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Thermodynamic modelling of hydrogen fuel cells
Nováček, Marek ; Pavelka, Michal (advisor) ; Němec, Tomáš (referee)
In this thesis, proton exchange membrane fuel cells are studied. At the beginning, the ideas underlying their function are exposed and some possibilities of usage are pre- sented. Thereafter, we aim to describe the processes inside the fuel cells with the aid of thermodynamics and in agreement with constitutive relations that have been obtained experimentally. Namely, we are interested in the fluxes of water and protons inside the membrane, where they are acted upon by thermodynamic forces, and the electrochemical reactions at the electrodes, which can be described by the Butler-Volmer equations. Also do we study the efficiency of the fuel cell by evaluating the production of entropy due to the diverse processes that take place in the fuel cell. It is the goal of the computational part of this thesis to propose a zero-dimensional model and compare it with the results provided in the supervisor's doctoral thesis. 1
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Thermodynamic modeling of rolling fluid turbine
Kincl, Ondřej ; Pavelka, Michal (advisor) ; Hron, Jaroslav (referee)
in English Ondřej Kincl 21 May 2020 Rolling turbine is a small hydraulic turbine invented by Doc. Ing. Miroslav Sedláček CSc. in 1998. This turbine is bladeless, exhibits various interesting behaviour and operates on the basis of a yet unknown hydraulic principle. This thesis attempts to find an explanation using incompressible Navier- Stokes equations. We will introduce the concept of drag inversion - the idea that fluid force in rolling turbines is a positive feedback to the motion itself. This is explained in a simplified model using analytical methods. These results are then verified in a numerical simulation.
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Hamiltonian and thermodynamic theory of solids and fluids
Sýkora, Martin ; Pavelka, Michal (advisor) ; Klika, Václav (referee)
The standard approach to modelling mechanics of continuum based on bal- ances of mass, momentum, angular momentum and energy is a very powerful tool. However, there is no connection between that and the Hamiltonian mechanics, that superbly describes kinematics of isolated particles. Thus, the two topics are rather isolated. Nevertheless, there is another approach to continuum mechan- ics - a one, whose reversible part is based on Hamiltonian mechanics, while the irreversible is generated by a dissipation potential. This framework, called GENERIC, is thus an interesting bridge between con- tinuous and discrete systems. In this thesis, we present the GENERIC framework applied to a continuous body, derive the governing equations and compare them to the standard theory. Both analytical and numerical solutions to a decent range of model examples are presented and analysed.
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Modelling of heterogeneous catalytic reactions in chemical reactors
Orava, Vít ; Hron, Jaroslav (advisor) ; Pavelka, Michal (referee) ; Růžička, Marek (referee)
This thesis consists of two parts discussing modelling of heterogeneous catalytic reactors. In the first one, an industrial prototype of a fluidized bed reactor serving as a hydrogen generator based on endothermic decomposition of formic acid is studied. After initial determination of the main reactor characteristics a system of nine con- stituents is derived and, consequently, reduced to a three phase flow. The solid and bubble particles immersed in a liquid are modelled by the Basset-Boussinesq- Ossen equation. Furthermore, an averaging technique is used to derive a three phase Euler-Euler model. Finally, numerical computations with a verification towards the measurements and a CFD analysis are proceeded. The second part discusses interfacial transport phenomena between a bulk and catalytic surfaces of a reactor mediated via the boundary conditions. The constitu- tive relations, that by construction comply with the second law of thermodynamics, follow from the specification of suitable thermodynamic potentials together with an identification of the bulk and surface entropy productions. The derived model is suitable for further analysis providing clear guidelines for the incorporation of the Langmuir-type adsorption model as well as other sorption models. Keywords: Heterogeneous catalysis, multi-phase...
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Modeling of porous metal oxide layer growth in the anodization process
Habera, Michal ; Hron, Jaroslav (advisor) ; Pavelka, Michal (referee)
Under suitable conditions anodic metal oxidation leads to growth of complex porous structures. The initiation and growth of these structures is an interesting and challenging task for electrochemical modelling. One must identify chemical reactions in a multi-phase framework, derive a proper partial differential equations and solve them in time dependent domains. In this work, electrochemical model for the oxide growth in nano scales is presented. Physically motivated equations are formulated with precise mathematical meaning and existence of solutions is studied. Electrostatic potential fulfilling high-field conduction law and interfacial jump conditions is sought for. Numerical discretization is performed with the use of finite element method and free boundaries are tracked with characteristic level-set functions. Basic mechanism governing the growth of porous structures is given and numerical experiments are explained on it's basis. This thesis presents novel contributions to the electrochemical and mathematical picture of nanopores growth.
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Simulation of two-dimensional flow past obstacles using lattice-gas cellular automata
Tomášik, Miroslav ; Scholtz, Martin (advisor) ; Pavelka, Michal (referee)
Cellular automata constitutes a unique approach to the modeling of complex systems. The major phase of their development in continuum mechanics came in the late 80s, but the closer inspection of their macroscopic limit revealed that it does not accurately correspond to hydrodynamic equations. Besides the Lattice-Boltzmann model, various other approaches to improve LGCA have emerged. The main focus of our research is on the Pair-interaction cellular automaton. In this thesis, we propose the non-deterministic variant of this automaton, and we compare it with its predecessor on the simulations of the "exploding cube", Taylor- Green vortex and fully developed turbulence. The results for the non-deterministic automaton seem quiet reasonable, but derivation of the hydrodynamic equations is necessary to conclude in what extent it solves the problem with anisotropic viscosity.
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Thermodynamic analysis of processes in Hydrogen fuel cells.
Pavelka, Michal
Non-equilibrium thermodynamics, which serves as a framework for formulating evolution equations of macroscopic and mesoscopic systems, is briefly reviewed and further developed in this work. For example, the relation between the General Equation for the Nonequilibrium Reversible- Irreversible Coupling (GENERIC) and (ir)reversibility is elucidated, and Onsager-Casimir reciprocal relations are shown to be an implication of GENERIC. Non-equilibrium thermodynamics is then applied to describe fuel cells and related devices, and theoretical conclusions are compared to experimental data. Moreover, a generalization of standard exergy analysis is developed bringing a new method for revealing a map of useful work losses in electricity producing devices. This method requires a non-equilibrium thermodynamic model, and so the general theory of non- equilibrium thermodynamics and optimization of real power generating devices stand side by side.
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Thermodynamic analysis of processes in Hydrogen fuel cells.
Pavelka, Michal ; Maršík, František (advisor) ; Grmela, Miroslav (referee) ; Sciacovelli, Adriano (referee)
Non-equilibrium thermodynamics, which serves as a framework for formulating evolution equations of macroscopic and mesoscopic systems, is briefly reviewed and further developed in this work. For example, the relation between the General Equation for the Nonequilibrium Reversible- Irreversible Coupling (GENERIC) and (ir)reversibility is elucidated, and Onsager-Casimir reciprocal relations are shown to be an implication of GENERIC. Non-equilibrium thermodynamics is then applied to describe fuel cells and related devices, and theoretical conclusions are compared to experimental data. Moreover, a generalization of standard exergy analysis is developed bringing a new method for revealing a map of useful work losses in electricity producing devices. This method requires a non-equilibrium thermodynamic model, and so the general theory of non- equilibrium thermodynamics and optimization of real power generating devices stand side by side.
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Termodynamická analýza procesů v polymerní elektrolytické membráně palivového článku
Pavelka, Michal ; Maršík, František (advisor) ; Málek, Josef (referee)
Thermodynamic analysis of processes in electrolytic fuel cell membrane Michal Pavelka April 12, 2012 Abstract Hydrogen fuel cells1 may become a key technology of 21st century, and it is important to be able to describe their behavior, therefore. In this work we focus on hydrogen fuel cells with a polymer-electrolyte membrane. For the membrane we adopt an existing model2 . We for- mulate the model in the framework of the mixture theory which we develop similarly as has been done in the classical textbook of Mazur and de Groot3 . However, refining the concept of potential energy of a material point, we introduce new terms called internal potential ener- gies which enable us to describe macroscopic consequences of internal forces between water and polymer in the membrane and to describe the influence of gradient of surface tension of water in the membrane. We solve the model in 1D approximation. Consequently, we calculate the influence processes in the membrane have on efficiency of the fuel cell. 1 see for example Larminie, J. and A. Dicks. Fuel Cell Systems Explained. 2nd edition. John Wiley & Sons Ltd., 2003. ISBN 0-470-84857-X. 2 Weber, A. Z. and J. Newman. Transport in Polymer-Electrolyte Membranes I, II, III. J. Electrochem. Soc., 150 (7), A1008-A1015, 2003; 151 (2), A1311-A1325, 2004.; 151 (2), A1326-A1339,...
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