Search results for: LINEAR FREE ENERGY RELATIONSHIP
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Vitamin B9 as a new eco-friendly corrosion inhibitor for copper in 3.5% NaCl solution
PublicationFolic acid salt (sodium folate) was studied as an eco-friendly and non-toxic copper corrosion inhibitor in 3.5% NaCl solution. Electrochemical impedance spectroscopy, polarization resistance and weight-loss measurements show that the inhibitor efficiency increases with concentration (the highest value- approx. 96% was reported for the solution containing 16 mM sodium folate after 24 h). EIS data and Tafel plots indicate that sodium...
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Multiple sound sources localization in free field using acoustic vector sensor
PublicationMethod and preliminary results of multiple sound sources localization in free field using the acoustic vector sensor were presented in this study. Direction of arrival (DOA) for considered source was determined based on sound intensity method supported by Fourier analysis. Obtained spectrum components for considered signal allowed to determine the DOA value for the particular frequency independently. The accuracy of the developed...
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Specific Binding of Cholesterol to the Amyloid Precursor Protein: Structure of the Complex and Driving Forces Characterized in Molecular Detail
PublicationC99 is the C-terminal membrane-bound fragment of the amyloid precursor protein that is cleaved by γ-secretase to release Aβ peptides, the hallmark of Alzheimer’s disease (AD). Specific interactions of C99 with cholesterol have been proposed to underlie the recognized role of cholesterol in promoting amyloidogenesis. By using molecular dynamics simulations, we studied cholesterol binding to C99 in a lipid bilayer. We determined...
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An application for a new type of pneumatic engine concept
PublicationHeavy trucks are often equipped with loading and unloading systems like dock levellers with swing lip or telescopic lip. Most of these devices require hydro-electrical energy supply systems (eg. the pump that presses the working substance to the actuators must be propelled by electric engine.) The space taken by pump with electric engine can be reduced on condition that a new type of pneumatic drive will be considered. It is possible...
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Detection of the Plant Pathogen Pseudomonas Syringae pv. Lachrymans on Antibody-Modified Gold Electrodes by Electrochemical Impedance Spectroscopy
PublicationThe present work describes an impedimetric immunosensor for Pseudomonas syringae pv. lachrymans (Psl) detection. This pathogen infects many crop species causing considerable yield losses, thus fast and cheap detection method is in high demand. In the assay, the gold disc electrode was modified with 4-aminothiophenol (4-ATP), glutaraldehyde (GA), and anti-Psl antibodies, and free-sites were blocked with bovine serum albumin (BSA)....
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Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle
PublicationF1-ATPase is a motor protein that couples the rotation of its rotary γ subunit with ATP synthesis or hydrolysis. Single-molecule experiments indicate that nucleotide binding and release events occur almost simultaneously during the synthesis cycle, allowing the energy gain due to spontaneous binding of ADP to one catalytic β subunit to be directly harnessed for driving the release of ATP from another rather than being dissipated...
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OBSERVATION OF THE THERMOSIPHON EFFECT IN THE CIRCULATION OF ACETONE AS WORKING FLUID IN MODERN COOLING SYSTEM
Publicationplants or computer server rooms has led to the demand for new and reliable methods for electronic cooling. Because of bigger and bigger power levels and miniaturization of the electronic devices, lack of free space in such a high heat flux. The increasing integration of electronic logy that supposed to be designed for high thermal performance, low mass, and able to work in harsh environments. In this paper presented a prototype...
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HISTORIA ROZWOJU LAMP I OPRAW OŚWIETLENIOWYCH SŁUŻĄCYCH DO OŚWIETLANIA WNĘTRZ MIESZKALNYCH. CZĘŚĆ PIERWSZA
PublicationThis paper reflects on the history of decorative luminaire design. The development of the new sources of light within residential environment has been changing the luminaire design. Residential dwellings have been lit by a lot of light sources through the centuries form a point lamps like candle or incandescent lamps to linear florescent lamps and LED strips. A development of SSL technology introduced an idea of lit surfaces. Energy...
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Interaction of 4-nitrothiophenol with low energy electrons: Implications for plasmon mediated reactions
PublicationThe reduction of 4-nitrothiophenol (NTP) to 4-4′-dimercaptoazobenzene (DMAB) on laser illuminated noble metal nanoparticles is one of the most widely studied plasmon mediated reactions. The reaction is most likely triggered by a transfer of low energy electrons from the nanoparticle to the adsorbed molecules. Besides the formation of DMAB, dissociative side reactions of NTP have also been observed. Here, we present a crossed electron-molecular...
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Fault-tolerant performance of the novel five-phase doubly-fed induction generator
PublicationThe article presents the concept of a new design of a multi-phase doubly-fed induction generator (DFIG). The innovative design approach uses a five-phase power supply from the rotor side of the generator with a three-phase classic stator power supply. Modern three-phase doubly-fed induction generators are the dominant choice for Wind Energy Conversion Systems (WECS). Solutions of this type are sensitive to the loss of at least...
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Formation of CN (B2∑+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
PublicationFormation of the excited CN(B2∑+) free radicals in the photodissociation of pyridine (C5H5N) and pyrimidine (C4H4N2) molecules was investigated over the energy ranges 16–27 and 14.7–25 eV, respectively. Photon-induced fluorescence spectroscopy was applied to detect the vibrationally and rotationally excited CN radicals by recording the B2∑+→X2∑+ emission bands (violet system). The measured dissociation yield curves demonstrate...
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Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublicationFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...
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Efficacious Alkaline Copper Corrosion Inhibition by a Mixed Ligand Copper(II) Complex of 2,2′-Bipyridine and Glycine: Electrochemical and Theoretical Studies
PublicationA mixed ligand copper(II) complex, namely, [Cu(BPy)(Gly)Cl]⋅2H2O (CuC) (BPy=2,2′-bipyridine and Gly=glycine), was synthesized and characterized. The synthesized CuC complex was tested as inhibitor to effectively mitigate the corrosion of copper in alkaline solutions using the linear sweep voltammetry (LSV) and linear polarization resistance (LPR) techniques. For the sake of comparison, such two D.C. electrochemical techniques were...
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Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublicationElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
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Cross sections for electron collision with pyridine [C5H5N] molecule
PublicationThe absolute grand -total cross section (TCS) for electron scattering from pyridine, C5H5N, molecules has been measured at impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The obtained TCS energy dependence appears to be typical for targets of high electric-dipole moment; the cross section generally decreases with rising energy, except for the 3–20 eV range, where a broad enhancement peaked near...
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Non-linear circuit model of a single doubly-fed induction machine formulated in natural axes for drive systems simulation purposes
PublicationMathematical modelling and a circuit model formulated in natural axes of a single doubly-fed induction machine, with the account of magnetic circuit nonlinearity are presented in the paper. Derivation of the model differential equations was based on Lagrange's energy method. State functions of magnetic elements in the model are non-linear and depend on all currents flowing in the machine windings and on the angle of rotor position....
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Investigating Fuel Injection Strategies to Enhance Ship Energy Efficiency in Wave Conditions
PublicationThe prediction of fuel consumption and resulting transportation costs is a crucial stage in ship design, particularly for conditions involving motion in waves. This study investigates the real-time fuel consumption of a container ship when sailing in waves. The overall ship performance is evaluated using a novel non-linear coupled hull-engine-propeller interaction model. A series of towing tank experiments for hull resistance in...
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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublicationAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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On weak solutions of the boundary value problem within linear dilatational strain gradient elasticity for polyhedral Lipschitz domains
PublicationWe provide the proof of an existence and uniqueness theorem for weak solutions of the equilibrium problem in linear dilatational strain gradient elasticity for bodies occupying, in the reference configuration, Lipschitz domains with edges. The considered elastic model belongs to the class of so-called incomplete strain gradient continua whose potential energy density depends quadratically on linear strains and on the gradient of...
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Stability and phase transition investigation of olanzapine polymorphs
PublicationWe use electrical embedded-fragment QM method with both DFT/ωB97XD/6-31G* and MP2/6-31G* to investigate the phase transformations of olanzapine. Gibbs free energy calculations predict that form I is always the most stable structure and form II is the least stable one, while form IV is more stable than form III below about 200 K but less stable above this temperature, implying a polymorphic phase transformation. This may account...
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Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation
PublicationThe multi-mode vibronic interactions between the five lowest electronic states of the fluorobenzene radical cation are investigated theoretically, based on ab initio electronic structure data, and employing the linear vibronic coupling model. Low-energy conical intersections, and strong vibronic couplings are found to prevail within the set of X-A and B-C-D cationic states, while the interactions between these two sets of states...
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublicationWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
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Distortional buckling of composite thin-walled columns of a box-type cross section with diaphragms
PublicationDistortional buckling of axially compressed columns of box-like composite cross sections with andwithout internal diaphragms is investigated in the framework of one-dimensional theory. The channel membersare composed of unidirectional fibre-reinforced laminate. Two approaches to the member orthotropic materialare applied: homogenization based on the theory of mixture and periodicity cells, and homogenization basedon the Voigt–Reuss...
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Efficiency of acoustic heating in the Maxwell fluid
PublicationThe nonlinear effects of sound in a fluid describing by the Maxwell model of the viscous stress tensor is the subject of investigation. Among other, viscoelastic biological media belong to this non-newtonian type of fluids. Generation of heating of the medium caused by nonlinear transfer of acoustic energy, is discussed in details. The governing equation of acoustic heating is derived by means of the special linear combination...
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Notch fatigue analysis and life assessment using an energy field intensity approach in 7050-T6 aluminium alloy under bending-torsion loading
PublicationThis paper studies the fatigue crack initiation and fatigue crack propagation of notched cylindrical bars made of 7050-T6 aluminium alloy subjected to multiaxial bending-torsion loading. The sites of crack initiation and the angles of crack initiation were successfully predicted from the distribution of the first principal stress at the notch surface. Fatigue crack initiation lives were computed through the new concept of energy...
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Efficiency of acoustic heating in the Maxwell fluid
PublicationThe nonlinear effects of sound in a fluid describing by the Maxwell model of the viscous stress tensor is the subject of investigation. Among other, viscoelastic biological media belong to this non-newtonian type of fluids. Generation of heating of the medium caused by nonlinear transfer of acoustic energy, is discussed in details. The governing equation of acoustic heating is derived by means of the special linear combination...
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Managerial Energy in Sustainable Enterprises: Organizational Wisdom Approach
PublicationThe circular economy (CE) as an idea involves applying the concept of sustainable development that has been gaining worldwide support. This shift in perception of energy and resource-use from its linear to circular forms creates a specific business environment, which constitutes the subject of this research. This article aims to analyze the impact of a manager’s energy on organizational wisdom, focusing on its circular business...
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Molecular dynamics simulations reveal the balance of forces governing the formation of a guanine tetrad—a common structural unit of G-quadruplex DNA
PublicationG-quadruplexes (G4) are nucleic acid conformations of guanine-rich sequences, in which guanines are arranged in the square-planar G-tetrads, stacked on one another. G4 motifs form in vivo and are implicated in regulation of such processes as gene expression and chromosome maintenance. The structure and stability of various G4 topologies were determined experimentally; however, the driving forces for their formation are not fully...
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Decrease in Photovoltaic Module Efficiency Due to Deposition of Pollutants
PublicationThe deposition of pollutants on the surface of photovoltaic (PV) modules reduce the efficiency that can be achieved in given climatic conditions. This results in the loss of energy yield obtained from the solar installation. A number of factors determine the scale of this problem. The first of these is the amount of impurities deposited, the associated amount of precipitation, and the speed and direction of the wind. A second aspect...
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THE APPLICATION OF THE MECHANOCHEMICAL SYNTHESIS FOR THE PREPARATION OF ADVANCED CERAMICS BASED ON BARIUM TITANATE
PublicationIn the present study, the lead-free BaTi1-xZrxO3 (for x = 0, 0.05 and 0.15) ceramics were prepared by High-Energy Ball Milling and heat treatments. The performed X-ray, SEM and EDS measurements confirmed high purity, good quality and the expected quantitative composition of the obtained samples. The study of dielectric properties was performed by means of broadband dielectric spectroscopy at the frequency ranging from 0.1 Hz to...
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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublicationThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...
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3D Sound Intensity Measurement Around Organ Pipes Using Acoustic Vector Sensors
PublicationThe aim of the presented paper was to obtain and visualize sound intensity distribution of radiated acoustic energy around the organ pipes. The experimental setup consisted of the multichannel acoustic vector sensor and the specialized Cartesian robot. Measurements were performed in free field with spatial resolution of 0.1 [m]. Two organ pipes, i.e. wooden and metal were measured during the ex-periment. The organ pipes were activated...
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Programmed metalloporphyrins for self-assembly within light-harvesting stacks: 5,15-dicyano-10,20-bis(3,5-di-tert-butylphenyl)-porphyrinato zinc(II) and its push-pull 15-N,N-dialkylamino-5-cyano congeners obtained by a facile direct amination.
PublicationThe title dicyano compound was synthesized via cyanation and it self-assembles in nonpolar solvents giving red-shifted and broad absorption maxima just as the bacteriochlorophylls which are encountered in the light-harvesting organelles of early photosynthetic bacteria. In the crystal, stacks are formed through a hierarchic combination of π-stacking and a CNZn electrostatic interaction. Push−pull 15-N,N-dialkylamino-5-cyano congeners...
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Continuum orbitals in low energy scattering of electrons from Ar, Kr, Xe, Rn and Og atoms
Open Research DataThe dataset includes relativistic continuum electron wave functions (continuum orbitals, continuum spinors) for elastic scattering of electrons from Argon (Ar), Krypton (Kr), Xenon (Xe), Radon (Rn) and Oganesson (Og) atoms, calculated using the Multiconfiguration Dirac-Hartree-Fock method (MCDHF), at very low electron energies (0.0001 - 0.001 eV). Only...
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Electron Scattering from Methyl Formate (HCOOCH3): A Joint Theoretical and Experimental Study
PublicationElastic low-energy electron collisions with methyl formate have been studied theoretically at the level of various theories. The elastic integral cross section was calculated using Schwinger multichannel and R-matrix methods, in the static-exchange and static-exchange plus polarization levels of approximations for energies up to 15 eV. The absolute total cross section for electron scattering from methyl formate has been measured...
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Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublicationF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
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The Influence of Impact Velocity on Stresses and Failure of S355j2 Steel Under Slurry Erosion Conditions
PublicationThe purpose of this work was to determine the essence of the influence of the impact velocity (5, 7, and 9 m/s) on Hertzian stresses and the erosion mechanism of ferritic-pearlitic S355J2 steel. The investigations were carried out using a slurry pot tester. S355J2 steel showed a strong sensitivity to changes in impact velocity. A significant increase in erosion rate was observed at a velocity of 9 m/s. This increase was 5-fold...
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Physical Chemistry_GTM_20_21_winter
e-Learning CoursesThe aim of the subject is to familarize the student with fundamental physico-chemical laws in chemical thermodynamics, phase equilibria and chemical equilibria together with ability of solving relevant text problems involving calculations, as well as teachnig him/her effective and safe carrying out simple experiments/measurements of physico-chemical quantities and proper presentation and interpretation of their results. LECTURES Chemical...
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An overview of the strategies for the deammonification process start-up and recovery after accidental operational failures
PublicationThe deammonification process has been universally acknowledged as an energy-efficient technology for sewage disposal. In contrast with traditional biological nitrogen removal technology, the deammonification process is able to remove ammonia from wastewater with the simplest nitrogen removal process because of its advantages of lower operating expenses, no organic carbon consumption, lower biomass production, lower carbon dioxide...
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The voltage on bus bars of the main switchboard of the ro-ro ship electrical power system during maneuvering
Open Research DataThe dataset is part of the research results on the quality of supply voltage on bus bars of the main switchboard of the ship's electrical power system in different states of ship exploitation. The attached dataset contains the measurement results carried out onboard a ro-ro ship during maneuvering.
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Powering the Future by Iron Sulfide Type Material (FexSy) Based Electrochemical Materials for Water Splitting and Energy Storage Applications: A Review
PublicationWater electrolysis is among the recent alternatives for generating clean fuels (hydrogen). It is an efficient way to produce pure hydrogen at a rapid pace with no unwanted by-products. Effective and cheap water-splitting electrocatalysts with enhanced activity, specificity, and stability are currently widely studied. In this regard, noble metal-free transition metal-based catalysts are of high interest. Iron sulfide (FeS) is one...
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The use of LiFePO4 technology in autonomous PV systems
PublicationBattery manufacturing based on the flow of lithium ions is currently the fastest growing and the most promising technology. It is used in many applications - from the smallest electronic devices to the large-scale energy trays. However, in the PV systems lead-acid batteries are still the most commonly used. As they are much cheaper they also come with a number of significant disadvantages. It is anticipated that they will be replaced...
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A simplified channel estimation procedure for NB-IoT downlink
PublicationThis paper presents a low-complexity channel estimation procedure which is suitable for use in energy-efficient NB-IoT user equipment devices. The procedure is based on the well-established least squares scheme, followed by linear interpolation in the time domain and averaging in the frequency domain. The quality of channel estimation vs. signal-to-noise ratio is evaluated for two channel models and compared with the performance...
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Ellipticity in couple-stress elasticity
PublicationWe discuss ellipticity property within the linear couple-stress elasticity. In this theory, there exists a deformation energy density introduced as a function of strains and gradient of macrorotations, where the latter are expressed through displacements. So the couple-stress theory could be treated as a particular class of strain gradient elasticity. Within the micropolar elasticity, the model is called Cosserat pseudocontinuum...
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Source-related Wavefields in Fluids and Dielectrics: A new way of Thinking about Medium Dynamics
PublicationAcoustic and electromagnetic wave phenomena may seem to have a proper formal representation in field theory dating from the 19th century, founded on the mathematics of complex functions. This paper shows, however, that when replacing the classical spectrum-domain approach related to the assumption of harmonic timeform of signals, with a time-domain approach imposingnorestrictionastotheclassoftimeevolutionofsourceandfieldsignals,...
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Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Badanie dynamiki platform pływających morskich turbin wiatrowych z zastosowaniem metod numerycznej mechaniki płynów
PublicationPraca dotyczy badania ruchu platform pływających pod morskie turbiny wiatrowe. Przedstawiono w niej główne metody obliczeń i przedyskutowano ich zastosowanie. Na przykładzie koncepcji konstrukcji 3-kolumnowej platformy typu Spar przedstawiono metodykę wykonywania obliczeń z zastosowaniem programu AQWA opartego na metodzie dyfrakcyjnej, rozszerzonego o współczynniki wynikające z lepkości wyznaczone za pomocą obliczeń RANSE-CFD....
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Techno-economic evaluation of combined cycle gas turbine and a diabatic compressed air energy storage integration concept
PublicationMore and more operational flexibility is required from conventional power plants due to the increasing share of weather-dependent renewable energy sources (RES) generation in the power system. One way to increase power plant’s flexibility is integrating it with energy storage. The energy storage facility can be used to minimize ramping or shutdowns and therefore should lower overall generating costs and CO2 emissions. In this article,...
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The mechanical properties and bactericidal degradation effectiveness of tannic acid-based thin films for wound care
PublicationThe surface area is the most important aspect when considering the interactions between a material and the surrounding environment. Chitosan (CTS) and tannic acid (TA) were previously successfully tested by us to obtain thin films to serve as wound dressings or food packaging materials. However, surface properties as well as the antimicrobial activity of the material were not considered. They are important if the material is likely...
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Comparative study of a combined heat and power plant retrofitted by CO2 capture during the combustion of syngas from sewage sludge gasification versus zero-emission combustion of hydrogen produced using renewables
PublicationWith ecological requirements aimed at limiting the production of CO2, it is necessary to produce all, or most of the energy from RES. During the transformation process, ecological and highly efficient combustion power plants will be needed. The classic cycle of combined heat and power (CCGT) with green improvements will continue to be one of the most suitable technologies for this task. This article presents the modernization of...