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Search results for: 2D RICHARDS EQUATION
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Selection of effective cocrystals former for dissolution rate improvement of active pharmaceutical ingredients based on lipoaffinity index
PublicationNew theoretical screening procedure was proposed for appropriate selection of potential cocrystal formers possessing the ability of enhancing dissolution rates of drugs. The procedure relies on the training set comprising 102 positive and 17 negative cases of cocrystals found in the literature. Despite the fact that the only available data were of qualitative character, performed statistical analysis using binary classification...
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Distinguishing of cocrystals from simple eutectic mixtures: phenolic acids as potential pharmaceutical coformers
PublicationThe multiparameter model comprising 1D and 2D QSPR/QSAR descriptors was proposed and validated for phenolic acid binary systems. This approach is based on the optimization of regression coefficients for maximization of the percentage of true positives in the pool of systems comprising either simple binary eutectics or cocrystals. The training set consisted of 58 eutectics and 168 cocrystals. The solid dispersions collection used...
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublicationA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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A stochastic approach for the solution of single and multi – objective optimisation problems of biological processes in sequencing batch reactor
PublicationThis paper investigates the impact of implementing single and multi-optimisation solutions on the biological treatment process in a sequencing batch reactor (SBR). The research is based on a case study of the water resource recovery facility (WRRF) in Swarzewo, Northern Poland. The paper introduces the adaptive extremum seeking control (ESC) method for dissolved oxygen (DO) concentration control and places it in a layered control structure....
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MXene-based composites for capacitive deionization – The advantages, progress, and their role in desalination - A review
PublicationMXenes, a novel large family of 2D transition metal carbides, carbonitrides and nitrides are currently a “hot topic” in science due to their several fascinating physical and chemical properties. It follows from a rich diversity of their elemental compositions and chemical functionalities. MXenes can form composites with many substances, including polymers or metal oxides, which allows to effective “tune” MXene characteristics to...
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Non-uniqueness of fracture parameter choice in simulations of concrete cracking at mesoscale level
PublicationIn the paper a non-uniqueness of fracture parameter choice in simulations of cracking process in plain concrete specimens at mesoscale level under monotonic static loading is analysed. The Finite Element Method is used, where cracks are defined in a discrete way using interface cohesive elements with nonlinear material law including softening. The concrete mesostructure (such as: cement matrix, air voids, aggregates, and Interfacial...
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Thermostability and photophysical properties of mixed-ligand carboxylate/benzimidazole Zn(II)-coordination polymers
PublicationThe reaction between Zn(NO3)2*6H2O or Zn(CH3COO)2*2H2O and isophthalic acid (1,3-H2bdc) in the presence of benzimidazole (Hbzim) in dimethylformamide (DMF)/ethanol (EtOH)/H2O solvent mixture at room temperature yielded two structurally different coordination polymers: [Zn2(1,3-bdc)2(Hbzim)2] (1) and [Zn2(1,3-bdc)(bzim)2] (2). (1) is a 2D-layered framework with a molecule of benzimidazole coordinated to the Zn center, whereas (2)...
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Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties
PublicationUsing 1H-imidazole-4-carboxylic acid (4imCOOH) and 1H-pyrazole-3-carboxylic acid (3pyrCOOH) coordination polymers [Pb(4imCOO)2(H2O)]n (1) and [Pb2(3pyrCOO)4]n (2) were constructed. Obtained polymers were characterized via FT-IR, X-ray, PL and TG methods. The coordination polyhedron around Pb(II) in 1 is described as distorted pentagonal pyramid with hemidirected coordination sphere (based on DFT calculations). Compound 2 consists...
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Enhancement of lift and drag performances of a NACA0012 airfoil by multi-DBD plasma actuator with additional floating interelectrodes
PublicationIt is clear that the improvement of aircraft aerodynamic performances is currently and will continue to be a significant area of research for the aeronautical industry. The current study is focused on theenhancement of aerodynamic airfoil performances by using a multi-DBD plasma actuator mounted around the model leading-edge. Experiments have been conducted at the University of Orleans, in the 2 m x 2 m test section of a large...
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Structure and Molecular Dynamics in Renewable Polyamides from Dideoxy-Diamino Isohexide
PublicationThe chemical structure, the conformation, andthe flexibility of the polymer chain fragments present in thepolyamides synthesized from 2,5-diamino-2,5-dideoxy-1,4;3,6-dianhydrosorbitol, 1,4-diaminobutane, and either sebacic orbrassylic acid have been studied by liquid-state 2D NMRspectroscopy viz. correlation spectra (COSY) and heteronuclearmultiple-bond correlation spectra (gHMBC), by 13Ccross-polarization/magic-angle spinning...
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Skuteczność klasyfikacji gatunków muzycznych za pomocą sieci neuronowej w zależności od typu danych wejściowych
PublicationRozpoznawanie gatunku muzycznego jest jednym z podstawowych elementów inteligentnych systemów tworzenia automatycznych list muzyki. Platformy strumieniowe oferujące taką usługę wymagają rozwiązań, które umożliwią jak najdokładniej określić przynależność utworu do gatunku muzycznego. Zgodnie z aktualnym stanem wiedzy – najskuteczniejszym klasyfikatorem są sztuczne sieci neuronowe (w tym w wersji uczenia głębokiego), dla których...
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Cooperativity of Halogen- and Chalcogen-Bonding Interactions in the Self-Assembly of 4‑Iodoethynyl- and 4,7-Bis(iodoethynyl)benzo-2,1,3-chalcogenadiazoles: Crystal Structures, Hirshfeld Surface Analyses, and Crystal Lattice Energy Calculations
PublicationSeveral new 4-iodoethynyl- and 4,7-bis- (iodoethynyl)benzo-2,1,3-chalcogenadiazoles were prepared, and a comprehensive analysis of the most prominent secondary bonding interactions responsible for the crystal self-assembly was performed using X-ray diffraction. The presence of both the iodoethynyl and chalcogenadiazole moieties allows an evaluation of the preference of these molecules to aggregate through either chalcogen- or halogen-bonding...
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Heat exchange enhancement of jet impingement cooling with the novel humped-cone heat sink
PublicationJet impingement cooling technology is applicable to control temperature of devices, where very high heat flux is generated within a small area. This paper is about the improvement of the jet impingement cooling efficiency by the heat sink geometry modification. Two reference cases were sourced from the literature – flat heat sink and modified one with cone in the jet stagnation region. Such a change improves cooling capability...
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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
PublicationTwo 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
PublicationNovel, 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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Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents
PublicationThe thermodynamic properties of phenacetin in solid state and in saturated conditions in neat and binary solvents were characterized based on differential scanning calorimetry and spectroscopic solubility measurements. The temperature-related heat capacity values measured for both the solid and melt states were provided and used for precise determination of the values for ideal solubility, fusion thermodynamic functions, and...
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Theory versus experiment for vacuum Rabi oscillations in lossy cavities. II. Direct test of uniqueness of vacuum
PublicationThe paper continues the analysis of vacuum Rabi oscillations we started in part I [Phys. Rev. A 79, 033836 (2009)]. Here we concentrate on experimental consequences for cavity QED of two different classes of representations of harmonic-oscillator Lie algebras. The zero-temperature master equation, derived in part I for irreducible representations of the algebra, is reformulated in a reducible representation that models electromagnetic...
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Impact of information systems (IS) infusion on Open Government Data (OGD) adoption
PublicationPurpose – This study aims to underline the possible influence of the moderator, information systems (IS) infusion, on Open Government Data (OGD) adoption and usage. Design/methodology/approach – Using the partial least squares-structural equation modeling methodological approach, the adapted unified theory of acceptance and use of technology (UTAUT) model has been used for understanding the role of themoderating variable, namely,...
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Experimental observations on the creep behaviour of frozen soil
PublicationConstitutive models in the literature for creep of frozen soil are based on the direct use of time counted from the onset of creep. An explicit time dependence in a constitutive equation violates the principles of rational mechanics. No change in stress or temperature is allowed for during creep, using the time-based formulations. Moreover, the existing descriptions need much verification and improvement on the experimental side...
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CREATING A RANKING OF DIAGNOSTIC PARAMETERS FOR THE DYNAMIC PROCESS OF A MARINE COMBUSTION ENGINE IN THE ASPECT OF MULTI-CRITERIA EVALUATIONS
PublicationThe change of some of the engine’s structural parameters affects the change of toxic compound emission in exhaust gases. It mainly applies to the damage sustained by the charge exchange system as well as the fuel system and the engine supercharging system. These changes are definitely higher during dynamic states and the related transient states. As such, it is possible to speak of a diverse sensitivity of the diagnostic parameters...
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Organizational IT Competency, Knowledge Workers and Knowledge Sharing
PublicationIT competency plays a vital role in knowledge management processes. Information technology affects an organization’s ability to store and recall knowledge that has been made explicit through codification, including different forms such as written documents, reports, presentations, patents, formulas, etc. This study aims to measure the influence of a company’s IT competency dimensions such as IT-knowledge,...
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Self-compacting grout to produce two-stage concrete
PublicationTraditional concrete (TC) is primarily composed of a mixture of cement, fine and coarse aggregates, and water. TC is made by mixing together all the components before placing them. Using non-traditional concrete (two-stage concrete) to solve and to eliminate the problem of the aggregate segregation which appears in TC and in the self-compacting concrete. Two-stage concrete (TSC) consists of two main components, namely the grout...
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Characterization of the Functionally Graded Shear Modulus of a Half-Space
PublicationIn this article, a method is proposed for determining parameters of the exponentialy varying shear modulus of a functionally graded half-space. The method is based on the analytical solution of the problem of pure shear of an elastic functionally graded half-space by a strip punch. The half-space has the depth-wise exponential variation of its shear modulus, whose parameters are to be determined. The problem is reduced to an integral...
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Postquarter-Point Case of Ship’s Side-Berthing and Its Influence on Marine Fender Pitch
PublicationThis paper presents a critical analysis of some selected codes and practical recommendations used as basic rules in the design procedures of modern marine fender systems. The first part of the discussion pertains to the existing equations used in calculating the eccentricity coefficient in the ship’s kinetic energy equation and the maximum allowable fender pitch (spacing) in a set of fenders installed along a quay wall. A new approach...
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Market knowledge and new product performance: the mediating effects of new product performance
PublicationMarket knowledge is recognised as an important predictor of new product performance, which existing studies have proven. However, a missing link in this relationship is creativity, and specifically, as a natural process in product innovation. This study aims to examine a model that includes two mediating mechanisms between market knowledge scope and two new product outcomes, respectively: a new product’s competitive advantage and...
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Numerical Analysis of an Impact of Planned Location of Sewage Discharge on Natura 2000 Areas – The Dead Vistula Region Case Study
PublicationThis article presents results of an analysis of impact of a designed discharge of contaminated water into the Dead Vistula (Wisła Martwa) in the region of the Isthmus (Przesmyk) with the aim of determination of a possible effect of the pollution onto protected areas of Natura 2000 (bird habitats and sites, especially the Bird Paradise – Ptasi Raj) nature reserve. The analysis was conducted on the basis of the two-dimensional modelling...
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If Gravity is Geometry, is Dark Energy just Arithmetic?
PublicationArithmetic operations (addition, subtraction, multiplication, division), as well as the calculus they imply, are non-unique. The examples of four-dimensional spaces, R^4 and (−L/2,L/2)^4, are considered where different types of arithmetic and calculus coexist simultaneously. In all the examples there exists a non-Diophantine arithmetic that makes the space globally Minkowskian, and thus the laws of physics are formulated in terms...
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Hyperbolic heat conduction at a microscopic sliding contact with account of adhesion-deformational heat generation and wear
PublicationDifferent non-Fourier models were proposed to simulate temperatures in materials subjected to extremely fast thermal disturbances, when the speed of heat propagation should be concerned. The present study investigated temperature and heat balance at a microscopic sliding contact during a single frictional interaction based on the Cattaneo-Vernotte hyperbolic heat conduction equation. Two fundamental features of friction, namely,...
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Maxillary sinus aeration analysis using computational fluid dynamics
PublicationThe maxillary sinus aeration using the computational fluid dynamics (CFD) method based on individual adult patients’ computed tomography (CT) scans were analyzed. The analysis was based on CT images of 4 patients: one with normal nose anatomy and three with nasal septal deviation (NSD) and concha bullosa (CB). The CFD simulation was performed using the Reynolds-Average Simulation approach and turbulence closure based on linear...
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AutoCAD: Examination of Factors Influencing User Adoption
PublicationThe primary purpose of the research is to examine and validate determinants of user intention to use AutoCAD software, utilising the constructs from prior studies in a more integrated model. The paper proposes a revised Technology Acceptance Model (TAM) for measuring the adoption of AutoCAD. In the study, a latent construct PPA (perceived physical accessibility) was added to the proposed research model as a new determinant of AutoCAD...
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Magnetic switching of Kerker scattering in spherical microresonators
PublicationMagneto-optical materials have become a key tool in functional nanophotonics, mainly due to their ability to offer active tuning between two different operational states in subwavelength structures. In the long-wavelength limit, such states may be considered as the directional forward- and back-scattering operations, due to the interplay between magnetic and electric dipolar modes, which act as equivalent Huygens sources. In this...
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Mind the Gender Wage Gap – the Impact of Trade and Competition on Sectoral Wage Difference
PublicationThis article examines differences between women’s and men’s wages in 18 selected OECD countries in the period 1970-2005. The study is based on 12 manufacturing sector- and skill-specific sets of panel data on the gender wage gap. We apply a system GMM estimator to the extended version of the conditional gender wage gap convergence equation, controlling for sector concentration and industry-specific measures of openness using a...
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Oprzyrządowanie technologicznych systemów wytwarzania (PG_00050175)
e-Learning CoursesWYKŁAD: Rola oprzyrządowania w systemach wytwarzania części maszyn. Błędy wpływające na dokładność wykonania w uchwytach obróbkowych. Ustalenie przedmiotu w uchwycie. Zamocowanie przedmiotu w uchwycie. Ustalenie i zamocowanie uchwytu na obrabiarce. Uchwyty tokarskie. Uchwyty wiertarskie. Uchwyty frezarskie. Uchwyty modułowe. Uchwyty narzędziowe. Oprzyrządowanie montażowe. Zasady użytkowania uchwytów uniwersalnych. Koszty stosowania...
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Structural analysis and physico-chemical characterization of mononuclear manganese(II) and polynuclear copper(II) complexes with pyridine-based alcohol
PublicationTwo 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
PublicationThe 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
PublicationThe 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
PublicationIn 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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Chiral analysis of chloro intermediates of methylamphetamine by one-dimensional and multidementional NMR and GC/MS
PublicationImpurity 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
PublicationIn 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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Enhancing Seismic Performance of Semi-rigid Connection Using Shape Memory Alloy Bolts Considering Nonlinear Soil–Structure Interaction
PublicationSteel 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
PublicationBio-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
PublicationThe 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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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublicationIn this work, the novel deep eutectic solvents (DESs) based on 3-amino-1-propanol (AP) as hydrogen bond donor (HBD) and tetrabutylammonium bromide (TBAB) or tetrabutylammonium chloride (TBAC) or tetraethylammonium chloride (TEAC) as hydrogen bond acceptors (HBAs) were synthesized with different molar ratios of 1: 4, 1: 6 and 1: 8 salt to AP. Fourier Transform Infrared Spectroscopy measurements were performed to provide an evidence...
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Effective method for determining environmental loads on supporting structures for offshore wind turbines
PublicationThis paper presents a description of an effective method for determining loads due to waves and current acting on the supporting structures of the offshore wind turbines. This method is dedicated to the structures consisting of the cylindrical or conical elements as well as (truncates) pyramids of polygon with a large number of sides (8 or more). The presented computational method is based on the Morison equation, which was originally...
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Supply current signal and artificial neural networks in the induction motor bearings diagnostics
PublicationThis paper contains research results of the diagnostics of induction motor bearings based on measurement of the supply current with usage of artificial neural networks. Bearing failure amount is greater than 40% of all engine failures, which makes their damage-free operation crucial. Tests were performed on motors with intentionally made bearings defects. Chapter 2 introduces the concept of artificial neural networks. It presents...
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Effective method for determining environmental loads on supporting structures for offshore wind turbines
PublicationThis paper presents a description of an effective method for determining loads due to waves, current and wind acting on the supporting structures of the offshore wind turbines. This method is dedicated to the structures consisting of the cylindrical or conical elements as well as (truncates) pyramids of polygon with a large number of sides (8 or more). The presented computational method is based on the Morison equation, which was...
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Pressure effects on the superconductivity of the HfPd2Al Heusler compound: Experimental and theoretical study
PublicationPolycrystalline HfPd2Al has been synthesized using the arc-melting method and studied under ambient-pressure conditions by x-ray diffraction from room temperature up to 450 °C. High-pressure x-ray diffraction up to 23 GPa was also performed using Diacell-type membrane diamond anvil cells. The estimated linear thermal expansion coefficient was found to be α=1.40(3)×10−5K−1, and the bulk modulus derived from the fit to the third-order...
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Solvation of ionic liquids based on N-methyl-N-alkyl morpholinium cations in dimethylsulfoxide – volumetric and compressibility studies
PublicationThe density and sound velocity of the solutions of ionic liquids based on N-alkyl-N-methyl-morpholinium cations, N-ethyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-methyl-N-octyl-morpholinium bis(trifluoromethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide in dimethylsulfoxide were measured at T = (298.15 to 318.15)...
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Assessment of dynamic characteristics of thin cylindrical sandwich panels with magnetorheological core
PublicationBased on the equivalent single-layer linear theory for laminated shells, free and forced vibrations of thin cylindrical sandwich panels with magnetorheological core are studied. Five variants of available magnetorheological elastomers differing in their composition and physical properties are considered for smart viscoelastic core. Coupled differential equations in terms of displacements based on the generalized kinematic hypotheses...
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Transformational leadership for researcher’s innovativeness in the context of tacit knowledge and change adaptability
PublicationThis study explores how a learning culture supported by transformational leadership influences tacit knowledge sharing and change adaptability in higher education and how these relations impact this sector’s internal and external innovativeness. The empirical model was tested on a sample of 368 Polish scientific staff using the structural equation modeling (SEM) method. Then results were expanded by applying OLS regression using...