Search results for "THERMODYNAMICS"
showing 10 items of 2774 documents
Analysis of the hydrodynamics of a periodically operated trickle-bed reactor—A shock wave velocity
2014
Abstract The relationship describing the shock wave velocity was formulated for the trickle-bed reactor operating at periodically changed feeding the bed with liquid phase. The values of shock wave velocity calculated from derived equations were compared with experimental values obtained for both fast and slow mode of base–pulse periodic liquid feeding and using liquids differing in physicochemical properties. A good agreement between these two sets of values of shock wave velocity was obtained. It has to be emphasized that the relationship (Eq. (26) ) derived in this study enables to estimate the values of the shock wave velocity when only mean values of variables of a process are known.
Improving the understanding of the melting behaviour of Mo, Ta, and W at extreme pressures
2004
We discus existent conflicts between experimentally measured and theoretically calculated melting curves of Mo, Ta, and W. By assuming that vacancy formation plays a fundamental role in the melting process, an explanation for the measured melting curves is provided. Furthermore, we show that the Lindemann law fits well all the measured melting curves of bcc transition metals if the Grueneisen parameter is written as a power series of the interatomic distance. For completeness, we examine possible reasons for current disagreements between shock-wave and DAC experiments. To solve them, we propose the existence of an extra high P-T phase for Mo, Ta, and W
Gold coated porous silicon nanocomposite as a substrate for photoluminescence-based immunosensor suitable for the determination of Aflatoxin B1.
2017
Abstract A rapid and low cost photoluminescence (PL) immunosensor for the determination of low concentrations of Aflatoxin B1 (AFB1) has been developed. This immunosensor was based on porous silicon (PSi) covered by thin gold layer (Au) and modified by antibodies against AFB1 (anti-AFB1). PSi layer was formed on silicon substrate, then the surface of PSi was covered by 30 nm layer of gold (PSi/Au) using electrochemical and chemical deposition methods and in such ways PSi/Au (El.) and PSi/Au (Chem.) structures were formed, respectively. In order to find PSi/Au the most efficiently suitable for PL-based sensor design, structure several different PSi/Au (El.) and PSi/Au (Chem.) structures were…
The structure and stoichiometry of C-S-H
2004
Abstract This review relates to the models describing the structural evolution of calcium silicate hydrate (C-S-H) at the crystal–chemical level as a function of composition in terms of calcium to silicon ratio. The different models are compared and discussed in the light of recent spectroscopic and microscopic data. Taking into account the structure and the morphological properties of C-S-H, a surface reaction thermodynamic model has been proposed and discussed to predict and correlate the chemical and structural evolution of C-S-H with solution chemistry.
Applicability of LES turbulence modeling for CZ silicon crystal growth systems with traveling magnetic field
2010
Abstract To examine the applicability of LES turbulence modeling for CZ silicon crystal growth systems with traveling magnetic fields, LES calculations with Smagorinsky–Lilly turbulence model and van Driest damping at the solid walls are carried out. The program package for the calculations was developed on the basis of the open-source code library OpenFOAM ® . A previously published laboratory model with low temperature melt InGaSn, a 20” crucible, and process parameters corresponding to industrial Czochralski silicon systems is considered. Flow regimes with two crystal and crucible rotation rates and with different strengths of the traveling magnetic field “down” are analyzed. The calcula…
Reactivity of antitumor coinage metal-based N-heterocyclic carbene complexes with cysteine and selenocysteine protein sites
2021
Abstract The reaction of the antitumor M(I)-bis-N-heterocyclic carbene (M(I)-NHC) complexes, M = Cu, Ag, and Au, with their potential protein binding sites, i.e. cysteine and selenocysteine, was investigated by means of density functional theory approaches. Capped cysteine and selenocysteine were employed to better model the corresponding residues environment within peptide structures. By assuming the neutral or deprotonated form of the side chains of these amino acids and by considering the possible assistance of an external proton donor such as an adjacent acidic residue or the acidic component of the surrounding buffer environment, we devised five possible routes leading to the binding o…
Theory of the growth mode for a thin metallic film on an insulating substrate
2002
We have developed a novel theory predicting the growth mode of a thin metallic film on an insulating substrate. This combines ab initio electronic structure calculations for several ordered metal/insulator interfaces (varying both coverage and substrate lattice constant), with a thermodynamic approach based on microscopic calculations. We illustrate this approach for Ag film deposited on MgO(0 0 1) substrate. Ab initio calculations predict high mobility of adsorbed silver atoms on the perfect magnesia surface even at low temperatures. Our theoretical analysis clearly demonstrates that the growth of metallic islands is predominant at the initial stage of silver deposition, which agrees with …
Isolated self-assembled InAs/InP(001) quantum wires obtained by controlling the growth front evolution
2007
6 páginas, 5 figuras. In this work we explore the first stages of quantum wire (QWR) formation studying the evolution of the growth front for InAs coverages below the critical thickness, θc, determined by reflection high energy electron diffraction (RHEED). Our results obtained by in situ measurement of the accumulated stress evolution during InAs growth on InP(001) show that the relaxation process starts at a certain InAs coverage θRθR this ensemble of isolated nanostructures progressively evolves towards QWRs that cover the whole surface for θ = θc. These results allow for a better understanding of the self-assembling process of QWRs and enable the study of the individual properties of In…
2D Slab Models of Nanotubes Based on Tetragonal TiO2 Structures: Validation over a Diameter Range
2021
This research was funded by the M-ERA.NET project ?Multiscale computer modelling, synthesis and rational design of photo(electro)catalysts for efficient visible-light-driven seawater splitting? (CatWatSplit). Institute of Solid State Physics, University of Latvia as the Center of Excel-lence has received funding from the European Union?s Horizon 2020 Framework Program H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART2.
REGULARITY OF THE FRACTIONAL MAXIMAL FUNCTION
2003
The purpose of this work is to show that the fractional maximal operator has somewhat unexpected regularity properties. The main result shows that the fractional maximal operator maps -spaces boundedly into certain first-order Sobolev spaces. It is also proved that the fractional maximal operator preserves first-order Sobolev spaces. This extends known results for the Hardy–Littlewood maximal operator.