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Wyniki wyszukiwania dla: 2D CARBIDES
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Electrochemical, theoretical and surface physicochemical studies of the alkaline copper corrosion inhibition by newly synthesized molecular complexes of benzenediamine and tetraamine with π acceptor
PublikacjaTwo charge transfer complexes, namely [(BDAH)+(PA−)] CT1 [(BTAH)2+(PA−)2] and CT2 (BDAH = 1,2-benzenediamine, BTAH = 1,2,4,5-benzenetetramine, and PA− = 2,4,6-trinitrophenolate), were synthesized and fully characterized using various spectroscopic techniques. CT1 and CT2 were tested as inhibitors to effectively control the uniform and anodic corrosion processes of copper in an alkaline electrolyte (1.0 M KOH) using various electrochemical...
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Novel, Fully Biobased Semicrystalline Polyamides
PublikacjaNovel, semicrystalline polyamides and co(polyamides) were synthesized from biobased sebacic acid (SA), 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydroiditol (diaminoisoidide, DAII) as well as from 1,4-diaminobutane (DAB), also known as putrescine in nature. Low molecular weight polyamides were obtained by melt polycondensation of the salts based on these monomers or by interfacial polycondensation. In order to increase their molecular...
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Game theory-based virtual machine migration for energy sustainability in cloud data centers
PublikacjaAs the demand for cloud computing services increases, optimizing resource allocation and energy consumption has become a key factor in achieving sustainability in cloud environments. This paper presents a novel approach to address these challenges through an optimized virtual machine (VM) migration strategy that employs a game-theoretic approach based on particle swarm optimization (PSO) (PSO-GTA). The proposed approach leverages...
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Molecular and structural basis of inner core lipopolysaccharide alterations in Escherichia coli: incorporation of glucuronic acid and phosphoethanolamine in the heptose region.
PublikacjaIt is well established that lipopolysaccharide (LPS) often carries nonstoichiometric substitutions in lipid A and in the inner core. In this work, the molecular basis of inner core alterations and their physiological significance are addressed. A new inner core modification of LPS is described, which arises due to the addition of glucuronic acid on the third heptose with a concomitant loss of phosphate on the second heptose. This...
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Biological and mechanical properties of bone cement with nanoarticles - in vitro and in vivo research
PublikacjaDespite antibiotic preventive treatment both before and after implant implementation, the risks of infection are real. These infections develop at the implant surface a few months after inserting them into the body. To prevent the development of bacteria and reduce the risk of infection, implants coated with nanoparticles are used. The Mechanical Department of the Technical University of Gdansk carries out research into using bone...
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Structural analysis and physico-chemical characterization of mononuclear manganese(II) and polynuclear copper(II) complexes with pyridine-based alcohol
PublikacjaTwo novel manganese(II) and copper(II) complexes, mononuclear [Mn(H2O)2(2-(CH2)2OHpy)2](NO3)2 (1) and polynuclear [Cu(SO4)(2-(CH2)2OHpy)2]n (2), based on 2-(hydroxyethyl)pyridine (2-(CH2)2OHpy) were synthesised and fully characterised using X-ray structure analysis as well as spectroscopic, magnetic and thermal methods. Both central metal ions Mn(1) and Cu(1) are coordinated by two N,O-donor 2-(CH2)2OHpy ligands and possess an...
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An unusual four-nuclear Pb(II)-pyrrole-2-carboxylato polymer: The effect of the lone pair and non-covalent interactions on the supramolecular assembly and fluorescence properties
PublikacjaThe reaction of Pb(NO3)2 with 1H-pyrrole-2-carboxylic acid (2prCOOH) leads to the formation of a new four-nuclear Pb(II) polymer, [Pb4(2prCOO)8(H2O)]n, which has been characterized by CHN, FT-IR, TG, PL and single-crystal X-ray diffraction methods. In view of the primary Pb–O bonds, Pb1 and Pb3 show hemidirected pentagonal pyramidal geometries, while Pb2 and Pb4 display hemidirected octahedral geometries. The topology of the strongest...
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Performance evaluation of unified memory and dynamic parallelism for selected parallel CUDA applications
PublikacjaThe aim of this paper is to evaluate performance of new CUDA mechanisms—unified memory and dynamic parallelism for real parallel applications compared to standard CUDA API versions. In order to gain insight into performance of these mechanisms, we decided to implement three applications with control and data flow typical of SPMD, geometric SPMD and divide-and-conquer schemes, which were then used for tests and experiments. Specifically,...
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Modeling nitrous oxide production by a denitrifying-enhancedbiologically phosphorus removing (EBPR) activated sludge in thepresence of different carbon sources and electron acceptors
PublikacjaIn this study, the IWA Activated Sludge Model No. 2d (ASM2d) was expanded to identify the most important mechanisms leading to the anoxic nitrous oxide (N2O) production in the combined nitrogen (N) and phosphorus (P) removal activated sludge systems. The new model adopted a three-stage denitrification concept and was evaluated against the measured data from one/two-phase batch experiments carried out with activated sludge withdrawn...
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Simulation of unsteady flow over floodplain using the diffusive wave equation and the modified finite element method
PublikacjaWe consider solution of 2D nonlinear diffusive wave equation in a domain temporarily covered by a layer of water. A modified finite element method with triangular elements and linear shape functions is used for spatial discretization. The proposed modification refers to the procedure of spatial integration and leads to a more general algorithm involving a weighting parameter. The standard finite element method and the finite difference...
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Chiral analysis of chloro intermediates of methylamphetamine by one-dimensional and multidementional NMR and GC/MS
PublikacjaImpurity profiling and classification of abused drugs using chiral analytical techniques is of particular interest and importance because of the additional information obtained fromthis approach. When these methods are applied to the synthesis of illicitly used substances, they can supply valuable information about the conditions/chemicals used in the synthesis. We have applied GC and NMR methods to the study of intermediates found...
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Surface Texture after Turning for Various Workpiece Rigidities
PublikacjaIn the paper, we present an analysis of the surface texture of turned parts with L/D (length/diameter) ratios of 6 and 12 and various rigidity values. The studies were carried out on samples made of S355JR steel and AISI 304 stainless steel. A detailed analysis of 2D surface profiles was carried out by using a large number of parameters that allowed us to distinguish significant differences in the surface microgeometry, which confirmed...
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Mechanical exfoliation and layer number identification of single crystal monoclinic CrCl3
PublikacjaAfter the recent finding that CrI3, displays ferromagnetic order down to its monolayer, extensive studies have followed to pursue new two-dimensional (2D) magnetic materials. In this article, we report on the growth of single crystal CrCl3 in the layered monoclinic phase. The system after mechanical exfoliation exhibits stability in ambient air (the degradation occurs on a time scale at least four orders of magnitude longer than...
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Enhancing Seismic Performance of Semi-rigid Connection Using Shape Memory Alloy Bolts Considering Nonlinear Soil–Structure Interaction
PublikacjaSteel Moment-Resisting Frames (SMRFs) have their lateral resistance for their rigid connections, while real conditions have shown that the rigidity of a connection depends on the bolts and the end-plate thickness, which may not provide the assumed rigidity in design process. In this research, the main goal is to enhance the semi-rigid connections using shape memory alloy (SMA) bolts and explore their effects on the seismic limit-state...
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Synthesis and structural characterization of bio-based bis(cyclic carbonate)s for the preparation of non-isocyanate polyurethanes
PublikacjaBio-based cyclic carbonates are of significant research interest as monomers for non-isocyanate polyurethane (NIPU) synthesis. This research describes the synthesis of a series of five-membered bis(cyclic carbonate)s using bio-based polyether polyols (PO3G) with different molecular weights (250, 650 and 1000 g mol−1) and carbon dioxide as green feedstocks. The utilization of CO2 as a source of carbon in the chemical reaction is...
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Limits of enhanced of macro- and meso-scale continuum models for studying size effect in concrete under tension
PublikacjaThe paper investigates a mechanical quasi-static size effect in concrete during splitting tension at the macro- and meso-level. In experiments, five different diameters of cylindrical concrete specimens were tested. Twodimensional plane strain finite element (FE) simulations were carried out to reproduce the experimental size effect. The size effect in experiments by Carmona et al. was also simulated. Two enhanced continuum concrete...
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The use of fast molecular descriptors and artificial neural networks approach in organochlorine compounds electron ionization mass spectra classification
PublikacjaDeveloping of theoretical tools can be very helpful for supporting new pollutant detection. Nowadays, a combination of mass spectrometry and chromatographic techniques are the most basic environmental monitoring methods. In this paper, two organochlorine compound mass spectra classification systems were proposed. The classification models were developed within the framework of artificial neural networks (ANNs) and fast 1D and...
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Reconstruction of 3D image of corona discharge streamer
PublikacjaIn this paper, the method of reconstruction of the 3D structure of streamers in DC positive corona discharge in nozzle-to-plate electrode configuration is presented. For reconstructing of 3D image of corona discharge streamer we propose a stereographical method, where streamers are observed from several directions simultaneously. The multi-directional observation enabled to obtain fine positional coordinates of streamers for a...
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Unveiling the Pool of Metallophores in Native Environments and Correlation with Their Potential Producers
PublikacjaFor many organisms, metallophores are essential biogenic ligands that ensure metal scavenging and acquisition from their environment. Their identification is challenging in highly organic matter rich environments like peatlands due to low solubilization and metal scarcity and high matrix complexity. In contrast to common approaches based on sample modification by spiking of metal isotope tags, we have developed a two-dimensional...
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FEM modelling of screw displacement pile interaction with subsoil
PublikacjaPredicting the-settlement characteristics of piles is an important element in the designing of pile foundations. The most reliable method in evaluating pile-soil interaction is the static load test, preferably performed with instrumentation for measuring shaft and pile base resistances. This, however, is a mostly post-implementation test. In the design phase, prediction methods are needed, in which numerical simulations play an...
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Naturally-derived hydrogels for 3D pancreatic tumor models: A short review
PublikacjaStatistics suggest a high proportion of mortality rate by pancreatic cancer, which is a solid tumor characterized by high heterogeneity and the presence of a complex extracellular matrix. The very low effectiveness of pancreatic cancer treatment roots in the high metastatic potential and drug resistance of this tumor. Therefore, the quest for efficient cellular models enabling precise mimicking in vivo conditions, and anticancer...
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Influence of the grains shape on the mechanical behavior of granular materials
PublikacjaDiscrete Element Method is a numerical method suitable for modeling geotechnical problems concerning granular media. In most cases simple forms of grains, like discs or spheres, are used. But these shapes are capable of soil behavior modeling up to a certain point only, they cannot reflect all of the features of the medium (large shear resistance and large volumetric change). In order to reflect the complex behavior of the real...
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Modeling hydrolysis of slowly biodegradable organic compounds in biological nutrient removal activated sludge systems
PublikacjaHydrolysis is an important process in biological wastewater treatment and is known to be the ratelimiting step in organic carbon removal from municipal or industrial wastewater. The influence of the readily biodegradable chemical oxygen demand fraction in biological wastewater treatment systems has been extensively investigated, but little is known about the effects of slowly biodegradable substrate (XS) on denitrification and...
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Komputerowe modelowanie geometryczne w kształceniu architektonicznym I stopnia
PublikacjaDynamiczny rozwój technik cyfrowych i wynikające stąd postępujące zmiany w oprogramowaniu powodują wzrost znaczenia znajomości komputerowych metod wspomagania projektowania w warsztacie zawodowym architekta. W trosce o zapewnienie studentom możliwości rozwijania kompetencji w tym zakresie, konieczna jest stała analiza oraz potrzeba rozszerzania i wzbogacania treści programowych w ramach istniejąch programów kształcenia. Tematyka...
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The possibility of estimating the height of the ionospheric inhomogeneities based on TEC variations maps obtained from dense GPS network
PublikacjaA state of the ionosphere can be effectively studied using electromagnetic signals received from global navigation satellite systems (GNSS). Utilization of the dual frequency observations allows estimating values of the total electron content (TEC). They can be used for a number of scientific studies such as detection and monitoring of traveling ionospheric disturbances or plasma bubbles. Moreover, maps of TEC variations allow...
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The effect of imidazolium ionic liquid on the morphology of Pt nanoparticles deposited on the surface of SrTiO3 and photoactivity of Pt–SrTiO3 composite in the H2 generation reaction
PublikacjaPhotocatalytic water splitting has great potential in solar-hydrogen production as a low-cost and environmentally friendly method. Different unique techniques used to obtain photocatalysts with various modifications to improve H2 generation have been introduced. In the present work, SrTiO3 was successfully synthesized via the solvothermal method in the presence of ionic liquid (IL) - 1-butyl-3-methylimidazolium bromide ([BMIM][Br])...
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Strategies for mitigating nitrous oxide production and decreasing the carbon footprint of a full-scale combined nitrogen and phosphorus removal activated sludge system
PublikacjaNitrous oxide (N2O) emitted from biological nutrient removal activated sludge systems contributes significantly to the total carbon footprint of modern wastewater treatment plants. In the present study, N2O production and emissions were experimentally determined in a large-scale plant (220,000 PE) employing combined nitrogen (N) and phosphorus (P) removal. As a modelling tool, the Activated Sludge Model 2d (ASM2d) was extended...
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Modelling and computer animation of geodetic field work
Publikacja3D modelling of objects is a way of obtaining information, while the visualization of geospatial data is becoming a production task in the scope of surveying. Visualization of geospatial data provides effective tools for analysis information about the land surface, land cover, its features, properties etc. Computer animations, both 2D images and 3D are becoming additional, expected and clear form for presentation results of geodetic...
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Structural motifs in the Cu(II), Mn(II) and Zn(II) complexes based on N,N,N-donor dipodal or N,N,N,N-donor tripodal ligands obtained in situ: Synthesis, crystal structures and xanthine oxidase inhibition properties
PublikacjaA series of four novel transition metal complexes, [Cu(NCS)2L1] (1), [Mn(NCS)2L1] (2) where L1 = bis(1-(3,5-dimethylpyrazolyl)methyl)amine, [Mn(NCS)2L2] (3) and [Zn(NCS)L2]2[Zn(NCS)4] (4) where L2 = tris(1-(3,5-dimethylpyrazolyl)methyl)amine, has been obtained in situ by a one-step, one-pot synthetic path starting from 1-hydroxymethyl-3,5-dimethylpyrazole (L). The isolated complexes were fully characterised by elemental analysis,...
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Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates
PublikacjaAbstract A series of diaminium thiosulfates, derivatives of diamines: NH2CH2CH(CH3)NH2 (1) and NH2(CH2)nNH2, n = 3-6 (2-5 respectively)and thiosulfuric acid were prepared and their structures determined by crystal X-ray diffraction analysis. Compounds 1, 2 and 4 turned out to be hydrates. The crystal structure of 1,2-proylenediaminium thiosulfate is chiral and exhibits spontaneous resolution. Crystals for both enantiomers...
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The Influence of COD Fraction Forms and Molecules Size on Hydrolysis Process Developed by Comparative OUR Studies in Activated Sludge Modelling
PublikacjaThe activated sludge models (ASMs) commonly used by the International Water Association (IWA) task group are based on chemical oxygen demand (COD) fractionations. However, the proper evaluation of COD fractions, which is crucial for modelling and especially oxygen uptake rate (OUR) predictions, is still under debate. The biodegradation of particulate COD is initiated by the hydrolysis process, which is an integral part of an ASM....
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Rediscovering Automatic Detection of Stuttering and Its Subclasses through Machine Learning—The Impact of Changing Deep Model Architecture and Amount of Data in the Training Set
PublikacjaThis work deals with automatically detecting stuttering and its subclasses. An effective classification of stuttering along with its subclasses could find wide application in determining the severity of stuttering by speech therapists, preliminary patient diagnosis, and enabling communication with the previously mentioned voice assistants. The first part of this work provides an overview of examples of classical and deep learning...
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Numerical simulation of temperature distribution of heat flow on reservoir tanks connected in a series
PublikacjaThe flow of temperature distribution through a medium in thermodynamic studies plays an important role in understanding physical phenomena in chemical science and petroleum engineering, while temperature distribution indicates the degree of reaction that must be undergone to obtain the final product. Therefore, this paper aims to present and apply the exponential matrix algorithm (EMA), differential transformation algorithm (DTA),...
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Fully Isohexide-Based Polyesters: Synthesis, Characterization, and Structure-Properties Relations
PublikacjaHere we present a novel series of biobasedpolyesters solely based on renewable isohexide building blocks,synthesized via melt polymerization. The recently developedisoidide dicarboxylic acid (IIDCA) was polymerized with rigidrenewable diols such as isosorbide (IS), isomannide (IM),isoidide (II), and the novel 2,5-methylene-extended isoididedimethanol (IIDML). Both IIDCA and IIDML weredeveloped to increase the reactivity of the...
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Hydraulic fracturing process in rocks – small-scale simulations with a novel fully coupled DEM/CFD-based thermo-hydro-mechanical approach
PublikacjaW artykule przedstawiono dwuwymiarową (2D) symulację numeryczną szczelinowania hydraulicznego w małej skali przeprowadzoną w próbkach skał posiadających pojedynczą szczelinę wtryskową. Wykorzystano unikalny model termo-hydro-mechaniczny (THM) w skali porów oparty na DEM/CFD do symulacji dwufazowego laminarnego przepływu płynu (wody i gazu) z przenoszeniem ciepła w nienasyconych materiałach porowatych o niskiej porowatości. Korzystając...
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Nanoparticles and nanofiltration for wastewater treatment: From polluted to fresh water
PublikacjaWater pollution poses significant threats to both ecosystems and human health. Mitigating this issue requires effective treatment of domestic wastewater to convert waste into bio-fertilizers and gas. Neglecting liquid waste treatment carries severe consequences for health and the environment. This review focuses on intelligent technologies for water and wastewater treatment, targeting waterborne diseases. It covers pollution prevention...
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Cyclodextrin polymers as efficient adsorbents for removing toxic non-biodegradable pimavanserin from pharmaceutical wastewaters
PublikacjaPresence of even small amount of active pharmaceutical ingredients in the environment carries risks tohuman and animal health, presenting an important issue. The paper presents issues related to the newdrug - pimavanserin (PMV). Biological treatment efficiency of pimavanserin (PMV) was evaluated usinglab-scale Sequencing Batch Reactor (SBR). It has been shown to have a negative effect on aquatic or-ganisms by classifying it as...
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ATR FT-IR H2O spectra of acidic aqueous solutions. Insights about proton hydration
PublikacjaW artykule podjęto próbę ilościowej analizy widm oscylacyjnych H2O w wodnych roztworach kwasów. Widma H2O dostarczają głównie informacji o stanie strukturalnym cząsteczek wody, wynikającym ze sprzężeń oscylatorów w układzie. Są jednak znacznie trudniejsze w interpretacji niż widma HDO. Widma wodnych roztworów kwasów jednoprotonowych (HCl, HClO4, HPF6) zmierzono posługując się spektroskopią FT-IR w technice osłabionego wewnętrznego...
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Projekt robotycznego mikro-nadgarstke dla potrzeb chirurgii laparoskopowej wykonany w technologii MEMS = The project of robotic micro-wrist for the laparoscopic surgery, made in MEMS technology
PublikacjaArtykuł przedstawia proces projektowania robotycznego mikro-nadgarstka dla potrzeb chirurgii laparoskopowej przy zastosowaniu technologii MEMS (z ang. MicroElectroMechanicalSystems) i oryginalnej architektury 3D o trzech stopniach swobody. Mikro-laparoskopia, inaczej igłoskopia (z ang. needlescoopy), jest obecnie jednym z nowo kształtujących się tematów w dziedzinie robotyki medycznej o perspektywach szybkiego rozwoju. Operacja...
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Variable Data Structures and Customized Deep Learning Surrogates for Computationally Efficient and Reliable Characterization of Buried Objects
PublikacjaIn this study, in order to characterize the buried object via deep-learning-based surrogate modeling approach, 3-D full-wave electromagnetic simulations of a GPR model has been used. The task is to predict simultaneously and independent of each characteristic parameters of a buried object of several radii at different positions (depth and lateral position) in various dispersive subsurface media. This study has analyzed variable...
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Graphene oxide aerogels for adsorptive separation of aromatic hydrocarbons and cycloalkanes
PublikacjaEfficient separation of benzene and cyclohexane has critical importance for production of commodity chemicals, and is one of the most challenging separations in the industry. Physisorption by recyclable, porous solids has a significant potential in substituting energy-intensive azeotropic or extractive distillation methods. Reduced graphene oxide aerogels (rGOAs) are emerging materials holding great promise for connecting unique...
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Influence of grain shape on the mechanical behaviour of granular materials
PublikacjaWe performed series of numerical vertical compression tests on assemblies of 2D granular material using a Discrete Element code and studied the results in regard to the grain shape. The samples consist of 5000 grains made either of 3 overlapping discs (clump - grain with concavities) or of six-edged polygons (convex grain). These two types of grains have a similar external envelope, ruled with a geometrical parameter α. In the...
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Implementation of Solute Transport in the Vadose Zone into the “HYDRUS Package for MODFLOW”
PublikacjaThe “HYDRUS package for MODFLOW” is an existing MODFLOW package that allows MODFLOW to simultaneously evaluate transient water flow in both unsaturated and saturated zones. The package is based on incorporating parts of the HYDRUS‐1D model (to simulate unsaturated water flow in the vadose zone) into MODFLOW (to simulate saturated groundwater flow). The coupled model is effective in addressing spatially variable saturated‐unsaturated...
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Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies
PublikacjaA series of new linear trisubstituted N1-acylamidrazones have been investigated using a variety of analytical techniques and theoretical calculations to check the influence of the type of N1-acyl substituent on the resonance forms and conformational behavior in the solid state and in solution. The 1D- and 2D-NMR experiments, supported by computational studies, revealed that in solution all amidrazones exhibit conformational syn/anti...
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Comparative Study of Balancing SRT by Using Modified ASM2d in Control and Operation Strategy at Full-Scale WWTP
PublikacjaDetailed knowledge on the composition of the influent going into the wastewater treatment system is essential for the development of a reliable computer model. In the context of WWTPs (wastewater treatment plants), the wastewater characteristics are not only important for activated sludge system modelling, but also have an impact on the appropriate control of single unit operations. The aim of this study was to evaluate the concepts...
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Modeling organic nitrogen conversions in activated sludge bioreactors
PublikacjaFor biological nutrient removal (BNR) systems designed to maximize nitrogen removal, the effluent total nitrogen (TN) concentration may range from 2.0 to 4.0 g N/m3 with about 25-50% in the form of organic nitrogen (ON). In this study, current approaches to modeling organic N conversions (separate processes vs. constant contents of organic fractions) were compared. A new conceptual model of ON conversions was developed and combined...
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Emerging oxidized and defective phases in low-dimensional CrCl3
PublikacjaTwo-dimensional (2D) magnets such as chromium trihalides CrX3 (X ¼ I, Br, Cl) represent a frontier for spintronics applications and, in particular, CrCl3 has attracted research interest due its relative stability under ambient conditions without rapid degradation, as opposed to CrI3. Herein, mechanically exfoliated CrCl3 flakes are characterized at the atomic scale and the electronic structures of pristine, oxidized, and defective...
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Facet effect of TiO2 nanostructures from TiOF2 and their photocatalytic activity
PublikacjaIn this study, special attention is focused on the design of TiO2 morphology and microstructure in the two-step preparation procedure using TiOF2 as a precursor to study their photodegradation mineralization efficiency. Firstly, TiOF2 was synthesized by a simple solvothermal method using titanium(IV) tetrafluoride, which was further used as a precursor in preparation of anatase 2D nanosheets, octahedral, decahedral, and rectangular prisms...
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Electromagnetic Field Associated With Dermoscope Magnets May Affect the Safety of Cardiac Implanted Electronic Devices Patients
PublikacjaDermoscopy is currently used as an auxiliary tool in general dermatology. Since some commercially available dermoscopes have built-in magnets, electromagnetic interference (EMI) may occur when examining cardiac implantable electronic devices (CIED) patients. The aim of the study was to create maps of electromagnetic fields defining a safe distance in terms of EMI. The study was performed in laboratory conditions using measuring...
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Effect of gas content in macropores on hydraulic fracturing in rocks using a fully coupled DEM/CFD approach
PublikacjaW pracy skupiono się na wpływie zawartości gazu w makroporach skał na proces szczelinowania hydraulicznego. Proces został zasymulowany przez połączenie metody elementów dyskretnych (DEM) z obliczeniową dynamiką płynów (CFD) w ramach dwuwymiarowych (2D) warunków izotermicznych. Mechaniczne zachowanie skały zostało zasymulowane za pomocą DEM, a CFD została wykorzystana do opisu zachowanie przepływu laminarnego, dwufazowego płynu...