Práce se zabývá vlivem disipativních proces· v mezních vrstvách, konkrétně vlivem viskozity tekutiny a dále vlivem difúze vodní páry ve vzduchu na vznik sil p·sobících na obtékaná tělesa. Z Croccovy věty plyne, že gradient entropie má sv·j podíl na vzniku cirkulace a d·sledkem toho i na vznik vztlakové síly. Práce zkoumá vznik vztlakové síly při obtékání rotujícího válce, v soft- waru FEniCS modeluje tuto situaci, porovnává s modelem nevazké nestlačitelné tekutiny a následně i s experimentem provedeným Ing. Zdeňkem Trávníčkem a Ing. Zuzanou Broučkovou. Taktéž zkoumá vznik vztlakové síly při vypařování na horní straně válce a srovnává s případem rotujícího válce. 1

The present work seeks to fully investigate, describe and characterize the distinct flow regimes existing within a mixing vessel at various rotational speeds. This investigation is computational in nature and simulates the flow within a baffled tank containing a Rushton turbine of the standard configuration. For a Re based on impeller diameter and blade rotational speed (Re â ¡ Ï ND2/μ) the following flow regimes were identified and investigated in detail: Reverse/reciprocating flows at very low Re (<10); stalled flows at low Re (â 10); laminar pumping flow for higher Re and transitional pumping flow (10 squared < Re <10 to the 4th). For the three Re numbers 1, 10 and 28, it was found that for the higher Re number (28), the flow exhibited the familiar outward pumping action associated with radial impellers under turbulent flow conditions. However, as the Re number decreases, the net radial flow during one impeller revolution was reduced and for the lowest Re number a reciprocating motion with negligible net pumping was observed. In order to elucidate the physical mechanism responsible for the observed flow pattern at low Re, the forces acting on a fluid element in the radial direction were analyzed. Based on this analysis, a simplified quasi-analytic model of the flow was developed that gives a satisfactory qualitative, as well as quantitative representation of the flow at very low Re. Investigation of the transitional flow regime (Re â 3000) includes a compilation and characterization of ensemble and turbulent quantities such as the Reynolds stress components, dissipation length η and time scales Ï , as well a detailed investigation of the near-impeller flow and trailing vortex. Calculation and compilation of all terms in the turbulent kinetic energy transport equation was performed (including generation and the illusive turbulent pressure work). Specifically, the most important transport mechanism was turbulent convection/diffusion from the impeller disk-plane/trailing vortex region. Mean flow transport of turbulent kinetic energy was primarily towards the impeller disk-plane and radially outward from the trailing vortex region. The turbulent pressure work was found to partially counteract turbulent convection. Turbulent dissipation followed by turbulent viscous work were found to be the least important mechanism responsible for turbulent transport with both terms being maximized within the vortex region and at the disk-plane down-stream from the vortices. / Ph. D.

Humic acids and humates are principal components of humic substances major organic constituents of soil, peat, coal and water around the world. I was involved in research into molecular dynamics simulations of interactions of quartz surfaces with aqueous solutions of ions and small organic molecules representing basic building blocks of larger biomolecules and functional groups of organic matter. We studied interactions of molecules with surfaces for a set of surface charge densities corresponding to the experimentally or environmentally relevant ranges of pH values employing molecular mechanics, molecular dynamics and ab initio techniques. Simulated quartz surfaces covered the range of surface charge densities 0.00, -0.03, -0.06 and -0.12 C-m-2, approximately corresponding to pH values 4.5, 7.5, 9.5 and 11. As model molecules, benzoic acid, phenol, o-salicylic acid and their conjugated bases were chosen. My task was to prepare topologies and parametric models of selected organic matter basic building blocks organic molecules. I focused on studying interactions of these molecules in an aqueous environment with mineral surface quartz. The aim was to process simulation results and analyse conformations of the adsorption complexes and their thermodynamic properties such as interaction energies, free energies and adsorption geometries.