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Search results for: diffusion coefficient
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MiMSeg - an algorithm for automated detection of tumor tissue on NMR apparent diffusion coefficient maps.
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Determination of the Diffusion Coefficient of Lithium Ions in Graphite Coated with Polymer-Derived SiCN Ceramic
PublicationPraca dotyczy wyznaczenia wsółczynnik adyfuzji jonów litu w materiale elektrodowym składającym się z grafitu pokrytego materiałem ceramicznym krzemo-azotkiem węgla (SiCN). Wartość współczynnika dyfuzji zmierzono elektrochemicznie technikami: woltamperometrii cyklicznej (CV), elektrochemicznej spektrodkopii impedancyjnej (EIS) oraz miareczkowania galwanostatycznego (GITT). Materiał otrzymano na drodze pirolizy mieszaniny grafit:polimer...
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Impact of diffusion coefficient averaging on solution accuracy of the 2D nonlinear diffusive wave equation for floodplain inundation
PublicationIn the study, the averaging technique of diffusion coefficients in the two-dimensional nonlinear diffusive wave equation applied to the floodplain inundation is presented. As a method of solution, the splitting technique and the modified finite element method with linear shape functions are used. On the stage of spatial integration, it is often assumed that diffusion coefficient is constant over element and equal to its average...
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Determination of Chemical Diffusion Coefficient of Lithium Ions in Ceramics Derived from Pyrolysed Poly(1,2-dimethylsilazane) and Starch
PublicationThe apparent chemical diffusion coefficient Li+ (DappLI+) in pyrolysed poly(1,2-dimethylsilazane)/starch (PSN/S) (weight ratio: 30/70) ceramic anode composite is determined by galvanostatic intermittent titration technique (GITT). The electrode material composition is C6.00N0.14H0.47O0.12Si0.13. The calculated values of DappLI+, depend on the applied potential, vary from 10-14 to 10-9 [cm2/s]. The diffusion coefficient of lithium...
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Determination of Sodium Ion Diffusion Coefficient in Tin Sulfide@Carbon Anode Material Using GITT and EIS Techniques
PublicationThe electroanalytical behavior of SnSx (x = 1, 2) encapsulated into a carbon phase was studied using the galvanostatic intermittent titration technique (GITT) and electrochemical impedance spectroscopy (EIS). These techniques are widely utilized in battery systems to investigate the diffusion of alkali metal cations in anode and cathode materials depending on the concentration of ions in the host material. Here, we report different...
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Cation diffusion coefficients in CuAgI via molecular dynamics simulations
PublicationPraca prezentuje wyniki analizy strukturalnej otrzymane poprzez symulacje dynamiczno-molekularne (zespół NpT, dwuciałowy potencjał Vashisty-Rahmana) superjonowego związku o składzie (1-x)Cu-xAg-I, x = 0.0, 0.25, 0.5, 0.75, 1.0). Wyznaczono wartość współczynnika dyfuzji kationów i energii aktywacji w funkcji składu szkła i temperatury. Otrzymane rezultaty porównano z danymi literaturowymi.
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Electron scattering on N2O - from cross section to diffusion coefficients.
PublicationW pracy przedstawiono wyniki pomiarów współczynników transportu: stosunek współczynnika dyfuzji w kierunku prostopadłym do pola elektrycznego do ruchliwości, stosunek współczynnika dyfuzji podłużnej do ruchliwości oraz prędkość dryfu elektronów w funkcji zredukowanego pola elektrycznego. Współczynniki zmierzono metodą Townsenda-Huxley´a a prędkość dryfu otrzymano wykorzystując metodę Bradbury - Nielsena. Zmierzone współczynniki...
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Measuring Diffusion Coefficients of Nitroxide Radicals in Heterophasic Propylene−Ethylene Copolymers by Electron Spin Resonance Imaging
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Lateral diffusion coefficients in membranes measured by resonance energy transfer and a new algorithm for diffusion in two dimentions
PublicationOpisano wyniki pomiarów współczynników dyfuzji w membranach przy wykorzystaniu rezonansowego przekazywania energii wzbudzania. Donorem był kompleks metaloorganiczny renu o czasie życia ok. 3ćs, co pozwalało na pomiary współczynników dyfuzji mniejszych od 10 cm2/s. Zmierzono współczynniki dyfuzji w membranach typu DMPG i DOPC w różnych temperaturach.
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Wyznaczanie współczynników dyfuzji tlenku węgla (IV) przez membrany wysycone cieczą jonową = Determination of carbon dioxide diffusion coefficients in supported ionic liquids membranes
PublicationWykazano możliwość zastosowania imidazoliowych cieczy jonowych osadzonych na nośnikach polimerowych SILM (supported ionic liquids membranes) do absorpcji CO2. W badaniach wykorzystano sole imidazoliowe posiadające w strukturze aniony fluoroalkilowe typu [Tf2N] i [TfO], które selektywnie separują tlenek węgla (IV). Wyznaczono współczynniki dyfuzji CO2 przez poszczególne SILM na podstawie ilości dyfundującego CO2 przez powierzchnię...
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Asymptotic Expansion Method with Respect to Small Parameter for Ternary Diffusion Models
PublicationTernary diffusion models lead to strongly coupled systems of PDEs. We choose the smallest diffusion coefficient as a small parameter in a power series expansion whose components fulfill relatively simple equations. Although this series is divergent, one can use its finite sums to derive feasible numerical approximations, e.g. finite difference methods (FDMs).
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Maximum transportation growth in energy and solute particles in Prandtl martial across a vertical 3D-heated surface: Simulations achieved using by finite element approach
PublicationThe goal of this study is to determine the maximum energy and solute particles' transportation growth in a 3D-heated region of Prandtl martial through a dynamic magnetic field. The effects of this field on the properties of solvent molecules and heat conduction are studied. A correctly stated functional method and a finite element approach are comparable to a certain type of differential equations. In order demonstrate the effects...
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Reinforcement Learning Algorithm and FDTD-based Simulation Applied to Schroeder Diffuser Design Optimization
PublicationThe aim of this paper is to propose a novel approach to the algorithmic design of Schroeder acoustic diffusers employing a deep learning optimization algorithm and a fitness function based on a computer simulation of the propagation of acoustic waves. The deep learning method employed for the research is a deep policy gradient algorithm. It is used as a tool for carrying out a sequential optimization process the goal of which is...
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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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Usefulness of the voltamperometric method for assessment of the purity of soil
PublicationThis paper presents a voltammetric analysis of soil. It shows that the voltammetry is a useful method for the assessment of soil contaminated with heavy metal ions. There are two major problems with voltammetry analysis: the diffusion coefficient and the measurement system. The paper contains a short literature study of mathematical equations and a study of differences between soil and water measurements. Suggestions of the solution...
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Experimental Study of Polish Sausage Drying Kinetics and Contraction by Image Data Analysis
PublicationThe goal of this paper has been to add an experimental data set for drying a meat product and provide a comparison with well-established thin-layer drying models. This article presented experimental investigations on the convective drying of Polish sausage slices at a temperature of 40°C. Slices have been in the thickness of 3 to 8mm. Measurements of mass loss and size change were performed. The data have been presented in the...
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Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighbouring space around these molecules were investigated. It was found, that water forms a well-defined layer - the first solvation shell - around the peptide molecule, and thickness of this layer is independent of the peptide structure, and it equals to approximately 0.28 nm....
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Charge Transport in High-Entropy Oxides
PublicationThis work presents the results of research on the transport properties of the high-entropy BaZr1/8Hf1/8Sn1/8Ti1/8Y1/8In1/8Sm1/8Yb1/8O3–x perovskite oxide with special focus on proton transport. The presented study is part of broader work in which we focus on multiple different chemical compositions with the cation number varying from 5 up to 12 (in B-sublattice). The presence of proton defects is analyzed with thermogravimetry,...
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Poly(hydroxybutyrate-co-hydroxyvalerate) as a biodegradable binder in a negative electrode material for lithium-ion batteries
PublicationIn this work, graphite-based negative electrode for lithium-ion battery consisting a novel and biodegradable binder poly(hydroxybutyrate-co-hydroxyvalerate) (PHBV) is compared with standard graphite electrode with polyvinylidene fluoride (PVDF) as a binder. The rate and cycling performance of lithium ion insertion/extraction of electrodes with PHBV in a half-cell configuration are evaluated. Moreover, on the basis of the electrochemical...
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Structural and Dynamic Properties of Water within the Solvation Layer around Various Conformations of the Glycine-based Polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighboring space around these molecules were investigated. It was found that water forms a well-defined layer—the first solvation shell—around the peptide molecule, and thickness of this layer is independent of the peptide structure and is equal to approximately 0.28 nm. Within...
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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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The importance of the shape of the protein-water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationSingle kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in solvation shell change along with the nature of neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water is not very different from bulk water. The local values of...
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The importance of the shape of the protein–water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationA single kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in the solvation shell change along with the nature of the neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water are not very different from bulk water. The local...
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Influence of iron content on water uptake and charge transport in BaCe0.6Zr0.2Y0.2−xFexO3−δ triple-conducting oxides
PublicationIn this work, we studied the BaCe0.6Zr0.2Y0.2−xFexO3−δ system which belongs to the triple-conducting oxides (TCOs) group. The electrochemical properties of BaCe0.6Zr0.2Y0.2−xFexO3−δ were investigated using electrochemical impedance spectroscopy (EIS) and the water uptake was analyzed using thermogravimetry (TG). All investigated materials exhibited water uptake, with proton concentration increasing with decreasing iron content....
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Designing acoustic scattering elements using machine learning methods
PublicationIn the process of the design and correction of room acoustic properties, it is often necessary to select the appropriate type of acoustic treatment devices and make decisions regarding their size, geometry, and location of the devices inside the room under the treatment process. The goal of this doctoral dissertation is to develop and validate a mathematical model that allows predicting the effects of the application of the scattering...
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CGO FILMS ON YSZ ELECTROLYTE FABRICATED BY SPRAY PYROLYSIS FOR SOFC
PublicationINTRODUCTION Solid oxide fuel cells are one of the fastest developing energy converters. The advancement introduced by research community provides steady state progress is stability and performance of the fuel cells. Significant influence on the cell’s performance and stability is related to cell design. The simplest design just consists of an anode, a solid electrolyte and a cathode. However, in order to improve the properties,...
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Short-range order structure and free volume distribution in liquid bismuth: X-ray diffraction and computer simulations studies
PublicationThe structure of liquid bismuth was studied by X-ray diffraction and computer simulation methods. The contraction of the atomic structure within the first coordination sphere in the temperature interval of 575- 1225 K is reported. The temperature dependencies of the coordination numbers and of the free volume are analysed. On the basis of the temperature dependencies of the free volume, the temperature dependencies of viscosity...
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Impact of Boundary Conditions on Acoustic Excitation of EntropyPerturbations in a Bounded Volume of Newtonian Gas
PublicationExcitation of the entropy mode in the field of intense sound, that is, acoustic heating, is theoreticallyconsidered in this work. The dynamic equation for an excess density which specifies the entropy mode,has been obtained by means of the method of projections. It takes the form of the diffusion equation withan acoustic driving force which is quadratically nonlinear in the leading order. The diffusion coefficient isproportional...
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Fluctuation-Enhanced Sensing for Biological Agent Detection and Identification
PublicationPrzedstawiono wcześniejsze wyniki badań dotyczące trzech różnych sposobów wykrywania obecności substancji biologicznych za pomocą zjawisk fluktuacyjnych: 1) wirusów wnikających do komórek, 2) zapachów emitowanych przez mikroby, 3) rozkładu widma i wartości chwilowych szumów podczas rozpraszania światła używanego do wykrywania zarodników na podstawie wyznaczenia współczynnika dyfuzji opisująceo ich ruch.We survey and show our earlier...
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Transport properties of microemulsions with ionic liquid apolar domains as a function of ionic liquid content
PublicationThe specific conductivity, dynamic viscosity and apparent diffusion coefficient of each of four aqueous ionic liquid microemulsions (IL-MEs) were measured as a function of ionic liquid (IL) content. The investigated systems were composed of water, hydrophobic ILs (1-butyl-3-methylimidazolium hexafluorophosphate or bis(trifluoromethanesulphonyl)imide) and the nonionic surfactant Triton X-100 or its mixture with cosurfactant (butanol)....
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Spetiation of organic matter in Vertical Flow Constructed Wetlands
PublicationThe object of the research were VFCWs which are a component of biological treatment of two hybrid hydrophyte systems located in Wieszyno and Wiklino, close to Słupsk, Poland. The facilities that are subject to analyses are unified in terms of structure (filtration material, depth of the bed and time of operation), but they differ in organic matter load, amounting respectively to: 8.0 gCOD/m2day and 31.0 gCOD/m2day.The intensity...
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Use of pyridinium and pyrrolidinium ionic liquids for removal of toluene from gas streams
PublicationSeparation of toluene from a toluene/N2 gas mixture using supported liquid membranes based on a series of pyridinium (1-butylpyridinium- bis(trifluoromethylsulfonyl)imide - [C4Py][Tf2N], 1-hexylpyridinium trifluoromethanesulfone [C6Py][Tf2N]) and pyrrolidinium (1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide - [C4Pyrr][Tf2N], 1-hexyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide - [C6Pyrr][Tf2N], 1-butyl-1-methylpyrrolidinium...
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Generalized Einstein relation in disordered organic semiconductors: Influence of the acoustic phonons–charge carriers scattering
PublicationIn this work, we analyze the generalized Einstein relation for disordered organic semiconductors with a non-equilibrium Druyvesteyn-type distribution function. The Druyvesteyn behavior of hot electrons in a solid state is associated with the acoustic phonons–charge carriers scattering. Such a case has been experimentally demonstrated in electroluminescent inorganic rare–earth–doped zinc chalcogenides. Therefore, we can assume that,...
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Molecular hydrogen solvated in water – A computational study
PublicationThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Structure and properties of liquid Al–Cu alloys: Empirical potentials compared
PublicationWe report on the structure and mass transport properties of liquid Al–Cu alloys predicted by two recently-developed empirical many-body potentials: MEAM (Jelinek et al., 2012) and EAM-ADP (Apostol and Mishin, 2011), and by the well-known Gupta potential. Total and partial pair correlation functions, angular distribution functions, densities, coordination numbers and self-diffusion coefficients are compared with published experimental...
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Numerical simulation of cold flow and combustion in a swirl stabilized combustor
PublicationA numerical simulation model was developed to investigate the cold flow and combustion using Ansys FLUENT 2021R1. The governing equations were solved using the pressure-based method, and pressure–velocity coupling was performed using the SIMPLE method. To model the turbulent process, the RSM model was used. Non-premixed model is chosen to solve the chemical kinetics between fuel and oxigen. Radiation heat transfer was calculated...
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TiO2 and Reducing Gas: Intricate Relationships to Direct Reduction of Iron Oxide Pellets
PublicationIn response to the imperative for sustainable iron production with reduced CO2 emissions, this study delves into the intricate role of TiO2 in the direct reduction of iron oxide pellets. The TiO2-dependent reducibility of iron oxide pellets utilizing H2 and CO gas across varied temperatures and gas compositions is thoroughly investigated. Our findings unveil the nuanced nature of the TiO2 effect, underscored by its concentration-dependent...
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A facile strategy for reclaiming discarded graphite and harnessing the rate capabilities of graphite anodes
PublicationGraphite negative electrodes are unbeaten hitherto in lithium-ion batteries (LiBs) due to their unique chemical and physical properties. Thus, the increasing scarcity of graphite resources makes smart recycling or repurposing of discarded graphite particularly imperative. However, the current recycling techniques still need to be improved upon with urgency. Herein a facile and efficient hydrometallurgical process is reported to...
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Elucidating charge transfer process and enhancing electrochemical performance of laser-induced graphene via surface engineering with sustainable hydrogel membranes: An electrochemist's perspective
PublicationLaser-induced graphene (LIG) has emerged as a promising solvent-free strategy for producing highly porous, 3D graphene structures, particularly for electrochemical applications. However, the unique character of LIG and hydrogel membrane (HM) coated LIG requires accounting for the specific conditions of its charge transfer process. This study investigates electron transfer kinetics and the electroactive surface area of LIG electrodes,...
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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...