Experimental Plan for the New IMM and Ehrfeld Split-and-Recombine Micromixers
Preziosi, V.; Křišťál, Jiří
2012 - English The report presents the experimental plan for the new IMM and Ehrfeld split-and-recombine micromixers. Keywords: micromixers; experimental plan; Ehrfeld split Available at various institutes of the ASCR Experimental Plan for the New IMM and Ehrfeld Split-and-Recombine Micromixers

The report presents the experimental plan for the new IMM and Ehrfeld split-and-recombine micromixers.

Preziosi, V.; Křišťál, Jiří
Ústav chemických procesů, 2012

Edge Effects in Rotational Viscometry VI. ZZ- and KK- Type Sensors: No-slip Pseudosimilarity for Inertialess Flow (Revisited)
Wein, Ondřej; Havlica, Jaromír
2012 - English This report should serve as a manual to the program Prog_cL_m.exe for calculating the correction cL on edge effects in narrow-gap rotational viscometry with almost cylindrical or conical spindles. Referring to the previous Research Report ICPF 2004/8, which deals with the same subject, it includes, in addition, also computation of cL for the entire ZZ and KK sensors with an arbitrary front of bottom semi-sensors (FLAT, CONE, HUB, HAAKE). Detailed attention is paid to numerical aspects: extrapolation/interpolation of the related fields (angular velocity, shear stress, dissipation, local torque contribution) towards the boundaries, including the analytical smoothing at singularities. The source codes for Prog_cL_m.exe, the results of numerical simulations, as well as the resulting correlations for cL , are available on the attached CD, which is an integral part of this report. The inertia effect was computed using commercial software FLUENT 12 for the Z40DIN sensor and applied in an approximate way also for the KK35/23 sensor. Keywords: edge effects; rotational viscometry; zz and kk sensors Available at various institutes of the ASCR Edge Effects in Rotational Viscometry VI. ZZ- and KK- Type Sensors: No-slip Pseudosimilarity for Inertialess Flow (Revisited)

This report should serve as a manual to the program Prog_cL_m.exe for calculating the correction cL on edge effects in narrow-gap rotational viscometry with almost cylindrical or conical spindles. ...

Wein, Ondřej; Havlica, Jaromír
Ústav chemických procesů, 2012

Thin Functional Films of TiO2 Nanoparticles
Morozová, Magdalena; Klusoň, Petr; Hejda, S.; Kment, Štěpán; Šolcová, Olga
2011 - English Magnetron Sputtering and the Modulated Hollow Cathode Plasma Jet Sputtering. As chemical method the sol-gel process carried out in the templating environment as dip-coating and piezo-jet printing was employed. The produced films differed in many structural characteristics and also in their photoelectrochemical behaviour, as the primary sought function. The produced layers were described by means of atomic force microscopy, scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, ultraviolet-visible spectroscopy, Raman spectroscopy, ellipsometry and profilometry. Then the films were used as electrodes in photoelectrochemical experiments. Keywords: spectroscopy; films; nanoparticles Available at various institutes of the ASCR Thin Functional Films of TiO2 Nanoparticles

Magnetron Sputtering and the Modulated Hollow Cathode Plasma Jet Sputtering. As chemical method the sol-gel process carried out in the templating environment as dip-coating and piezo-jet printing was ...

Morozová, Magdalena; Klusoň, Petr; Hejda, S.; Kment, Štěpán; Šolcová, Olga
Ústav chemických procesů, 2011

Titania Supported Co-Mn-Al Catalysts in Total Oxidation of Ethanol
Ludvíková, Jana; Jirátová, Květa; Klempa, Jan
2011 - English In pelletized mixed oxide catalysts prepared by calcination of coprecipitated precursors, a considerable part of the pellets is not utilized in case of very fast catalytic reaction, due to the effect of internal and external diffusion. Therefore, deposition of thin active layer on a supporting material is advantageous. In this contribution, the effect of the support (titania grains and extrudates) on properties and catalytic activity in VOC oxidation of both catalyst geometric forms were examined. Keywords: mixed oxide catalysts; voc oxidation; titania Available at various institutes of the ASCR Titania Supported Co-Mn-Al Catalysts in Total Oxidation of Ethanol

In pelletized mixed oxide catalysts prepared by calcination of coprecipitated precursors, a considerable part of the pellets is not utilized in case of very fast catalytic reaction, due to the effect ...

Ludvíková, Jana; Jirátová, Květa; Klempa, Jan
Ústav chemických procesů, 2011

Bond Indices in Solids. A Numerical Approach to Analytical Model
Ponec, Robert; Kohout, M.
2011 - English To overcome this problem we proposed as a feasible alternative the numerical calculations using the explicit summation over N/2 of low energy states. Such an approach gives for the index between nearest neighbour atoms the value 0.111, which well agrees with the exact value 0.12 reported in the study. This result is very important as it demonstrates that the numerical remedy of the problems with the specification of integration domains does indeed represents a feasible strategy for the calculation of bond indices in solids and examples of the applications to other types of unit cells will be discussed. Keywords: chemical bond; bond indices; solids Available at various institutes of the ASCR Bond Indices in Solids. A Numerical Approach to Analytical Model

To overcome this problem we proposed as a feasible alternative the numerical calculations using the explicit summation over N/2 of low energy states. Such an approach gives for the index between ...

Ponec, Robert; Kohout, M.
Ústav chemických procesů, 2011

Electronic Structure of Ni(0) Complexes Containing Ligands with Cumulative Double Bonds
Barcs, B.; Kollár, L.; Ponec, Robert; Kégl, T.
2011 - English In our previous study the electronic structure of the Ni(0) complex Ni(PH3)2(η2-CO2) (Figure 1) was elucidated within the framework of density functional theory by means of using domain-averaged Fermi hole (DAFH), quantum theory of atoms in molecules (QTAIM), electron localization function (ELF), charge decomposition analysis (CDA), and natural bond orbital (NBO) methods 8. It was shown, that the carbon dioxide ligand exhibits an unusual coordination behavior due to the highly polarized nature of the O=C bond. According to QTAIM and ELF analyses neither bond path nor V(C,O1) basin was found between Ni and O1. The back-donation from metal to carbon dioxide ligand is influenced by a direct charge transfer from phosphorus to carbon as it was revealed by DAFH and NBO studies. Keywords: Ni(0) complexes; nature of bonding Available at various institutes of the ASCR Electronic Structure of Ni(0) Complexes Containing Ligands with Cumulative Double Bonds

In our previous study the electronic structure of the Ni(0) complex Ni(PH3)2(η2-CO2) (Figure 1) was elucidated within the framework of density functional theory by means of using domain-averaged Fermi ...

Barcs, B.; Kollár, L.; Ponec, Robert; Kégl, T.
Ústav chemických procesů, 2011

Chemical Composition of PM2.5 at Rural Backround Site Košetice
Schwarz, Jaroslav; Havránek, Vladimír
2011 - English PM2.5 generally represents fine fraction of atmospheric aerosol. Fine particles may remain in the atmosphere for days or even weeks and therefore they may be transported over long distances. Moreover, they may increase the background levels of atmospheric aerosol mass far from their origin. They have important adverse health effects and in the same time, they influence climate due to their direct and indirect effects on Earth radiative balance. To know the origin of PM2.5 aerosol, its chemical composition can serve as the diary of contacts with aerosol sources and transformations. Therefore it is necessary to study PM2.5 chemical composition if the fine aerosol sources should be revealed. A rural background site study can serve as a basis enabling to determine the real influence of larger sources like cities or an industry. Keywords: PM2.5; elemental composition; chemical composition Available at various institutes of the ASCR Chemical Composition of PM2.5 at Rural Backround Site Košetice

PM2.5 generally represents fine fraction of atmospheric aerosol. Fine particles may remain in the atmosphere for days or even weeks and therefore they may be transported over long distances. Moreover, ...

Schwarz, Jaroslav; Havránek, Vladimír
Ústav chemických procesů, 2011

Prediction of Apparent Viscosity in MicroSAR Mixers from Experimental Pressure Drop
Křišťál, Jiří; Vajglová, Zuzana
2011 - English The report describes the model for prediction of apparent viscosity based on the experimental pressure drop. Keywords: experimental pressure drop; apparent viscosity; microSAR mixers Available at various institutes of the ASCR Prediction of Apparent Viscosity in MicroSAR Mixers from Experimental Pressure Drop

The report describes the model for prediction of apparent viscosity based on the experimental pressure drop.

Křišťál, Jiří; Vajglová, Zuzana
Ústav chemických procesů, 2011

Critical Notes on Heterogeneous Photocatalysis on TiO2 Photocatalysts
Klusoň, Petr; Hejda, S.
2011 - English In our recent works we described different types of titania based materials used as either colloids or thin films. These were functionally characterized in photo-induced electrochemical measurements and/or in photocatalytic oxidations. Special attention was paid to the effect of organized internal structure induced by templating principles as an alternative to plasma enhanced physical methods. Considerable work has also been undertaken on research of porphyrine based photoactive macromolecules, which are efficient producers of singlet oxygen species upon well defined illumination. Keywords: titanium oxide; heterogeneous photocatalysis; thin films Available at various institutes of the ASCR Critical Notes on Heterogeneous Photocatalysis on TiO2 Photocatalysts

In our recent works we described different types of titania based materials used as either colloids or thin films. These were functionally characterized in photo-induced electrochemical measurements ...

Klusoň, Petr; Hejda, S.
Ústav chemických procesů, 2011

Carbosilane Dendrimers Containing Titanium Complexes on Their Periphery
Strašák, Tomáš; Čermák, Jan
2011 - English Keywords: carbosilane dendrimers; titanium complexes Available on request at various institutes of the ASCR Carbosilane Dendrimers Containing Titanium Complexes on Their Periphery

Strašák, Tomáš; Čermák, Jan
Ústav chemických procesů, 2011