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Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air
PublikacjaPartition coefficients define how a solute is distributed between two immiscible phases at equilibrium. The experimental estimation of partition coefficients in a complex system can be an expensive, difficult, and time-consuming process. Here a computational strategy to predict the distributions of a set of solutes in two relevant phase equilibria is presented. The octanol/water and octanol/air partition coefficients are predicted...
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Predicting Performance of Lightweight Concrete with Granulated Expanded Glass and Ash Aggregate by Means of Using Artificial Neural Networks
PublikacjaLightweight concrete (LWC) is a group of cement composites of the defined physical, mechanical, and chemical performance. The methods of designing the composition of LWC with the assumed density and compressive strength are used most commonly. The purpose of using LWC is the reduction of the structure’s weight, as well as the reduction of thermal conductivity index. The highest possible strength, durability and low thermal conductivity...
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Properties of Old Concrete Built in the Former Leipziger Palace
PublikacjaThis research aims to determine the mechanical, chemical, and physical properties of old concrete used in the former Leipziger Palace in Wrocław, Poland. The cylindrical specimens were taken from the basement concrete walls using a concrete core borehole diamond drill machine. The determination of the durability and strength of old concrete was based on specified chosen properties of the old concrete obtained through the following...
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Deep Eutectic Solvents or Eutectic Mixtures? Characterization of Tetrabutylammonium Bromide and Nonanoic Acid Mixtures
PublikacjaDeep eutectic solvents have quickly attracted the attention of researchers because they better meet the requirements of green chemistry and thus have the potential to replace conventional hazardous organic solvents in some areas. To better understand the nature of these mixtures, as well as expand the possibilities of their use in different industries, a detailed examination of their physical properties, such as density, viscosity,...
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Theoretical designing of selenium heterocyclic non-fullerene acceptors with enhanced power conversion efficiency for organic solar cells: a DFT/TD-DFT-based prediction and understanding
PublikacjaIn this study, we have designed and explored a new series of non-fullerene acceptors for possible applications in organic solar cells. We have designed four molecules named as APH1 to APH4 after end-capped modification of recently synthesized Y6-Se-4Cl molecule. Density functional theory and time dependent-density functional theory have been employed for computing geometric and photovoltaic parameters of the designed molecules....
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Losses and power balance in hydraulic satellite motor supplied with oil and HFA-E emulsion
PublikacjaMineral oil and HFA-E emulsion are liquids which differ in viscosity, density and lubricant properties. Therefore, supplying hydraulic satellite motor with these liquids, differences between quantity of hydraulic, volumetric and mechanical losses are observed. These losses influence efficiency of conversion of hydraulic energy into mechanical energy and thereby power balance of motor. The research of satellite motor has been conducted...
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DFT studies of the refractive index of boron-doped diamond
PublikacjaThe density functional theory is one of the optimal solutions in calculation of optical properties of materials on the quantum scale. In this paper, we have investigated the refractive index of a boron-doped diamond structure with the usage of Atomistic Toolkit software from Synopsys. During this study, various methods and pseudopotentials were checked to obtain an optimal performanceaccuracy method for calculation of such materials....
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On Surface Kinetic Constitutive Relations
PublikacjaIn the framework of the strain gradient surface elasticity we discuss a consistent form of surface kinetic energy. This kinetic constitutive equation completes the statement of initial–boundary value problems. The proposed surface kinetic energy density is the most general function consistent with the constitutive relations in bulk. As the surface strain energy depends on the surface deformation gradient and its gradient, the kinetic...
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Preparation and characterization of genipin cross-linked porous chitosan–collagen–gelatin scaffolds using chitosan–CO2 solution
PublikacjaNovel porous scaffolds composed of chitosan, collagen and gelatin were prepared by the multistep procedure involving final freeze-drying and characterized. To eliminate the need for residual acid removal from the material after drying, carbon dioxide saturation process was used for chitosan blend formulation. The use of CO2 for chitosan dissolution made the scaffold preparation process more reproducible and economically sustainable....
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Rigid polyurethane foams with different flame retardants and their physical and mechanical properties
PublikacjaRigid polyurethane foams (PUFs) containing 3, 6 or 9 % of one of of two selected fire retardants (FR): oligomeric ethyl ethylene phosphate (Fyrol PNX) and expandable graphite (EG) were prepared, inspected and compared to foam without that fillers as the control. The thermal stability of PUFs was described by horizontal test according to norm: UL 94 HB. Compressive strength and physical properties (density, fragility and water absorption)...
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Numerical modeling of the combustion in a lab-scale pulverized-coal fired combustion chamber
PublikacjaThis work presents results of numerical modeling of the combustion process inside a lab-scale drop-tube chamber, designed to investigate the slagging properties of the flue ashes, created through the solid fuel firing. Interaction between turbulence and chemistry is accounted by use of probability density function (PDF). FLUENT inputs for non-premixed combustion chemistry modeling are defined. A discrete second phase of the coal...
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Theory of valence-band and core-level photoemission from plutonium dioxide
PublikacjaThe correlated-band theory implemented as a combination of the local-density approximation with the dynamical mean-field theory is applied to PuO2. An insulating electronic structure, consistent with the experimental valence-band photoemission spectra, is obtained. The calculations yield a nonmagnetic ground state that is characterized by a noninteger filling of the plutonium 5f shell. The noninteger filling as well as the satellites...
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KOLMOGOROV EQUATION SOLUTION: MULTIPLE SCATTERING EXPANSION AND PHOTON STATISTICS EVOLUTION MODELING
PublikacjaWe consider a formulation of the Cauchy problem for the Kolmogorov equation which corresponds to a localized source of particles to be scattered by a medium with a given scattering amplitude density. The multiple scattering amplitudes are introduced and the corresponding series solution of the equation is constructed. We investigate the integral representation for the first series terms, its estimations and values of the photon...
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Absence of superconductivity in fluorine-doped neptunium pnictide NpFeAsO
PublikacjaX-ray diffraction, specific heat, magnetic susceptibility and inelastic x-ray scattering measurements on the transurarium oxypnictides NpFeAsO and NpFeAsO0.85F0.15 are presented. No superconductivity down to 2 K was observed upon fluorine doping, contrary to the structurally analogous rare-earth pnictides. No modification of the phonon density of states was observed upon doping with fluorine. We discuss our results in light of...
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Numerical modeling of the combustion in a lab-scale pulverized-coal fired combustion chamber
PublikacjaThis work presents results of numerical modeling of the combustion process inside a lab-scale drop-tube chamber, designed to investigate the slagging properties of the flue ashes, created through the solid fuel firing. Interaction between turbulence and chemistry is accounted by use of probability density function (PDF). FLUENT inputs for non-premixed combustion chemistry modeling are defined. A discrete second phase of the coal...
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Electromodulation and magnetomodulation of exciton dissociation in electron donor (starburst amine) : electron acceptor (bathocuproine) system
PublikacjaElectric field dependencies of electromodulated photoluminescence and photocurrents as well as the magnetic field effects on photocurrents, photovoltaic characteristics, electromodulated photoluminescence and photoluminescence have been investigated in vacuum evaporated films of m-MTDATA:BCP (4,4',4''-tris(N-(3-methylphenyl)-N-phenylamino)triphenylamine and bathocuproine) system. The electromodulation processes do remain in accordance...
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Mechatronics design, modelling and controlling of the Stewart-Gough platform
PublikacjaThis paper presents a mechatronics design of a low cost Stewart-Gough platform (SGP) with rotary actuators. The designed SGP is supposed to be applied in a ball & plate control system. The synthesis of the ball & plate control system is also within the subject of the paper. A mechatronics design process of the SGP was conducted with computer-aided design (CAD) software. Unique analytical solutions of an inverse kinematics problem...
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Lighting requirements for pedestrian crossings - positive contrast
PublikacjaFor many years now in Poland there has been a large number of road accidents at pedestrian crossings during night periods [5, 11]. One of the technical solutions that can improve this condition is the use of proper lighting for pedestrian crossings. The designated pedestrian crossing should be visible in different weather conditions and at different times of the day. In case of night vision restrictions use artificial lighting...
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Injury Prediction Models for Onshore Road Network Development
PublikacjaIntegrating different modes of transport (road, rail, air and water) is important for port cities. To accommodate this need, new transport hubs must be built such as airports or sea ports. If ports are to grow, they must be accessible, a feature which is best achieved by building new roads, including fast roads. Poland must develop a network of fast roads that will provide good access to ports. What is equally important is to upgrade...
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A device for measuring heat flux on a rocket skin surface
PublikacjaA novel method for measuring heat flux on a surface is presented. It is an extensive upgrade of currently known heat flux sensors used mostly in civil engineering. As the thermal environment of launchers, especially sounding rocket can have an enormous negative effect on payload, careful considerations have to be taken in the process of preparing insulation. Usually, thermal data provided by the launch vehicle manufacturer is limited...
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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublikacjaIn 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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An attempt to mechanistically explain the viscoelastic behavior of transparent epoxy/starch-modified ZnO nanocomposite coatings
PublikacjaThe effects of bare and starch-modified ZnO (ZnO-St) nanoparticles on viscoelastic and mechanical properties are studied by dynamic mechanical and tensile analyses. Transparent epoxy-based nanocomposite films are prepared by incorporating bare or starch-modified ZnO particles into the epoxy matrix. The results demonstrated that ZnO particles hindered the curing reactions and hence the final properties of the cured epoxy. As a result,...
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Modeling of free vibrations and resonant frequencies of simply-supported submerged horizontal plate
PublikacjaA theoretical approach was applied to study the vibration of simple-supported submerged horizontal plate. The derived analytical solution was used to determine natural frequencies for a horizontal plate vibrating in fluid. The investigations were conducted for a very wide range of material density and elasticity modulus covering all materials used in engineering practice. Analysis shows that plate vibration frequency decreases...
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Structure and properties of liquid Al–Cu alloys: Empirical potentials compared
PublikacjaWe 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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Chemical, Physical, and Mechanical Properties of 95-Year-Old Concrete Built-In Arch Bridge
PublikacjaThis research aimed to determine the durability and strength of an old concrete built-in arch bridge based on selected mechanical, physical, and chemical properties of the concrete. The bridge was erected in 1925 and is located in Jagodnik (northern Poland). Cylindrical specimens were taken from the side ribs connected to the top plate using a concrete core borehole diamond drill machine. The properties of the old concrete were...
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Obtaining and Characterization of the PLA/Chitosan Foams with Antimicrobial Properties Achieved by the Emulsification Combined with the Dissolution of Chitosan by CO2 Saturation
PublikacjaA new method of obtaining functional foam material has been proposed. The materials were created by mixing the poly lactic acid (PLA) solution in chloroform, chitosan (CS) dissolved in water saturated with CO2 and polyethylene glycol (PEG), and freeze-dried for removal of the solvents. The composite foams were characterized for their structural (SEM, FT-IR, density, porosity), thermal (DSC), functional (hardness, elasticity, swelling...
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Obtaining and Characterization of the PLA/Chitosan Foams with Antimicrobial Properties Achieved by the Emulsification Combined with the Dissolution of Chitosan by CO2 Saturation
PublikacjaA new method of obtaining functional foam material has been proposed. The materials were created by mixing the poly lactic acid (PLA) solution in chloroform, chitosan (CS) dissolved in water saturated with CO2 and polyethylene glycol (PEG), and freeze-dried for removal of the solvents. The composite foams were characterized for their structural (SEM, FT-IR, density, porosity), thermal (DSC), functional (hardness, elasticity, swelling...
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Effects of CO2 and Nd:YAG Laser Remelting of the Ti6Al4V Alloy on the Surface Quality and Residual Stresses
PublikacjaThe titanium alloys are materials susceptible to tribological wear and the laser treatment can be applied in surface treatment processes to obtain for example higher hardness level. From the other side, it is important to take into consideration, that hardness increase that can be connected with cracks . The aim of this research was to investigate the effects of different lasers and the process parameters on the form and level...
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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublikacjaIn 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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Assessment of Fuel Cells’ State of Health by Low-Frequency Noise Measurements
PublikacjaWe proposed applying low-frequency (flicker) noise in proton-exchange membrane fuel cells under selected loads to assess their state of health. The measurement set-up comprised a precise data acquisition board and was able to record the DC voltage and its random component at the output. The set-up estimated the voltage noise power spectral density at frequencies up to a few hundred mHz. We observed the evolution of the electrical...
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Application of Artificial Neural Networks to Predict Insulation Properties of Lightweight Concrete
PublikacjaPredicting the properties of concrete before its design and application process allows for refining and optimizing its composition. However, the properties of lightweight concrete are much harder to predict than those of normal weight concrete, especially if the forecast concerns the insulating properties of concrete with artificial lightweight aggregate (LWA). It is possible to use porous aggregates and precisely modify the composition...
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Improvement of microstructure and mechanical properties of high dense sic ceramics manufactured by high-speed hot pressing
PublikacjaNon-oxide ceramics possess high physical-mechanical properties, corrosion and radiation resistance, which can be used as a protective materials for radioactive wastes disposal. The aim of the present study was the manufacturing of high density SiC ceramics with advanced physical and mechanical parameters. The high performance on the properties of produced ceramics was determined by the dense and monolithic structure. The densified...
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Celebrating 50 years of SWIMs (Salt Water Intrusion Meetings)
PublikacjaThe Salt Water Intrusion Meetings, or SWIMs, are a series of meetings that focus on seawater intrusion in coastal aquifers and other salinisation processes. 2018 marks the 50th year of the SWIM and the 25th biennial meeting. The SWIM proceedings record half a century of research progress on site characterisation, geophysical and geochemical techniques, variable-density flow, modelling, and water management. The SWIM is positioning...
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On refined constitutive equations in the six-field theory of elastic shells
PublikacjaWithin the resultant six-field shell theory, the second approximation to the complementary energy density of an isotropic elastic shell undergoing small strains is constructed. In this case, the resultant drilling couples are expressed explicitly by the stress resultants and stress couples as well as by amplitudes of the quadratic and cubic distributions of an intrinsic deviation vector. The refined 2D strain-stress and stress-strain...
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Thermodynamic Properties of Inorganic Salts in Nonaqueous Solvents. VI. Apparent Molar Volumes, Expansibilities, and Compressibilities of Divalent Transition Metal Ions in Methanol and Dimethylsulfoxide
PublikacjaThe temperature dependence of the density of divalent transition metal perchlorates in dimethylsulfoxide as well as cobalt(II), nickel(II) perchlorates, and copper(II) trifluoromethanesulfonate in methanol was determined. Moreover, sound velocities for solutions of cobalt(II), nickel(II) perchlorates, and copper(II) trifluoromethanesulfonate in methanol have been measured at 298.15 K. From these data, the partial molar volumes,...
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Assessment of protective properties of rubber lining in absorbers of flue gas desulphurization systems.
PublikacjaResults of research on degradation of rubber lining which is the main protection of absorbers in flue gas desulphurization (FGD) systems were presented. The power plant where the system operated is lignite-fired. Owing to measurements using electrochemical impedance spectroscopy and gravimetric determination of water content in the lining, the areas of the system which are most exposed to degradation were shown. The results obtained...
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Synthesis and Testing of BCZY/LNZ Mixed Proton–electron Conducting Composites for Fuel Cell Applications
PublikacjaA composite of BaCe0.6Zr0.2Y0.2O3–δ and Li2O:NiO:ZnO was investigated for fuel cell applications. The composite was successfully synthesized and its phase stability was confirmed at temperatures up to 900 °C. The influence of sintering and pressing aids on density was also investigated. Electrical properties were measured. DC electrical conductivity was about 8•10-4 S/m at 845 K. Open circuit voltage measurements in wet hydrogen...
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Magnetic field gradient as the most useful signal for detection of flaws using MFL technique
PublikacjaThe magnetic flux leakage (MFL) technique is extensively used for detection of flaws as well as for evaluation of their dimensions in ferromagnetic materials. However, proper analysis of the MFL signal is hindered by the MFL sensor velocity causing distortions of this signal. Traditionally measured components of the MFL signal are particularly sensitive to the scanning velocity. In this paper, an another signal – the gradient of...
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Solid Oxide Fuel Cells with Ni infiltrated perovskite anode
PublikacjaNiobium-doped strontium titanate was used as the anode for a solid oxide fuel cell. Electrolyte-supported cells were prepared with pure perovskite and composite perovskite–yttria–stabilized-zirconia (YSZ) anodes. Fuel cell tests demonstrated significant improvement in power density after infiltration with a small amount of Ni. The obtained values of power densities are comparable with conventional Ni/YSZ cermet anode. In addition,...
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Correlated Particle Motion and THz Spectral Response of Supercritical Water
PublikacjaMolecular dynamics simulations of supercritical water reveal distinctly different distance-dependent modulations of dipolar response and correlations in particle motion compared to ambient conditions. The strongly perturbed H-bond network of water at supercritical conditions allows for considerable translationaland rotational freedom of individual molecules. These changes give rise to substantially different infrared spectra and...
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Ellipticity of gradient poroelasticity
PublikacjaWe discuss the ellipticity properties of an enhanced model of poroelastic continua called dilatational strain gradient elasticity. Within the theory there exists a deformation energy density given as a function of strains and gradient of dilatation. We show that the equilibrium equations are elliptic in the sense of Douglis–Nirenberg. These conditions are more general than the ordinary and strong ellipticity but keep almost all...
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The Dominant Influence of Plastic Deformation Induced Residual Stress on the Barkhausen Effect Signal in Martensitic Steels
PublikacjaThe paper presents the results of investigation of the influence of plastic deformation on the magnetic properties of martensitic steel (P91 grade). The properties of the hysteresis loops as well as of the Barkhausen effect (BE) signal are analysed for both tensile and compressive loading up to ε = 10% of plastic deformation. The choice of the steel and of the deformation range is unique, since for such combination one can expect...
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An Experimental and Numerical Analysis of Water Hammer Phenomenon in Slurries
PublikacjaThe analysis of slurry transportation in pressure pipelines is important both from practical and theoretical point of view. Due to the nature of the medium, the number of problems arising in the course of design, operation, measurements and mathematical modeling is much higher compared to the cases where the flowing liquid is homogeneous. The equations describing the flow are more complex, and higher number of the parameters is...
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Spectroscopic study of atmospheric pressure 915 MHz microwave plasma at high argon flow rate
PublikacjaIn this paper results of optical emission spectroscopic (OES) study of atmospheric pressure microwave 915 MHz argon plasma are presented. The plasma was generated in microwave plasma source (MPS) cavity- resonant type. The aim of research was determination of electron excitation temperature Texc gas temperature Tg and electron number density ne. All experimental tests were performed with a gas flow rate of 100 and 200 l/min and...
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Fluoroaromatic substituents attached to carbon nanotubes help to increase oxygen concentration on biocathode in biosensors and biofuel cells
PublikacjaBased on the known ability of perfluorodecalin/perfluorohydrocarbons to enhance oxygen solubility we modified oxygen sensitive biocathode by adding perfluorinated components to the catholite. This procedure improved the efficiency of the oxygen sensitive cathodes. Glassy carbon electrodes covered with single-wall carbon nanotubes (SWCNTs) with covalently bonded perfluoroaromatic groups were shown to be more sensitive to oxygen,...
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Seagrass vegetation and meiofauna enhance the bacterial abundance in the Baltic Sea sediments (Puck Bay)
PublikacjaThis study presents the first report on bacterial communities in the sediments of eelgrass (Zostera marina) meadows in the shallow southern Baltic Sea (Puck Bay). Total bacterial cell numbers (TBNs) and bacteria biomass (BBM) assessed with the use of epifluorescence microscope and Norland’s formula were compared between bare and vegetated sediments at two localities and in two sampling summer months. Significantly higher TBNs and...
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Optical and electrical properties of boron doped diamond thin conductive films deposited on fused silica glass substrates
PublikacjaThis paper presents boron-doped diamond (BDD) film as a conductive coating for optical and electronic purposes. Seeding and growth processes of thin diamond films on fused silica have been investigated. Growth processes of thin diamond films on fused silica were investigated at various boron doping level and methane admixture. Two step pre-treatment procedure of fused silica substrate was applied to achieve high seeding density....
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The Impact of Ground Tire Rubber Oxidation with H2O2 and KMnO4 on the Structure and Performance of Flexible Polyurethane/Ground Tire Rubber Composite Foams
PublikacjaThe use of waste tires is a very critical issue, considering their environmental and economic implications. One of the simplest and the least harmful methods is conversion of tires into ground tire rubber (GTR), which can be introduced into different polymer matrices as a filler. However, these applications often require proper modifications to provide compatibility with the polymer matrix. In this study, we examined the impact...
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Enhanced interfacial and mechanical performance of styrene-butadiene rubber/silica composites compatibilized by soybean oil derived silanized plasticization
PublikacjaSilanized plasticizer (SP) was chemically derived and synthesized from soybean oil (SBO) co-vulcanized with bis-(3-(triethoxysilyl)-propyl) tetrasulfide (TESPT) by using the sulfur-accelerated curing system. SP extended styrene-butadiene rubber (SBR)/silica composites have been studied for their improved filler dispersion through coupling interaction at the SBR/silica interface. The effect of SP on cross-link density, thermal,...
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Thermal and Mechanical Behavior of Elastomers Incorporated with Thermoregulating Microcapsules
PublikacjaPolyurethane (PU) is one of the principal polymers in the global plastic market thanks to its versatility and continuous improvement. In this work, PU elastomeric materials having thermoregulating properties through the incorporation of microcapsules (mSD-(LDPE·EVA-RT27)) from low-density polyethylene and vinyl acetate containing paraffin®RT27 as PCM were produced. Elastomers were synthesized while varying the molar ratio [NCO]/[OH]...