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Utilization of nanomaterials for organic electronic and photovoltaics
Flimel, Karol ; Žídek, Jan (referee) ; Weiter, Martin (advisor)
The study of the new materials potentially usable for organic photovoltaic and electronics are getting very important from the point of ecological and financial view. Organic electronic devices are getting more and more popular and it is only up to us to search for the new ones that are able to improve their physical properties. The aim of this thesis is to search for materials like have been mentioned above which have very good semiconducting properties. Solutions of pure materials and its mixtures with different concentrations of fullerene have been investigated by ultra-violet spectroscopy, classical fluorescence and time resolved spectrometry. Mainly, were studied the influence of the central atom and side substituents for the optical and electronical properties of our materials of interest. With adding fullerene was observed quenching phenomena of the fluorescence, because all these new materials show usually high photoluminescence. Based on the given results, the most suitable materials had been chosen to provide trial of making organic solar cell, and therefore investigated by the mean of electric measurements (direct current).
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Data processing for tomographic reconstruction
Dospiva, Jindřich ; Žídek, Jan (referee) ; Zikmund, Tomáš (advisor)
This thesis deal with data processing from x-ray tomographic system. The primary focus is put on the description of projection refining taking place before tomographic reconstruction. The particular method for data processing from system Nano3DX is also suggested. It uses open software ASTRA tomography toolbox, which enable executing of tomographic reconstruction on the graphics card in MATLAB environment. There is also used correction for sample movement, denoising algorithm in projections and calculation the centre of rotation. Results of proposed procedure are demonstrated on tomographic data from measured samples and compared with processing software from the manufacturer.
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Modelling of Chemical Processes
Al Mahmoud Alsheikh, Amer ; Bártlová,, Milada (referee) ; Urban,, Ján (referee) ; Žídek, Jan (advisor)
V této práci je prezentována studie fragmentačního procesu zvolené molekuly a jeho vztah ke složení fragmentačních produktů. Práce je zaměřená na výpočet fragmentační energie molekuly pomocí ab initio kvantově chemických metod, metodou „density functional theory (DFT)“ a také srovnáním s experimentem. Je prezentován vliv výpočetní metody, bázového setu, a geometrie molekuly na simulaci. Byla porovnána fragmentace methylfenylsilanu (MPS), dimethylfenylsilanu (DMPS), a trimetylfenylsilanu (TMPS). Fragmentace byla iniciována monochromatickým elektronovým svazkem (EII). Hmotnostní spektrometrie byla využita ke studiu složení fragmentačních produktů MPS a TMPS. Fragmentační produkty MPS a TMPS měřené v rámci této práce byly doplněny o experimentální studii DMPS, která byla prezentována v literatuře. Takto byla získána řada molekul, které jsou strukturně podobné, ale mají výrazně rozdílné chování během fragmentace. Pomocí měření účinného průřezu byly měřeny disociační energie vazeb a tyto disociační energie byly vypočteny pomocí metody DFT. Kombinací teoretického výpočtu metodou DFT a experimentálního měření jsme poukázali na společné rysy a na rozdíly ve fragmentačním schématu všech tří molekul. Navrhli jsme odštěpení dvou vodíkových atomů během plazmově indukovaného fragmentačního procesu. Vodíky mohou být odštěpeny pomocí dvou mechanismů: i. odštěpení dvou vodíků jeden po druhém a ii. odštěpení molekuly H2 v jednom kroku. Z profilů energie dokážeme určit, který mechanismus bude v tom konkrétním případě pravděpodobnější. Předpokládaný mechanismus je v korelaci s experimentálními výsledky fragmentace zjištěnými z hmotnostních spekter.
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Preparation of grafted PP with diferent concentration of MA and IA
Běťák, Lukáš ; Žídek, Jan (referee) ; Kučera, František (advisor)
The bachelor thesis deal with a preparation and a characterization of polypropylene grafted with anhydrides carboxylic acids in a melt. A present knowledge about radical grafting was summarized in a theoretical part. Samples of polypropylene grafted with itaconic anhydride (IA) and maleic anhydride (MA) were prepared in the experimental part. 2,5 dimethyl 2,5bis(tert-buthylperoxy)hexane (Luperox 101) was used as a radical initiator. A Brabender mixer was used for experiment, conditions for grafting were 210 °C, 30 RPM and 6 min. Weight concentration of grafted monomer was in range 0,25 wt % 1 wt %. It was found that a degree of conversion depended on concentration ratio of initiator to monomer. Attached carboxylic groups to polypropylene backbone were confirmed by FTIR spectroscopy. The percentage of grafting was determined by acid-base titration.
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Preparation of materials based on reactive modified polyolefins
Běťák, Lukáš ; Žídek, Jan (referee) ; Kučera, František (advisor)
This thesis deals with a preparation of modified polypropylene. Modified polypropylene was prepared by reaction itaconic anhydride and compounds contain primary and secondary amino group (diaminododecane, aminoethylethanolamine and aminoethylpiperazine). Knowledge of radical and condensation modification of polypropylene were summarized in the theoretical part. New application of modified polypropylene ware summarized at the theoretical part as well. In the experimental part polypropylene was functionalized by grafting with itaconic anhydride during reactive extrusion. Extrusion was carried on the co-rotating twin-screw extruder (Brabender 25 DSE L/D = 34) at 230 °C and 30 RPM. Residence time of reactive blend was 3 minutes. The modified polypropylene PP-g-IAH) contained 0.5 wt% of itaconic anhydride. 2,5 dimethyl 2,5bis(tert buthyl-peroxy)hexane (Luperox 101) was used as a radical initiator. A ratio initiator/monomer was 1:0.6 (mol/mol). PP-g-IAH was used for condensation reaction with amino compounds in molar ratios IAH/amine from 1:0,3 to 1:1. This reaction carried out in single screw extruder (Betol 1825 L/D = 39) at 210 °C and 30 RPM. Residence time of reactive blend was 3 minutes. Fourier transform infrared spectroscopy was used for a calculation of reaction conversion and for description of new functional groups in the materials. This analysis confirmed the presence of amide and imide groups in the samples. Influence of amino compounds to polymer crystallinity was studied by differential scanning calorimetry. Termogravimetric analysis focused on thermal stability of prepared samples and changes of thermal stability was observed in dependence of additives amount. The rheological behaviors of modified PP were analyzed by measuring the complex viscosity.
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Dynamic surface tension in study of hyaluronan-surfactant interactions
Herzog, Milan ; Žídek, Jan (referee) ; Pekař, Miloslav (advisor)
The main task was to characterize interactions between negatively charged biopolymer sodium hyaluronate and two cationic surfactants: cetyltrimethylammonium bromide (CTAB) and tetradecyltrimethylammonium bromide (TTAB). Interactions between sodium hyaluronate and these surfactants are based on their different charge and can be detected by changes of surface tension. The influence of constant addition of sodium hyaluronate (MW = 90 and 1400 kDa) on interface tension values at increasing bubble lifetime was observed. For this purpose, the maximum bubble pressure method was choosen. The measurements were performed in water and in 0,15 mol•l-1 NaCl solution. The obtained results can be used as for description of dynamic properties of hyaluronate-surfactant systems as, e.g., in targeting drug delivery.
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Study of structural and mechanical properties of dendrimers
Ščudlová, Jolana ; Legut,, Dominik (referee) ; Žídek, Jan (advisor)
This thesis deals with the research on organized supermolecular structures. These structures are present in many polymeric materials. Mainly in bio-materials, they cause biological activity. Collagen fibril and dendrimers are suitable materials for molecular modeling. Collagen is natural protein with long, fibrous structure. Its fibrils show high elasticity. This property makes the material useful for certain applications. Dendrimers are synthetic macromolecules with regular and highly branched architecture. Modeling of their properties can be useful for improvement of various molecular models. The molecular structure of collagen fibril and dendrimers was studied by molecular dynamics simulations. The structures were built in the GROMACS software. Elastic deformation of collagen fibril was investigated. In case of dendrimers, shape and gyration radii were calculated from molecular models. Properties of these two materials are well described in literature. Therefore, modeling results can be compared to experimentally measured properties.
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Modification of polyurethane by biodegradable poly(hydroxybutyrate)
Kupka, Vojtěch ; Žídek, Jan (referee) ; Vojtová, Lucy (advisor)
Cílem předložené bakalářské práce byla syntéza elastomerního polyuretanu plněného biodegradabilním polyhydroxybutyrátem. Vzorky byly podrobeny analýze morfologie pomocí rastrovací elektronové mikroskopie, mechanické vlastnosti byly testovány jednoosou tahovou zkouškou. Práce se taktéž zabývá předpovědí mechanických vlastností na základě teorií kaučukové elasticity. Bylo zjištěno, že výsledný materiál je částicový kompozit, kde se vzrůstajícím hmotnostním obsahem plniva v materiálu vzrůstá modul pružnosti. Predikce tahových křivek pomocí softwaru SEC.exe ukazovala pro reálný průběh křivky nereálné hodnoty hustot polymerních řetězců. U modelů, které vykazovaly reálné hodnoty hustot, byly naopak hodnoty napětí vyšší, než ve skutečnosti naměřené.
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