Filters
total: 474
filtered: 422
-
Catalog
Chosen catalog filters
Search results for: LINEAR LOW-DENSITY POLYETHYLENE
-
Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
-
On the application of magnetoelastic properties measureme nts for plastic level determination in martensitic steels
PublicationThe change in the dislocation density, induced by plastic deformation, influences strongly the magnetic domain structure inside the material. Being so, classic parameters, like the coercivity or magnetic permeability, can be a good measure of the deformation level, yet their reliable determination in a non-destructive way in industrial environment is problematic. The magnetoacoustic emission (MAE) which results from the non-180...
-
MnxCo3-xO4 spinel oxides as efficient oxygen evolution reaction catalysts in alkaline media
PublicationThe design of efficient electrocatalysts for oxygen evolution reaction (OER) is an essential task in developing sustainable water splitting technology for the production of hydrogen. In this work, manganese cobalt spinel oxides with a general formula of MnxCo3-xO4 (x=0, 0.5, 1, 1.5, 2) were synthesised via a soft chemistry method. Non-equilibrium mixed powder compositions were produced, resulting in high electrocatalytic activity....
-
Free-standing TiO2 nanotubes decorated with spherical nickel nanoparticles as a cost-efficient electrocatalyst for oxygen evolution reaction
PublicationHere, we report significant activity towards the oxygen evolution reaction (OER) of spherical nickel nanoparticles (NPs) electrodeposited onto free-standing TiO2 nanotubes (TNT) via cyclic voltammetry. It has been shown that simple manipulation of processing parameters, including scan rate and number of cycles, allows for formation of the NPs in various diameters and amounts. The polarization data with respect to transmission electron...
-
Self-organized multilayered graphene-boron doped diamond hybrid nanowalls for high performance electron emission devices
PublicationCarbon nanomaterials like nanotubes, nanoflakes/nanowalls and graphene have been used as electron sources due to their superior field electron emission (FEE) characteristics. Nevertheless, these materials show poor stability and a short lifetime, preventing them from being used in practical device applications. The intention of this study was to find an innovative nanomaterial, possessing both high robustness and reliable FEE behavior....
-
Application of dynamic headspace and gas chromatography coupled to mass spectrometry (DHS-GC-MS) for the determination of oxygenated volatile organic compounds in refinery effluents
PublicationThe paper presents a new procedure for the determination of oxygenated volatile organic compounds (O-VOCs) in postoxidative effluents from the production of petroleum asphalt using dynamic headspace coupled to gas chromatography-mass spectrometry in the selected ion monitoring (SIM) mode (DHSGC-MS). Among the GC capillary columns tested, a polar SLB-IL111 column with the ionic liquid stationary phase was found to be superior due...
-
Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
-
Plant-based meat substitute analysis using microextraction with deep eutectic solvent followed by LC-MS/MS to determine acrylamide, 5-hydroxymethylfurfural and furaneol
PublicationFor the analysis of plant-based meat substitutes and the determination of Maillard reaction products such as acrylamide, 5-hydroxymethylfurfural and furaneol, a novel and effective procedure based on hydrophobic natural deep eutectic solvent and liquid chromatography coupled with tandem mass spectrometry was developed for the first time. The 49 compositions of the deep eutectic solvents were designed and screened to select the...
-
Superhydrophobic and superoleophilic melamine sponges impregnated with deep eutectic solvents for oil spill cleanup
PublicationThe extensive extraction of oil from the bottom of seas and oceans and its transportation by tankers increase the risk of potential environmental disasters associated with hydrocarbon fractions entering water reservoirs. Therefore, this paper presents the preparation of a simple impregnation of a melamine sponge with deep eutectic solvents (DES), which can be obtained from natural sources, including coconut oil, palm kernel oil,...
-
The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublicationAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
-
Heterotrophic Anodic Denitrification in Microbial Fuel Cells
PublicationNowadays, pollution caused by energy production systems is a major environmental concern. Therefore, the development of sustainable energy sources is required. Amongst others, the microbial fuel cell (MFC) seems to be a possible solution because it can produce clean energy at the same time that waste is stabilized. Unfortunately, mainly due to industrial discharges, the wastes could contain nitrates, or nitrates precursors such...
-
Curing characteristics, mechanical and thermal properties of reclaimed ground tire rubber cured with various vulcanizing systems
PublicationGround tire rubber was thermo-mechanical reclaimed at 120 °C using a co-rotating twin screw extruder. The effect of vulcanizing system type on curing characteristics, static mechanical properties (tensile strength, elongation-at-break, hardness and resilience), dynamic mechanical properties and thermal properties of reclaimed ground tire rubber was investigated. Reclaimed rubber was cured using different types of vulcanization...
-
FTIR spectroscopic and thermogravimetric characterization of ground tyre rubber devulcanized by microwave treatment
PublicationIn this work, the phenomena involved in the microwave devulcanization of ground tyre rubber (GTR) were investigated. Three types of GTR with different content of organic compounds (elastomers, plasticizers, etc.), carbon black and ash have been studied. The chemical structure of GTR before and after a microwave devulcanization process was analyzed by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA)...
-
Hydrogen Embrittlement and Oxide Layer E ect in the Cathodically Charged Zircaloy-2
PublicationThe present paper is aimed at determining the less investigated effects of hydrogen uptake on the microstructure and the mechanical behavior of the oxidized Zircaloy-2 alloy. The specimens were oxidized and charged with hydrogen. The different oxidation temperatures and cathodic current densities were applied. The scanning electron microscopy, X-ray electron diffraction spectroscopy, hydrogen absorption assessment, tensile, and...
-
Material characterisation of biaxial glass-fibre non-crimp fabrics as a function of ply orientation, stitch pattern, stitch length and stitch tension
PublicationDue to their high density-specific stiffnesses and strength, fibre reinforced plastic (FRP) composites are particularly interesting for mobility and transport applications. Warp-knitted non-crimp fabrics (NCF) are one possible way to produce such FRP composites. They are advantageous because of their low production costs and the ability to tailor the properties of the textile to the reinforcement and drape requirements of the application....
-
Is the microfiltration process suitable as a method of removing suspended solids from rainwater?
PublicationDue to climate change and anthropogenic pressure, freshwater availability is declining in areas where it has not been noticeable so far. As a result, the demands for alternative sources of safe drinking water and effective methods of purification are growing. A solution worth considering is the treatment of rainwater by microfiltration. This study presents the results of selected analyses of rainwater runoff, collected from the...
-
DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublicationIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
-
Sustainable Use of the Catenary by Trolleybuses with Auxiliary Power Sources on the Example of Gdynia
PublicationThe current developments in onboard power source technology, in particular, traction batteries, open up new potential in trolleybus transport and also make it possible to introduce electric buses. Thus far, trolleybus transport has required the presence of overhead lines (OHL). Introducing trolleybuses with onboard batteries makes it possible to grow the zero-emissions transport network in places with limited power supply capabilities...
-
Noise sources in Raman spectroscopy of biological objects
PublicationWe present an overview of noise sources deteriorating the quality of the recorded biological Raman spectra and the ability to determine the specimen composition. The acquired Raman spectra exhibit intense additive noise components or drifts because of low intensity of the scattered light. Therefore we have to apply expensive or bulky measurement setups to limit their inherent noise or to apply additional signal processing to reduce...
-
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...
-
Smart Virtual Bass Synthesis Algorithm Based on Music Genre Classification
PublicationThe aim of this paper is to present a novel approach to the Virtual Bass Synthesis (VBS) algorithms applied to portable computers. The proposed algorithm employed automatic music genre recognition to determine the optimum parameters for the synthesis of additional frequencies. The synthesis was carried out using the non-linear device (NLD) and phase vocoder (PV) methods depending on the music excerpt genre. Classification of musical...
-
Linear and nonlinear impedance in iron oxide glasses containing alkaline ions and alkali free
PublicationThe linear and nonlinear impedance spectra of oxide glasses were measured in the frequency range of 1 mHz to 1 MHz and in the temperature range of 153K to 483K. Two groups of iron oxide glass samples were prepared, the first one containing alkaline ions and the second one without alkali. In the first group, compositions of glasses were as follows: (in %mol) 50% SiO2 , 25% PbO, 15% Fe2O3 and 15% one of alkaline oxides: Na2O, K2O,...
-
Hydrophobic deep eutectic solvents as “green” extraction media for polycyclic aromatic hydrocarbons in aqueous samples
PublicationThe paper presents novel nonionic and hydrophobic deep eutectic solvents which were synthesized from natural compounds, i.e., thymol, ±camphor, decanoic and 10-undecylenic acids. Fundamental physicochemical properties of the synthesized deep eutectic solvents were determined, followed by their application as extractants in ultrasound-assisted dispersive liquid-liquid microextraction to isolate and enrich polycyclic aromatic hydrocarbons...
-
Forced vibrations in a dynamic system that is damped by a mechanism that trans-pass through its singular position
PublicationIn the paper, vibrations of a hybrid multibody-continuous system are investigated. For all the mechanical devices, effective damping methods are crucial in the design process. To obtain it, installation of viscous dampers or elasto-viscous elements is dominant. In the paper, an alternative method is investigated. It is based on modal disparity. To describe the method briefly, when structural damping is present in continuous systems,...
-
Generalized regression neural network and fitness dependent optimization: Application to energy harvesting of centralized TEG systems
PublicationThe thermoelectric generator (TEG) system has attracted extensive attention because of its applications in centralized solar heat utilization and recoverable heat energy. The operating efficiency of the TEG system is highly affected by operating conditions. In a series-parallel structure, due to diverse temperature differences, the TEG modules show non-linear performance. Due to the non-uniform temperature distribution (NUTD) condition,...
-
Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublicationDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
-
ADAPTATION OF ENGINEERING FEA-BASED ALGORITHMS TO LCF FAILURE AND MATERIAL DATA PREDICTION IN OFFSHORE DESIGN
PublicationThere is an ever growing industrial demand for quantitative assessment of fatigue endurance of critical structural details. Although FEA-based calculations have become a standard in engineering design, problems involving the Low-To-Medium cycle range (101-104) remain challenging. This paper presents an attempt to optimally choose material data, meshing density and other algorithm settings in the context of recent design of the...
-
Metal-organic frameworks (MOF) based heat transfer: A comprehensive review
PublicationHigher than a standard level, the humidity provides a suitable environment for the pathogenic microorganisms to grow and increases energy consumption for cooling, increasing greenhouse gas emissions. Desiccant air-conditioning (DAC) is an effective method to reduce humidity and energy simultaneously. Conventional desiccants are not suitable for use as a desiccant in building air conditioners, mainly because of high regeneration...
-
Towards Carbon Neutral Settlements. The Importance of Early-Stage Urban and Energetic Optimizations
PublicationThe aim of the research was to verify the essence of interdisciplinary energy optimizations in earlystage urban design process. A further aim was to the find most optimal design variant and scenario in terms of urban energy efficiency for the future development in Nowy Port, located in Gdansk, Poland - a place requiring complex revitalization. The research combined qualitative and quantitative approaches; an urban design layer...
-
Tuning of the Electrochemical Properties of Transparent Fluorine-doped Tin Oxide Electrodes by Microwave Pulsed-plasma Polymerized Allylamine
PublicationWe report here the dry, one-step, and low-temperature modification of FTO surfaces using pulsed plasma polymerization of allylamine (PPAAm). PPAAm/FTO surfaces were characterized by X-ray photoelectron spectroscopy, spectroscopic ellipsometry, and contact angles to understand the morphological, structural, and optical properties. FTO were coated with a very thin layer of adherent cross-linked, pinhole-, and additive-free allylamine...
-
Preparation of Well-Compatibilized PP/PC Blends and Foams Thereof
PublicationThe performance of polypropylene-poly(ethylene brassylate) block and graft copolymers and a polypropylene-polycaprolactone graft copolymer as compatibilizers for polypropylene-rich polypropylene/bisphenol A polycarbonate (PP/PC, 80/20 wt/wt) blends was elucidated. The copolymers were synthesized either by metal-catalyzed ring-opening polymerization or transesterification of a presynthesized polyester, initiated by hydroxyl-functionalized...
-
Linking optical and electronic properties to photoresponse of heterojunctions based on titania nanotubes and chromium, molybdenum, and tungsten oxides
PublicationThe development of photosensitization strategies for titanium dioxide is necessary for the enhancement of its optical and electronic properties towards its application potential in solar photoelectrochemistry. In this work, significant differences in the photosensitizing capability of the 6th group transition metal oxides applied on the surface of titania nanotubes are reported. For the first time, correlations between the experimentally...
-
Experimental study on polymer mass used to repair damaged structures
PublicationA new method of repairing damaged structures by injecting the cracks with specially designed polymer mass (flexible two-component grout based on polyurethane resin) has been recently proposed. The technique is mainly dedicated to damaged masonries, especially historical structures where minimum intervention is permitted. The cracks are filled with the special injection, forming the flexible joints bonding the disrupted structural...
-
Annual variability of heavy metal content in Svalbard reindeer faeces as a result of dietary preferences
PublicationDuring both winter and summer, Svalbard reindeer selectively feed on different types of vegetation that are not only a source of nutritional value, but also a place of heavy metal accumulation. In the present study, the content of cadmium, chromium, copper, iron, lead, nickel, manganese, and zinc in reindeer excrement was measured. The main aims were to determine the seasonal content of several heavy metals in Svalbard reindeer...
-
Galerkin formulations of isogeometric shell analysis: Alleviating locking with Greville quadratures and higher-order elements
PublicationWe propose new quadrature schemes that asymptotically require only four in-plane points for Reissner–Mindlin shell elements and nine in-plane points for Kirchhoff–Love shell elements in B-spline and NURBS-based isogeometric shell analysis, independent of the polynomial degree p of the elements. The quadrature points are Greville abscissae associated with pth-order B-spline basis functions whose continuities depend on the specific...
-
Advanced Potential Energy Surfaces for Molecular Simulation
PublicationAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
-
Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
PublicationDensity functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutrality has to be imposed, and this is often done via a uniform background charge of opposite sign (“jellium”). This artificial neutralization does not occur in reality, where a different...
-
Synthesis of Cyano-Benzylidene Xanthene Synthons Using a Diprotic Brønsted Acid Catalyst, and Their Application as Efficient Inhibitors of Aluminum Corrosion in Alkaline Solutions
PublicationNovel cyano-benzylidene xanthene derivatives were synthesized using one-pot and condensation reactions. A diprotic Brønsted acid (i.e., oxalic acid) was used as an effective catalyst for the promotion of the synthesis process of the new starting xanthene–aldehyde compound. Different xanthene concentrations (ca. 0.1–2.0 mM) were applied as corrosion inhibitors to control the alkaline uniform corrosion of aluminum. Measurements were...
-
Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublicationThis work presents extensive theoretical studies focused on the mixed ion-electron transport in cubic strontium titanate (STO). A new approach to the description of this difficult system was developed within the framework of linear-scaling Kohn–Sham density functional theory, as realized in the ONETEP program. The description we present is free of any empirical parameters and relies on the Hubbard U and Hund’s J corrections applied...
-
The dependence of linear viscoelasticity limits of cold-recycled mixtures on time of curing and compaction method
PublicationCold-recycled mixtures are currently among the most widely used and investigated methods that enable recycling of old pavement structures in an environmentally friendly manner. Upon milling, the old pavement structure – whose gradation can be improved with addition of virgin aggregate – is mixed and compacted at ambient temperature. The main binding agents are bituminous emulsion and cement. Due to their dual binding behaviour,...
-
Simulation of the response of base-isolated buildings under earthquake excitations considering soil flexibility
PublicationThe accurate analysis of the seismic response of isolated structures requires the incorporation of the flexibility of supporting soil. However, it is often customary to idealize the soil as rigid during the analysis of such structures. In the present paper, seismic response time history analyses of base-isolated buildings modelled as single degree-of-freedom (SDOF) and multi degree-of-freedom (MDOF) systems with linear and nonlinear...
-
Polymer derived SiOC/Sn nanocomposites from a low-cost single source precursor as anode materials for lithium storage applications
PublicationMetal- based materials capable of lithium (Li) alloy formation are key to realization of the next generation of high-energy density anodes for Li-ion batteries, owing to their high storage capacity. Designing a good sup- porting matrix is essential for homogeneously nesting these metallic nanodomains, to effectively utilize their high capacity while tackling the volume expansion issues. Silicon oxycarbides (SiOC), obtained via...
-
Physical properties of homogeneous TiO2 films prepared by high power impulse magnetron sputtering as a function of crystallographic phase and nanostructure
PublicationOptical, photo-electrochemical, crystallographic and morphological properties of TiO2 thin films prepared by high power impulse magnetron sputtering at low substrate temperatures (<65 ◦C) without post-deposition thermal annealing are studied. The film composition-anatase, rutile or amorphous TiO2-is adjusted by the pressure (p ∼ 0.75-15 Pa) in the deposition chamber. The different crystallographic phases were determined with grazing...
-
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...
-
Synthesis of Titanium Dioxide via Surfactant-Assisted Microwave Method for Photocatalytic and Dye-Sensitized Solar Cells Applications
PublicationIn this study, titania nanoparticles were obtained using the microwave-assisted technique. Moreover, different surfactants (PEG (Mn = 400), Pluronic P123 and Triton X−100) were used during the synthesis in order to determine their impact on the crystallinity and morphology of the final products. Subsequently, techniques such as XRD, SEM and TEM (performed in high contrast and high-resolution mode), diffuse reflectance spectroscopy...
-
Pre-Treatment of Furniture Waste for Smokeless Charcoal Production
PublicationThe aim of this study was to assess the possibility of using furniture waste for smokeless fuel production using the pyrolysis process. Four types of wood-based wastes were used in the pyrolysis process: pine sawdust (PS), chipboard (CB), medium-density fiberboard (MDF), and oriented strand board (OSB). Additionally, the slow and fast types of pyrolysis were compared, where the heating rates were 15 C/min and 100 C/min, respectively....
-
3D Metamaterial Ultra-Wideband Absorber for curved surface
PublicationThis paper proposes a three-dimensional metamaterial absorber based on a resistive film patch array to develop a low-cost, lightweight absorber for curved surfaces. An excellent absorption over a large frequency band is achieved through two different yet controllable mechanisms; In the first mechanism, a considerable attenuation in the wave power is achieved via graphite resistive films. The absorption is then intensified through...
-
Cellulosic bionanocomposites based on acrylonitrile butadiene rubber and Cuscuta reflexa: adjusting structure-properties balance for higher performance
PublicationDesign and manufacture of cellulosic nanocomposites with acceptable performance is in the period of a transition from fantasy to reality. Typically, cellulosic nanofillers reveal poor compatibility with polymer matrices. Thus, adjusting the balance between structure and properties of cellulosic bionanocomposites by careful selection of parent ingredients is the first priority. Herein, we incorporated Cuscuta reflexa derived cellulose...
-
Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublicationThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
-
Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
PublicationThe quantitative structure–activity relationship (QSPR) model was formulated to quantify values of the binding constant (lnK) of a series of ligands to beta–cyclodextrin (β-CD). For this purpose, the multivariate adaptive regression splines (MARSplines) methodology was adopted with molecular descriptors derived from the simplified molecular input line entry specification (SMILES) strings. This approach allows discovery of regression...