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Adsorption of AOM amino acids onto activated carbon
Čermáková, Lenka ; Pivokonský, Martin (advisor) ; Benešová, Libuše (referee)
This diploma thesis deals with the efficiency and factors affecting the adsorption of AOM (Algal Organic Matter) amino acids (AAs) arginine (Arg), phenylalanine (Phe) and aspartic acid (Asp) onto granular activated carbon (GAC) Picabiol 12x40 (PIC). The efficiency of AOM AAs removal was studied in laboratory equilibrium and kinetic experiments and it was shown that the adsorption efficiency of the selected AAs is dependent on the structure of the molecule of AAs and the nature of the functional groups of their side chain, and more particularly to solution pH, which determines the nature and size and surface charge of AAs and GAC. In contrast to this, the ionic strength (IS) of solution had relatively low effect on the AAs adsorption. Arg adsorption efficiency increased with increasing pH and reached a maximum at pH 9, where AAs and GAC were oppositely charged, and this leads to attractive electrostatic interactions. In the case of Asp adsorption on PIC practically did not work. The reason is that under all experimental conditions Asp molecules and the surface of the PIC carried identical negative charge. This led to the strong electrostatic repulsion between Asp and PIC which prevented effective adsorption. In the case of Phe the adsorption decreases with increasing pH. Maximum adsorption...
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The preparation and study of catalytic system Cu(O)-CeO2 using surface analytical methods
Šmíd, Břetislav ; Matolínová, Iva (advisor) ; Plšek, Jan (referee) ; Sofer, Zdeněk (referee)
Title: The preparation and study of catalytic system Cu(O)-CeO2 using surface analytical methods Author: Břetislav Šmíd Department: Department of Surface and Plasma Science Supervisor of the doctoral thesis: Doc. Mgr. Iva Matolínová, Dr. Abstract: This work is concerned with a study of copper/copper oxide - cerium dioxide systems and their interaction with CO and H2O molecules. Investigated samples were prepared in the form of powder catalysts and also as very well defined model inverse systems. The low temperature CO oxidation powder catalysts were studied by means of XPS, XRD, SEM, TEM and in micro-reactor system allowing the CO oxidation examination. The study of H2O adsorption and co-adsorption of H2O with CO were carried out on model inverse systems CeOx(111)/Cu(111) in ultra-high vacuum conditions using X-ray, synchrotron radiation (SRPES), resonant (RPES) photoelectron spectroscopies and LEED. It was observed on the stoichiometric surface water adsorbs molecularly at 120 K while on the reduced surface and surface of CeO2 islands on Cu(111) the H2O adsorption is partially dissociative with formation of OH groups. The increase of Ce3+ species (i.e. surface reduction) observed after H2O adsorption was explained as an electronic effect of the Ce 4f charge accumulation and Ce 5d charge depletion....
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Teoretické výpočty interakce adsorbátu s orientovanými povrchy Si
Krejčí, Ondřej ; Kocán, Pavel (advisor) ; Ondráček, Martin (referee)
In this work I briefly described the basic ideas of density functional theory (DFT) for calculations of an electronic structure of molecules, solids and surfaces. I also summarized the fundamentals of DFT based Fireball code that was used for calculations of the atomic and electronic structures of several models. Fur- ther I described theory of scanning tunnelling microscopy (STM) and mentioned some approaches of simulating STM maps by means of results of DFT calcula- tions. The studied models were reconstructions of a Si (111) surface, namely the 7×7, 2×1 Pandey chain and reconstructions with periodicity √ 3 × √ 3, where finding proper atomic structure, fitting to a new experimental observations, was required. I compared energetic favourableness of the reconstructions. I also stud- ied an adsorption of benzene on 7×7. I have analysed the atomic and electronic structure of all the models and made STM simulations using STM code. I com- pared the results with experimental STM maps in literature and with results of the STM experiments made by RNDr. Pavel Kocán, Ph.D. (reconstruction v √ 3 × √ 3) and by Prof. Alastair McLean (benzene on 7×7). Probable model of observed metastable reconstruction √ 3 × √ 3 was found. The proof that benzene chamisorbate in so called di-σ-bridge position was also made. 1
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The preparation and study of catalytic system Cu(O)-CeO2 using surface analytical methods
Šmíd, Břetislav
Title: The preparation and study of catalytic system Cu(O)-CeO2 using surface analytical methods Author: Břetislav Šmíd Department: Department of Surface and Plasma Science Supervisor of the doctoral thesis: Doc. Mgr. Iva Matolínová, Dr. Abstract: This work is concerned with a study of copper/copper oxide - cerium dioxide systems and their interaction with CO and H2O molecules. Investigated samples were prepared in the form of powder catalysts and also as very well defined model inverse systems. The low temperature CO oxidation powder catalysts were studied by means of XPS, XRD, SEM, TEM and in micro-reactor system allowing the CO oxidation examination. The study of H2O adsorption and co-adsorption of H2O with CO were carried out on model inverse systems CeOx(111)/Cu(111) in ultra-high vacuum conditions using X-ray, synchrotron radiation (SRPES), resonant (RPES) photoelectron spectroscopies and LEED. It was observed on the stoichiometric surface water adsorbs molecularly at 120 K while on the reduced surface and surface of CeO2 islands on Cu(111) the H2O adsorption is partially dissociative with formation of OH groups. The increase of Ce3+ species (i.e. surface reduction) observed after H2O adsorption was explained as an electronic effect of the Ce 4f charge accumulation and Ce 5d charge depletion....
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Contaminant binding to colloids in water from a mining/smelting area
Walter, Dominik ; Ettler, Vojtěch (advisor) ; Faimon, Jiří (referee)
This study deals with the association of trace elements with colloids and particles in surface waters and groundwaters of mining and smelting district of Příbram. Colloids were studied using combination of cascade filtration a tangential flow ultrafiltration method to separate individual colloid fractions. Colloids were separated by filtration membranes with nominal pore size 0,8 μm, 0,45 μm, 0,1 μm, 100 kDa, and 5 kDa. Water samples were analyzed using ICP-OES, ICP-MS and HPLC. The data were used for thermodynamic modeling using PHREEQC-2 programme. The results show that major and trace elements can be divided into several groups, based on their abundance in individual size fractions. Most elements dominate in fraction of truly dissolved matter as dissociated ions (< 5 kDa), maximum concentration in colloid fraction is 5-20 % and almost exclusively in fraction 5 kDa - 100 kDa. Gradual decrease of concentration in all fractions at low ionic strength (1,2 mmol/l) was observed in case of elements such as As, Co, Cr, Si, Sb and U. Gradual decrease of concentration in several samples was observed for Cd, Fe, Pb, Mn and Zn. Dominant binding to colloids and particles in surface waters was observed for Fe and Pb, where these fractions accounted for over 90 %. The main factor influencing colloid...
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ADSORPTION OF ALGAL ORGANIC MATTER PRODUCED BY MICROCYSTIS AERUGINOSA ONTO ACTIVATED CARBON
Krsová, Magdalena ; Pivokonský, Martin (advisor) ; Benešová, Libuše (referee)
The aim of this diploma thesis is to evaluate the efficiency of two types of granular activated carbon (GAC), Filtrasorb TL 830 and Picabiol 12x40, for the adsorption of cellular peptides with low molecular weight produced by cyanobacterium Microcystis aeruginosa that are hardly removable during the coagulation/flocculation processes. The effect of different carbon properties (surface charge, textural characteristics), peptide properties (molecular size, surface functionality and charge) and solution characteristics (ionic strength and pH value) on the peptide uptake was investigated using laboratory equilibrium and kinetic adsorption experiments. The results showed that adsorption of peptides was influenced by the charge conditions in adsorption system that depend on solution pH. The pH value influences surface charge and the point of zero charge (pHpzc) of GAC as well as dissociation and protonization of peptide functional groups. It was found that efficiency of the peptide adsorption increased with decreasing pH value for both GACs. Under these conditions adsorption was enhanced by attractive electrostatic interactions between GAC surface and peptide functional groups and was also positively influenced by the conformation changes in peptide structure. GAC Picabiol 12x40 showed the total highest...
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Theoretical Investigation of Mechanisms of Chemical Reactions Taking Place in Microporous Materials
Položij, Miroslav ; Nachtigall, Petr (advisor) ; Pulido Junquera, María Ángeles (referee)
Mechanisms of three reactions catalyzed by microporous materials were investigated computationally; the reactions investigated include Friedländer and Knoevenagel reactions catalyzed by Cu3BTC2 metal organic framework (MOF) and an intramolecular cyclisation of unsaturated alcohols catalyzed by zeolite H-ZSM-5. It was found that the reaction mechanisms of all three reactions are controlled by a high concentration of active sites in materials. Reaction intermediates interact with more than one active site simultaneously. This novel concept of "multiple-site" interactions is described. The concerted effect of two catalytic sites leads to a decrease of activation barriers on reaction paths of Friedländer and Knoevenagel reactions. On the contrary, a simultaneous interaction of reactants with two active sites has a negative effect on reaction rate in case of alcohol cyclization catalyzed by H-ZSM-5; it was found that the interaction with dual sites results in the increase of activation barriers and diffusion limitations. In case of Knoevenagel reaction catalyzed by CuBTC, the adsorption of reaction precursor to the reaction site allows the creation of a dynamic defect in the MOF framework that subsequently catalyses the reaction. Both, the multiple sites effect and the dynamical defect formation effect...
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Upgrading biogas by PSA
Krhut, Štěpán ; Havlásek, Martin (referee) ; Zejda, Vojtěch (advisor)
This work deals with bio gas cleaning by a PSA method and modernizing of a laboratory unit. Raw bio gas contains many unwanted elements like carbon dioxide mostly which lowers its energy potential then. To extend the possibilities of usage of bio gas it is necessary to remove such elements. One of the well-known method for eliminating CO2 out of the bio gas is the method called Pressure Swing Adsorption (PSA). This work describes PSA method and compares it with other methods for cleaning the bio gas. In the following part of my work I am introducing the original laboratory PSA unit which is placed in the laboratory of UPI institution for research purposes. The modernization of the method was made by changing the manual valves for electromagnetic ones and there was also designed a new control system unit for two control modes. For manual and for automatic. The essential function is based on remote controlling the valves either by switches or by a program. The electric control panel was created for such required modes. The automated process was controlled by Arduino programming platform which was integrated into the panel. In the case of the next measurement and reading there was created a detailed description for user on how to operate the control panel and also the comments for control program of automatization.
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Interaction of group III and IV metals with Si(100) surface in temperature range from 20 to 800K
Setvín, Martin ; Ošťádal, Ivan (advisor) ; Janda, Pavel (referee) ; Klapetek, Petr (referee)
1 Title: Interaction of group III and IV metals with Si(100) surface in temperature range from 20 to 800 K Author: Martin Setvín Department: Departement of Surface and Plasma Science Supervisor of the doctoral thesis: Doc. RNDr. Ivan Ošt'ádal CSc. Abstract: Interaction of group III and IV metals with Si(100) surface was studied by STM (Scanning Tunneling Microscopy) and AFM (Atomic Force Microscopy) in temperature range from 20 to 800 K. Adsorption and hopping of single metal adatoms on Si(100)-c(4×2) reconstruction can be observed by STM at low temperatures. Activation energies and frequency prefactors for hopping of single indium atoms were measured by two meth- ods - direct STM measurement at low temperature and Kinetic Monte Carlo simulations of layer growth at room temperature. Group III and IV atoms self-assemble into single atom wide chains on Si(100) surface at about room temperature. Atomic and electronic structure of the chains was investi- gated by means of STM and dynamic non-contact AFM. Keywords: Si(100), STM, AFM, adsorption, diffusion
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Catalytic and adsorption properties of papain and its derivatives
Lachmanová, Štěpánka ; Hudeček, Jiří (advisor) ; Karpenko, Vladimír (referee)
The aminoacid sequence of papain (EC 3.4.22.2) consists of 212 aminoacids. It has only one free sulfhydryl group, which is located in the active site of the protein. Some organometallic complexes could be bonded only to this free -SH group due to their structure. The artificial metalloproteins synthesised by this way may have different electrochemical properties. In this work, we have studied the electrochemical properties of papain and its derivatives. We compared the ability of papain and its three artificial derivatives to catalyse the hydrogen evolution by the chronopotenciometry. The work was completed by the study of the electrochemical properties of the organometallic complexes of ruthenium, which were used for the artificial metalloprotein preparation. The electrochemical properties of the compounds were never studied before. The process of the hydrogen evolution catalysed by the proteins is held in the adsorbed state of the catalyst. Due to this fact we have also studied the adsorption properties of papain on the substrates with different level of hydrofobicity. (In Czech)
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