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Search results for: THEORETICAL WORKING VOLUME
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Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN
PublicationRadiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory...
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Control of the bridge span vibration with high coefficient passive damper. Theoretical consideration and application
PublicationThe research was carried out due to the problem of vibration on the lively pedestrian drawbridge across the Motlawa River in the city of Gdansk. In the design stage, the main span of the footbridge showed unfavorable dynamic properties, which may create a comfort problem for pedestrians. The first vertical bending eigenfrequency was recognized as 1.64 Hz. The original design of the footbridge was equipped with a driving cylinder...
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Photoresponsive Amide-Based Derivatives of Azobenzene-4,4′-Dicarboxylic Acid—Experimental and Theoretical Studies
PublicationAzobenzene derivatives are one of the most important molecular switches for biological and material science applications. Although these systems represent a well-known group of compounds, there remains a need to identify the factors influencing their photochemical properties in order to design azobenzene-based technologies in a rational way. In this contribution, we describe the synthesis and characterization of two novel amides...
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Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule
PublicationAbsolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The...
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Theoretical treatment of charge-transfer processes induced by collision of C^q+ ions with uracil
PublicationWychwyt ładunku został opisany teoretycznie przy użyciu podstawowych metod chemii kwantowej, uzupełnionych półklasycznym opisem dynamiki zachodzącego procesu. Otrzymane przekroje czynne pokazują zróżnicowane zachowanie pod wpływem struktury elektronowej badanego jonu i mogą służyć do wyjaśniania prowadzonych badań doświadczalnych.
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Long-working-distance Raman system for monitoring of uPA ECR CVD process of thin diamond/DLC layers growth
PublicationW artykule przedstawiono konstrucję systemu optoelektronicznego do monitoringu ramanowskiego in-situ procesu μPA ECR CVD (ang.: Microwave Plasma Assisted Electron Cyclotron Resonance Chemical Vapour Deposition), stosowanego do osadzania cienkich warstw diamentowych i diamentopodobnych DLC. System ma budowę modułową i wyposażony jest w dedykowane sondy optyczne. Przedstawiono wyniki pomiarów testowych, potwierdzjące, że system posiada...
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Acute Effects of Using Added Respiratory Dead Space Volume in a Cycling Sprint Interval Exercise Protocol: A Cross-Over Study
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Comparative Study on Effects of Thermal Gradient Direction on Heat Exchange between a Pure Fluid and a Nanofluid: Employing Finite Volume Method
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Znaczenie objętości początkowej materiału w przebiegu krzywych erozji kawitacyjnej = Importance of initial volume of material for cavitation erosion curve
PublicationW pracy przedstawiono rozważania na temat wpływu wielkości początkowej objętości materiału niszczonego pod wpływem obciążeń kawitacyjnych, na przebieg krzywych erozji tj. ubytku objętości materiału w czasie. Zaproponowano model matematyczny opisu krzywych erozji kawitacyjnej z uwzględnieniem tego wpływu.
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Experimental and theoretical study of a vertical tube in shell storage unit with biodegradable PCM for low temperature thermal energy storage applications
PublicationThis article presents the experimental investigations of the coconut oil-based TES module for HVAC applications in the ambient and-sub ambient temperature range. To properly study this problem modular experimental module and test loop were developed. Special attention has been paid to study the physical mechanism of the melting/solidification process for natural substance (coconut oil) which has perspectives to be used in thermal...
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CO2 capture using steam ejector condenser under electro hydrodynamic actuator with non-condensable gas and cyclone separator: A numerical study
PublicationThe concept for condensation of steam and CO2 separation in a negative CO2 emission gas power plant involves the utilization of a steam ejector condenser (SEC) for direct-contact condensation of vapor with inert gas (CO2) on a spray of subcooled liquid, integrated with a separator to produce pure CO2. Due to the increasing diffusion resistance and reduced convective heat transfer between the steam and subcooled water phases...
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Anthropogenic trace metals in Setiu Wetland: Spatial and seasonal distribution and implications for environmental health
PublicationThe growing urban wastewater volume poses a major global environmental challenge, especially in developing nations where inadequate treatment and discharge impact clean water availability. This study focused on Setiu Wetland, aiming to analyze seasonal and spatial variations of trace metals in particulate form from anthropogenic and pathogenic sources. Surface water samples were collected from multiple stations, measuring physical...
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Addressing challenges of BiVO4 light-harvesting ability through vanadium precursor engineering and sub-nanoclusters deposition for peroxymonosulfate-assisted photocatalytic pharmaceuticals removal
PublicationIn this study, we present a complex approach for increasing light utilisation and peroxymonosulfate (PMS) activation in BiVO4-based photocatalyst. This involves two key considerations: the design of the precursor for BiVO4 synthesis and interface engineering through CuOx sub-nanoclusters deposition. The designed precursor of ammonium methavanadate (NH4VO3, NHV) leads to reduction in particle size, better dispersion and improved light...
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Effects of consecutive apneas on pial artery pulsation and subarachnoid width in healthy subjects
PublicationHypercapnia is known to dilate the pial artery, disrupt cerebral autoregulation and increase pial artery pulsation. The cerebral blood flow velocity (CBFV) response to hypercapnia is biphasic. Below the threshold for the increase of blood pressure (BP) with carbon dioxide partial pressure (pCO2), the CBFV measurement reflects vascular reactivity to pCO2 alone at a constant BP. Above this threshold, the CBFV measurement provides...
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On the relationship between the structural and volumetric properties of solvated metal ions in O-donor solvents using new structural data in amide solvents
PublicationThe structures of the N,N-dimethylformamide (dmf), N,N-dimethylacetamide (dma), and N,N-dimethylpropionamide (dmp) solvated strontium and barium ions have been determined in solution using large angle X-ray scattering and EXAFS spectroscopy. The strontium ion has a mean coordination number (CN) between 6.2 and 6.8, and the barium ion has a mean CN between 7.1 and 7.8 in these amide solvents. The non-integer numbers indicates that...
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Porous carbon derived from rice husks as sustainable bioresources: insights into the role of micro-/mesoporous hierarchy in hosting active species for lithium–sulphur batteries
PublicationThe exploration of natural resources as sustainable precursors affords a family of green materials. Exploring highly abundant and available biowaste precursors remaining from food processing throughout a scalable and cost-effective material synthesis path is highly important especially for new materials discovery in emerging energy storage technologies such as lithium–sulphur (Li–S) batteries. Herein, we have produced a series...
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SYNTHESIS AND STRUCTURAL CHARACTERIZATION OF NIOBIUM-DOPED HYDROXYAPATITE CERAMICS
PublicationHydroxyapatite (HAp) ceramic materials are considered as one of the most promising implant materials in bone surgery and in dentistry. They exhibit unique biocompatibility, bioactivity, and osteoconductivity, which are the most desirable biomaterial features. However, HAp itself is brittle, has low strength, high degree of crystallinity and low solubility at physiological pH. Doping synthetic HAp with metal ions plays an important...
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Rapid tolerance‐aware design of miniaturized microwave passives by means of confined‐domain surrogates
PublicationThe effects of uncertainties, primarily manufacturing tolerances but also incomplete information about operating conditions or material parameters, can be detrimental to the performance of microwave components. Quantification of such effects is essential to ensure a meaningful evaluation of the structure, in particular, its reliability under imperfect fabrication procedures. The improvement of the circuit robustness can be achieved...
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The resistance of S235JR steel to cavitation erosion
PublicationThe erosion resistance of S235JR steel to flow cavitation was investigated. In order to understand an influence of steel properties and cavitation intensities on the degradation mechanisms, low-carbon S235JR steel was tested in the as-received state and after thermal treatment (annealing) under four different flow velocities. Annealing decreased steel hardness, which made S235JR steel less resistant to cavitation erosion. The performed...
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Expedited Yield Optimization of Narrow- and Multi-Band Antennas Using Performance-Driven Surrogates
PublicationUncertainty quantification is an important aspect of engineering design, also pertaining to the development and performance evaluation of antenna systems. Manufacturing tolerances as well as other types of uncertainties, related to material parameters (e.g., substrate permittivity) or operating conditions (e.g., bending) may affect the antenna characteristics. In the case of narrow- or multi-band antennas, this usually leads to...
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Estimation of Broadband Complex Permeability Using SIW Cavity-Based Multimodal Approach
PublicationIn this article, an attractive multimodal substrate integrated waveguide (SIW) based methodology is presented for the characterization of magnetic materials in the broadband microwave frequency. The proposed approach employs a modified feed under-coupled SIW cavity instead of conventional feed over-coupled multiple SIW cavities; it uses the modified closedform expression, developed from the first principle to consider the effect...
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The occurrence of heavy metals and metal-resistant bacteria in water and bottom sediments of the Straszyn reservoir (Poland)
PublicationThe aim of this study is investigate the distribution of selected heavy metals (zinc, copper, lead, cadmium) and metal-resistant bacteria in water and bottom sediments of drinking water reservoir for Gdańsk (Poland). The research area - Straszyn Lake is a dam reservoir on Radunia river, of the total volume of 3 mln m3. Sediment and water sampling took place between May and October 2013 (eight series). Regarding metal concentration...
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On the Role of Polarimetric Decomposition and Speckle Filtering Methods for C-Band SAR Wetland Classification Purposes
PublicationPrevious wetlands studies have thoroughly verified the usefulness of data from synthetic aperture radar (SAR) sensors in various acquisition modes. However, the effect of the processing parameters in wetland classification remains poorly explored. In this study, we investigated the influence of speckle filters and decomposition methods with different combinations of filter and decomposition windows sizes on classification accuracy....
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Similarities and differences in the production of renewable energy in Central and Eastern Europe countries
PublicationResearch background: In the era of climate change, environmental degradation, but also growing pub-lic awareness, there is a need to look for new ecological energy sources. This condition can be met by renewable energy sources (RES). The EU seeks to have a 32% share of its gross final energy consumption from renewable sources by 2030. While the EU as a whole is on course to meet its...
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A new concept of PWM duty cycle computation using the Barycentric Coordinates in a Three-Dimensional voltage vectors arrangement
PublicationThe paper presents a novel approach to the Pulse Width Modulation (PWM) duty cycle computing for complex or irregular voltage vector arrangements in the two (2D) and three–dimensional (3D) Cartesian coordinate systems. The given vectors arrangement can be built using at least three vectors or collections with variable number of involved vectors (i.e. virtual vectors). Graphically, these vectors form a convex figure, in particular,...
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European Society of Hypertension Working Group on Obesity Obesity-induced hypertension and target organ damage: current knowledge and future directions
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Experimental and theoretical studies of spectroscopic properties of simple symmetrically substituted diphenylbuta-1,3-diyne derivatives
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Polystyrene/polybutadiene blends: An analysis of the phase-inversion region and cophase continuity and a comparison with theoretical predictions
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Polystyrene/polybutadiene blends: An analysis of the phase-inversion region and cophase continuity and a comparison with theoretical predictions
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Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents
PublicationSolubility is not only a crucial physicochemical property for laboratory practice but also provides valuable insight into the mechanism of saturated system organization, as a measure of the interplay between various intermolecular interactions. The importance of these data cannot be overstated, particularly when dealing with active pharmaceutical ingredients (APIs), such as dapsone. It is a commonly used anti-inflammatory and...
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Polystyrene/polybutadiene blends: an analysis of the phase inversion regionand cophase continuity and a comparison with theoretical predictions.
PublicationMieszaniny przygotowano przez mieszanie w stopie. Występowanie jednego lubobu polimerów w postaci fazy ciągłej stwierdzano przez badanie morfologii przy pomocy skaningowego mikroskopu elektronowego i przez rozpuszczanie jednego ze składników mieszaniny. Badania morfologii mieszanin wykazały, że polistyren występował w postaci globul przy jego zawartości do 30%. Przy zawartości od 40% do 60% obserwowano fazy ciągłe obu...
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Experimental and Theoretical Investigations of the Stability of Two Small Gaseous Dicarboxylate Dianions: Acetylene Dicarboxylate and Succinate
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On the critical temperature discontinuity at the theoretical bcc-fcc phase transition in compressed selenium and tellurium superconductors
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublicationThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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THE THEORETICAL STUDY ON INFLUENCE OF FUEL INJECTION PRESSURE ON COMBUSTION PARAMETERS OF THE MARINE 4-STROKE ENGINE
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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WATER LUBRICATED MAIN SHAFT BEARINGS - MODERN SOLUTION FOR HYDROPOWER INDUSTRY - Experimental and theoretical studies
PublicationWater-lubricated bearings are finding increasingly wide use in various branches of industry. As such, they may also be encountered in hydro power industry. They are also increasingly frequently employed in bearing systems of marine shaft propulsions and water pumps [1]. This rising popularity is due to a number of reasons [2]. First of all, their simple construction has direct impact on the level of pricing which is usually quite...
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Theoretical study of the structure, energetics and vibrational frequencies of water-acetone and water-2-butanone complexes
PublicationKompleksy acetonu i 2-butanonu z 0-2 cząsteczkami wody połączonymi wiązaniem wodorowym z tlenem karbonylowym zbadano z wykorzystaniem teorii funkcjonału gęstości (DFT) na poziomie B3LYP/6-311++G(d,p). Obliczenia w fazie gazowej uzupełniono o optymalizacje w otoczeniu rozpuszczalnika, symulowanego za pomocą modelu polaryzowalnego kontinuum (PCM). Częstości drgań oscylacyjnych otrzymane na podstawie zależności empirycznej sa zgodne...
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Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublicationACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
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Theoretical analysis of a new approach to order determination for a modified Prony method in swath mapping application
PublicationThis article presents a new approach to determine the model order (number of principal components) in the modified Prony method applied to swath acoustic mapping. Determination of the number of principal components is a crucial step in the modified Prony method. In the proposed approach the model order is chosen based on the underlying physical model of the underwater acoustic environment, and utilised signal processing operations....
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Unassisted formation of hemiaminal ether from 4-aminopyridine and o-vanillin - experimental and theoretical study
PublicationThe reactions between o-vanillin and three isomeric aminopyridines lead to imines of diverse spatial conformation and reactivity. The direct products of these simple reactions carried out in methanol are either imine compounds formed in the reactions of 2- amino- and 3-aminopyridine with o-vanillin or the α-aminoether formed in the reaction of o-vanillin with 4-aminopyridine. The Schiff-type derivative of 4-aminopyridine and o-vanillin,...
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Theoretical investigation of the structural insights of the interactions of γ-Fe2O3 nanoparticle with (EMIM TFSI) ionic liquid
PublicationOne of the possible applications of ionic liquids is to produce electricity from heat. The iron oxide nanoparticle is a potent electrical particle, which is expected to improve the heat’s efficiency to electricity conversion, however, it is prone to aggregation and sedimentation, which hamper its application. One of the methods to enhance the nanoparticle’s solubility and electrical properties is the use of a stabilizing component...
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Volume optimization of high-speed surface-mounted permanent magnet synchronous motor based on sequential quadratic programming technique and analytical solution
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Andrzej Klimczuk Economic Foundations for Creative Ageing Policy, Volume 1: Context and Considerations Palgrave Macmillan, 2015. 208 p. $115.00.
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Sensitive Determination of Cd in Small-Volume Samples by Miniaturized Liquid Drop Anode Atmospheric Pressure Glow Discharge Optical Emission Spectrometry
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Effect of grain roughness on strength, volume changes, elastic and dissipated energies during quasi-static triaxial and biaxial compression using DEM
PublicationArtykuł omawia wpływ szorstkości ziaren na wytrzymałość, zmiany objętościowe, sprężyste i dysypywane energie podczas jednorodnego quasi-statycznego trójosiowego i dwuosiowego ściskania. Obliczenia wykonano stosując metodę elementów dyskretnych. W obliczeniach zastosowano różne szorstkości ziaren. Zbadano różne zjawiska na poziomie ziarna w strefie ścinania.
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Effect of grain roughness on strength, volume changes, elastic and dissipated energies during quasi-static homogeneous triaxial compression using DEM
PublicationArtykuł omawia wpływ szorstkości ziaren na wytrzymałość, zmiany objętościowe, sprężyste i dysypywane energie podczas jednorodnego quasi-statycznego trójosiowego ściskania. Obliczenia wykonano stosując metodę elementów dyskretnych. W obliczeniach zastosowano różne szorstkości ziaren.
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Generating actionable evidence from free-text feedback to improve maternity and acute hospital experiences: A computational text analytics & predictive modelling approach
PublicationBackground Patient experience surveys are a key source of evidence for supporting decision-making and quality improvement in healthcare services. These surveys contain two main types of questions: closed and open-ended, asking about patients’ care experiences. Apart from the knowledge obtained from analysing closed-ended questions, invaluable insights can be gleaned from free-text data. Advanced analytics techniques are increasingly...
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Optimizing CO2 Purification in a Negative CO2 Emission Power Plant
PublicationIn the pursuit of mitigating CO2 emissions, this study investigates the optimisation of CO2 purification within a Negative CO2 Emission Power Plant using a spray ejector condenser (SEC) coupled with a separator. The approach involves direct-contact condensation of vapour, primarily composed of an inert gas (CO2), facilitated by a subcooled liquid spray. A comprehensive analysis is presented, employing a numerical model to simulate...
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Why the Solvation Water around Proteins Is More Dense than Bulk Water
PublicationThe main aim of this work is to propose a rational explanation of the commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that the geometry of the water–water hydrogen bond network within solvation layer differs from the one in bulk water, and it is the result of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the...