used for this purpose.

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The subject is focused on the analysis of behaviour of chemically reacting systems and design of chemical reactors. The students are introduced to basic concepts, mass and energy balances of reacting systems in steady and dynamic states. Further the students are acquainted with the analysis of heterogeneous reactions both catalytic and non catalytic together with chemical reactor models used in heterogeneous reaction applications. The important part of subject is the design of chemical reactor based on laboratory kinetic data.

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In the course, the knowledge of chemical kinetics acquired in the basic course of physical chemistry is expanded. The student will learn basic terminology of chemical kinetics, the methods for solution of kinetic reaction schemes and theoretical approaches for the estimate of rate parameters. The techniques of chemical kinetics will be applied to particular situations, e.g. to polymerization reactions or catalystic processes.

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Basic principles of selected statistical methods for analysing multidimensional data will be outlined with focus on reconciliation of the assumptions of the methods and interpretation of their results. Students will learn how to perform corresponding calculations in statistical software R.

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The course acquaints students with measuring instruments and procedures applicable in modern conception of environmental protection and its monitoring. The environment itself can be defined by three basic components – air, water, soil – their physical and chemical properties are discussed in detail. Students will also get acquainted with the basics of meteorology as a science describing the state of the Earth's atmosphere.

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The subject presents mathematical models of physiological neural networks and their optimization using evaluated and target values. Problems of global and local optima are presented on the error surface together with the least square method and gradient method for evaluation of optimal structure and network coefficients. Application include signal denoising, prediction and classification with the use in engineering and biomedicine.

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The subject is focused on understanding basic statistical methods and their applications in analytical chemistry and clinical biochemistry.

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Aim of the course is to familiarise students with experimental and/or theoretical methods used in particular research groups which will warrant the expectant's diploma thesis. Specific pojects will be assigned to students.

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The subject is oriented to develop practical skills of students in the formulation of model equations of various chemical-engineering problems, their arrangement in the form suitable for the solution by equation-oriented program and acquirement of practical skills with simulations. Program MATLAB is selected as the basic tool for the modeling and alternative freely-available programs working with the same syntax of model equations are mentioned.

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Thermodynamics of materials is an inseparable part of theoretical foundations of materials engineering. It deals with thermodynamic properties of solids and phase and chemical equilibria in heterogeneous systems. It allows to simulate various processes of materials preparation and treatment and so it contributes to better understanding of these processes and their optimization. This course proposes the above mentioned theme in slightly advanced form. Knowledge obtained within this course will be used in other materials related subjects in Mgr. study.

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Students will obtain basic knowledge of quantum-chemical principles, molecular dynamics, and computationas in chemistry, Spectroscopic methods and properties are emphasized, such as NMR and vibrational spectroscopy. The lecture is completed by exercises with computers.

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Physical motivation, definition, properties and application
of Fourier Transform, Discrete FT, Fast FT, 1-dim and higher dimensional FT,
Inverse FT, convolution and deconvolution, theory of distributions
(generalized functions), especially Dirac Delta Distribution
and Singular Value Decomposition are presented
with application in (audio and image) signal processing and in
infra-red spectroscopy.

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Control Theory course deals with basic principles and methods of feedback control of single-input single-output linear dynamic systems. Students are acquainted with mathematical basics of control theory, with methods of modelling and analysis of controlled and control systems, with important types of feedback controllers, with stability of control systems and with basic method of feedback control systems design in the time domain. All methods and procedures are used for solving of selected examples. For modelling, analysis and design of control systems and for solving of problems and projects is used Matlab system for computation and visualization.

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The purpose of Diploma Thesis is to prove students’ capability of dealing with the particular topic independently.
The description of applied methods and comprehensive evaluation of obtained results as well as consequent
discussion concerning these results are expected. The Thesis consists of the theoretical part, where students
perform literary (re)search sourcing mainly from scientific literature, chiefly from foreign origin. They improve their
theoretical background related to the topic of the thesis. The practical part of the thesis is experimental and
requires application of knowledge and skills acquired during previous studies and during the literary (re)search
mentioned above. The clear and relevant presentation of the obtained results, their comprehensive evaluation and
discussion held in the context of the current state of knowledge presented in the theoretical part form an integral
part of the thesis. Formulation of conclusions demonstrating that the aims of the thesis have been accomplished is
also required.

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