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Search results for: WHEAT STRAW · CHEMICAL-TREATED TORREFACTION · ENERGY DENSITY · OPTIMIZATION · RSM
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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...
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A new index for statistical analyses and prediction of travelling ionospheric disturbances
PublicationTravelling Ionospheric Disturbances (TIDs) are signatures of atmospheric gravity waves (AGWs) observed in changes in the electron density. The analysis of TIDs is relevant for studying coupling processes in the thermosphere–ionosphere system. A new TID index is introduced, which is based on an easy extension of the commonly used approach for TID detection. This TID activity index, which can be applied for individual Global Navigation...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Numerical model for thin liquid film with evaporation and condensation on solid surfaces in systems with conjugated heat transfer
PublicationCondensation and evaporation processes from wetted surfaces are of utmost importance in many technological or industrial applications. In many devices such as home-appliances and air conditioning systems just to name a few, condensation and evaporation processes greatly impact their performance and energy efficiency; The physics of these processes is quite complex, involving conjugate heat transfer among solid–liquid film-gaseous...
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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...
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Antimicrobial resistance of fecal indicators in muncipal wastewater treatment plant
PublicationAntimicrobial resistance of fecal coliforms (n = 153) and enterococci (n = 199) isolates was investigated in municipal wastewater treatment plant (WWTP) based on activated sludge system. The number of fecal indicators (in influent and effluent as well as in the aeration chamber and in return activated sludge mixture) was determined using selective media. Susceptibility of selected strains was tested against 19 (aminoglycosides,...
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Numerical simulation of temperature distribution of heat flow on reservoir tanks connected in a series
PublicationThe flow of temperature distribution through a medium in thermodynamic studies plays an important role in understanding physical phenomena in chemical science and petroleum engineering, while temperature distribution indicates the degree of reaction that must be undergone to obtain the final product. Therefore, this paper aims to present and apply the exponential matrix algorithm (EMA), differential transformation algorithm (DTA),...
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On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation
PublicationIn this paper droplet evaporative crystallization of salicylic acid (SA) and acetylsalicylic acid (ASA) crystals on different surfaces, such as glass, polyvinyl alcohol (PVA), and paraffin was studied. The obtained crystals were analyzed using powder X-ray diffraction (PXRD) technique. In order to better understand the effect of the surface on evaporative crystallization, crystals deposited on glass were scraped off. Moreover,...
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Physicochemical Properties and Application of Silica-Doped Biochar Composites as Efficient Sorbents of Copper from Tap Water
PublicationThis article concerns research on new sorption materials based on silica-doped activated carbon. A two-stage synthesis involved pyrolysis of plant material impregnated in a water glass solution , followed by hydrothermal activation of the pyrolysate in KOH solution. The resulting composite can be used as a sorbent in drinking water filters. The proposed method of synthesis enables the design of materials with a surface area...
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Enhanced electrochemical activity of boron-doped nanocarbon functionalized reticulated vitreous carbon structures for water treatment applications
PublicationAn extraordinary charge transfer kinetics and chemical stability make a boron-doped diamond (BDD) a prom- ising material for electrochemical applications including wastewater treatment. Yet, with flat geometrical sur- faces its scaling options are limited. In this study, the reticulated Vitreous Carbon (RVC) served as a substrate for boron-doped diamondized nanocarbons (BDNC) film growth resulting with complex heterogeneity carbon structures...
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Formaldehyde detection with chemical gas sensors based on WO3 nanowires decorated with metal nanoparticles under dark conditions and UV light irradiation
PublicationWe report results of formaldehyde gas (CH2O) detection under dark conditions and UV light irradiation with pristine tungsten trioxide nanowires (WO3 NWs) and metal nanoparticles decorated WO3 NWs gas sensing layers. The resistive layers were deposited by one step aerosol assisted chemical vapor deposition (AACVD) on commercial alumina substrates with 10-pair interdigitated platinum electrodes. The elaborated gas sensors, based...
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The Influence of the Depth of Cut in Single-Pass Grinding on the Microstructure and Properties of the C45 Steel Surface Layer
PublicationThe paper contains the results of a metallographic examination and nanoindentation test conducted for the medium carbon structural steel with low content of Mn, Si, Cu, Cr, and Ni after its grinding to a depth ranging from 2 μm to 20 μm, at constant cutting speed (peripheral speed) of vs = 25 ms−1 and constant feed rate of vft = 1 m/min. Applied grinding parameters did not cause the surface layer hardening, which could generate...
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Redox State Sensitive Spectroscopy of the Model Compound [(H-dcbpy)(2)Ru-II(NCS)(2)](2-) (dcbpy=2,2 '-Bipyridine-4,4 '-dicarboxylato)
PublicationThe charge transfer reaction mechanism in a ruthenium polypyridine model complex with isothiocyanato ligands, i.e., [(H-dcbpy)(2)Ru(NCS)(2)](2-) 2Bu(4)N(+) (Ru2H) (dcbpy = 2,2'-bipyridine-4,4'-dicarboxylato), has been investigated by combining UV-vis absorption, resonance Raman spectroscopy, and electrochemical methods. Understanding the photophysics of light-harvesting complexes of this class is an indispensable prerequisite to...
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Deep Eutectic Solvents: Properties and Applications in CO2 Separation
PublicationNowadays, many researchers are focused on finding a solution to the problem of global warming. Carbon dioxide is considered to be responsible for the “greenhouse” effect. The largest global emission of industrial CO2 comes from fossil fuel combustion, which makes power plants the perfect point source targets for immediate CO2 emission reductions. A state-of-the-art method for capturing carbon dioxide is chemical absorption using...
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Electromagnetic Control and Dynamics of Generalized Burgers’ Nanoliquid Flow Containing Motile Microorganisms with Cattaneo–Christov Relations: Galerkin Finite Element Mechanism
PublicationIn our research work, we have developed a model describing the characteristics of the bio-convection and moving microorganisms in the flows of a magnetized generalized Burgers’ nanoliquid with Fourier’s and Fick’s laws in a stretchable sheet. Considerations have been made to Cattaneo–Christov mass and heat diffusion theory. According to the Cattaneo–Christov relation, the Buongiorno phenomenon for the motion of a nanoliquid in...
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Advanced Turbine Cycles with Organic Media
PublicationOrganic Rankine Cycle (ORC) power plants have become very popular and have found their applications in systems with renewable sources of energy. So far their overall efficiencies are not very impressive and only for the upper temperature of about 300 °C do they exceed 20%. A drawback of these cycles is the limitation of the cycle upper temperature due to the heat exchanger technology and the materials used. However, it is possible...
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An adaptive-noise Augmented Kalman Filter approach for input-state estimation in structural dynamics
PublicationThe establishment of a Digital Twin of an operating engineered system can increase the potency of Structural Health Monitoring (SHM) tools, which are then bestowed with enhanced predictive capabilities. This is particularly relevant for wind energy infrastructures, where the definition of remaining useful life is a main driver for assessing the efficacy of these systems. In order to ensure a proper representation of the physical...
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Highly crystalline colloidal nickel oxide hole transport layer for low-temperature processable perovskite solar cell
PublicationHighly crystalline NiOX usually requires high annealing temperature (>300 °C) which is incompatible with flexible substrate and might consume high amount of energy. Herein, we demonstrate a facile emulsion process to synthesize highly crystalline, low temperature deposition (<150 °C) and solution processable NiOx nanoparticles (NPs) as a hole transport layer for the perovskite solar cells (PVSCs)....
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Influence of B/N co-doping on electrical and photoluminescence properties of CVD grown homoepitaxial diamond films
PublicationBoron doped diamond (BDD) has great potential in electrical, and electrochemical sensing applications. The growth parameters, substrates, and synthesis method play a vital role in the preparation of semiconducting BDD to metallic BDD. Doping of other elements along with boron (B) into diamond demonstrated improved efficacy of B doping and exceptional properties. In the present study, B and nitrogen (N) co-doped diamond has been...
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Fabrication and characterization of boron-doped nanocrystalline diamond-coated MEMS probes
PublicationFabrication processes of thin boron-doped nanocrystalline diamond (B-NCD) films on silicon-based micro- and nano-electromechanical structures have been investigated. Nanocrystalline boron doped -diamond (B-NCD) films were deposited using Microwave Plasma Assisted Chemical Vapour Deposition (MW PA CVD) method. The variation of B-NCD morphology, structure and optical parameters were particularly investigated. The use of truncated...
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Thermally tuneable optical and electrochemical properties of Au-Cu nanomosaic formed over the host titanium dimples
PublicationAu-Cu nanostructures offer unique optical and catalytic properties unlike the monometallic ones resulting from the specific interaction. Among others, they have the ability to exhibit surface plasmon resonance, electrochemical activity towards the oxygen and hydrogen evolution reaction (OER, HER) as well as improved photoresponse in relation to monometalic but those properties depend highly on the substrate where bimetallic structures...
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A novel approach in wood waste utilization for manufacturing of catalyst-free polyurethane-wood composites (PU-WC)
PublicationIn recent decades, due to the increase in environmental awareness and noticeable environmental degradation, the area of wood waste management has attracted increasing attention. The purpose of this study is to develop a new type of highly filled polyurethane wood-composite (PU-WC) by the utilization of large amount of wood wastes without addition of a catalyst. Although wood-plastic composites (WPCs) are widely known, there is...
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Genetic Hybrid Predictive Controller for Optimized Dissolved-Oxygen Tracking at Lower Control Level
PublicationA hierarchical two-level controller for dissolvedoxygenreference trajectory tracking in activated sludge processeshas been recently developed and successfully validated on a realwastewater treatment plant. The upper level control unit generatestrajectories of the desired airflows to be delivered by theaeration system to the aerobic zones of the biological reactor. Anonlinear model predictive control algorithm is applied to designthis...
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(4-(Bis(4-Fluorophenyl)Methyl)Piperazin-1-yl)(Cyclohexyl)Methanone Hydrochloride (LDK1229): A New Cannabinoid CB1 Receptor Inverse Agonist from the Class of Benzhydryl Piperazine Analogs
PublicationSome inverse agonists of cannabinoid receptor type 1 (CB1) have been demonstrated to be anorectic antiobesity drug candidates. However, the first generation of CB1 inverse agonists, represented by rimonabant (SR141716A), otenabant, and taranabant, are centrally active, with a high level of psychiatric side effects. Hence, the discovery of CB1 inverse agonists with a chemical scaffold distinct from these holds promise for developing...
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Reaktory elektrochemiczne w przemyśle - konstrukcja i zastosowania
PublicationZ biegiem lat reakcje elektrochemiczne przestały być postrzegane jedynie jako eksperymenty laboratoryjne lub proste baterie. Chociaż mechanizm reakcji i budowa prostych reaktorów znana jest ludzkości już od ponad 100 lat w ostatnich latach można zauważyć największy wzrost zainteresowania tą dziedziną. Nowy stale opracowywane są lepsze projekty budowy reaktorów. Modyfikacje to nie tylko rodzaje i formy materiałów, z których wykonane...
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The role of aluminium in metal–organic frameworks derived carbon doped with cobalt in electrocatalytic oxygen evolution reaction
PublicationWater electrolysis is one of the most crucial processes in the development of new energy sources, where ultra-clean fuel is produced - hydrogen. Oxygen evolution reaction (OER) is the sluggish process of overall water splitting. Therefore, this study presents the design, characterization and electrochemical study of cobalt-based electrocatalysts embedded into porous carbons derived from an Al-metal–organic...
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UV Light-Modulated Fluctuation-Enhanced Gas Sensing by Layers of Graphene Flakes/TiO2 Nanoparticles
PublicationWe present experimental results of fluctuation-enhanced gas sensing by low-cost resistive sensors made of a mixture of graphene flakes and TiO2 nanoparticles. Both components are photocatalytic and activated by UV light. Two UV LEDs of different wavelengths (362 and 394 nm) were applied to modulate the gas sensing of the layers. Resistance noise was recorded at low frequencies, between 8 Hz and 10 kHz. The sensors’ response was...
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Intramolecular Proton Transfer in the Radical Anion of Cytidine Monophosphate Sheds Light on the Sensitivities of Dry vs Wet DNA to Electron Attachment-Induced Damage
PublicationSingle-strand breaks (SSBs) induced via electron attachment were previously observed in dry DNA under ultrahigh vacuum (UHV), while hydrated electrons were found not able to induce this DNA damage in an aqueous solution. To explain these findings, crossed electron-molecular beam (CEMB) and anion photoelectron spectroscopy (aPES) experiments coupled to density functional theory (DFT) modeling were used to demonstrate the fundamental...
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Mechanical Properties of Bio-Composites Based on Epoxy Resin and Nanocellulose Fibres
PublicationThe aim of our research was to investigate the effect of a small nanocellulose (NC) addition on an improvement of the mechanical properties of epoxy composites. A procedure of chemical extraction from pressed lignin was used to obtain nanocellulose fibers. The presence of nanoparticles in the cellulose pulp was confirmed by FTIR/ATR spectra as well as measurement of nanocellulose particle size using a Zetasizer analyzer. Epoxy...
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Microwave radiation in the synthesis of urethane prepolymers
PublicationThis paper describes the use of microwave radiation in the synthesis of urethane prepolymers in bulk (without solvent). The prepolymers were synthesized using 1,6-hexamethylene diisocyanate (HDI) and poly (ε-caprolactone) diol (PCL) at a molar ratio of 4:1. The reaction was carried out without a catalyst in the reactor with a conventional heating system (oil bath) or in the microwave reactor (MW Reactor NOVA 09) at temperatures...
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Structural investigations of niobium-doped bioactive calcium-phosphate glass-ceramics by means of spectroscopic studies
PublicationSynthetic calcium-phosphate based glasses and glass-ceramics play a crucial role in the development of tissue engineering. These materials have a high biocompatibility with biological analogues, excellent ability to undergo varying degrees of resorbability and due to their non-toxicity and relatively high bioactivity they are commonly used as bone and dental implants. A substantial research effort is devoted to improve synthetic...
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Two-step synthesis of niobium doped Na–Ca–(Mg)–P–Si–O glasses
PublicationNiobium doped biosolubility glasses in the Na–Ca–(Mg)–P–Si–O system were prepared by using an untypical two-step synthesis route. The parent glass was melted in air atmosphere at 1350 °C followed by re-melting the glass in Nb crucible with the addition of metallic Mg/Ca powder in the nitrogen atmosphere. The second melting step was carried out at 1450–1650 °C, using an induction furnace. The topography and structure of the obtained...
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Waste materials assessment for phosphorus adsorption toward sustainable application in circular economy
PublicationPhosphorus is the main determinant of nutrient enrichment in the water bodies. Many resources including nutrients may be shortly exhausted, assuming current consumption. This scenario leads to growing interest in resources recovery and/or reuse, which together with sustainable energy consumption and waste reduction are the main courses of the circular economy. Usage of coagulants in wastewater treatment plants (WWTP) does not allow...
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The role of the sawage treatment plant in the removal of genotoxic compounds from the environment
PublicationOne reason for increased incidence of various types of cancer are environmental pollutants particularly of anthropogenic origin. All human activities may pollute the environment, but some have significant impact, just to mention energy industry, mining, transportation, chemical and petrochemical industries and housing. Environmental pollutants are a large group of compounds in terms of their physicochemical properties, some of...
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Graphene oxide aerogels for adsorptive separation of aromatic hydrocarbons and cycloalkanes
PublicationEfficient separation of benzene and cyclohexane has critical importance for production of commodity chemicals, and is one of the most challenging separations in the industry. Physisorption by recyclable, porous solids has a significant potential in substituting energy-intensive azeotropic or extractive distillation methods. Reduced graphene oxide aerogels (rGOAs) are emerging materials holding great promise for connecting unique...
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Experimental study and numerical simulation on porosity dependent direct reducibility of high-grade iron oxide pellets in hydrogen
PublicationThe transition to more environmentally friendly steel production methods has intensified research into hydrogen-based direct reduction (HyDR) of iron oxide pellets. The aim of this study is to systematically investigate the kinetics of the reduction process, the evolution of porosity and the resulting microstructural changes on the reduction behavior of high-quality pellets during HyDR of iron ore at different temperatures. A modified...
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The effect of aeration mode (intermittent vs. continuous) on nutrient removal and greenhouse gas emissions in the wastewater treatment plant of Corleone (Italy)
PublicationThe paper reports the results of an experimental study aimed at comparing two configurations of a full-scale wastewater treatment plant (WWTP): conventional activated sludge (CAS) and oxic-settling-anaerobic process (OSA) with intermittent aeration (IA). A comprehensive monitoring campaign was carried out to assess multiple parameters for comparing the two configurations: carbon and nutrient removal, greenhouse gas emissions, respirometric...
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Studies on Silver Ions Releasing Processes and Mechanical Properties of Surface-Modified Titanium Alloy Implants
PublicationDispersed silver nanoparticles (AgNPs) on the surface of titanium alloy (Ti6Al4V) and titanium alloy modified by titania nanotube layer (Ti6Al4V/TNT) substrates were produced by the chemical vapor deposition method (CVD) using a novel precursor of the formula [Ag5(O2CC2F5)5(H2O)3]. The structure and volatile properties of this compound were determined using single crystal X-ray diffractometry, variable temperature IR spectrophotometry...
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Electrochemically Obtained TiO2/CuxOy Nanotube Arrays Presenting a Photocatalytic Response in Processes of Pollutants Degradation and Bacteria Inactivation in Aqueous Phase
PublicationTiO2/CuxOy nanotube (NT) arrays were synthesized using the anodization method in the presence of ethylene glycol and different parameters applied. The presence, morphology, and chemical character of the obtained structures was characterized using a variety of methods—SEM (scanning electron microscopy), XPS (X-ray photoelectron spectroscopy), XRD (X-ray crystallography), PL (photoluminescence), and EDX (energy-dispersive X-ray spectroscopy)....
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Miniaturized solid phase microextratcion
PublicationWithout any doubt analytical laboratories have an essential role in environmental protection due to the fact that they takes an active part in the monitoring pollutants present in air, water or soil. From the other side, the analytical activity is involved in the generation of toxic waste what is associated with the use of not eco-friendly reagents and solvents. For these reasons, green analytical chemistry (GAC) was introduced...
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A set of data constituting the basis for the publication entitled "Mitochondria dysfunction is one of the causes of diclofenac toxicity in the green alga Chlamydomonas reinhardtii"
Open Research DataNon-steroidal anti-inflammatory drugs (NSAIDs), such as diclofenac (DCF), form a significant group of environmental contaminants. When the toxic effects of DCF on plants are analyzed, authors often focus on photosynthesis, whilemitochondrial respiration is usually overlooked. Therefore, an in vivo investigation of plant mitochondria functioning under...
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Bioreactors and biophoton-driven biohydrogen production strategies
PublicationGiven the current issues with global warming and rising greenhouse gas emissions, biohydrogen is a viable alternative fuel option. Technologies to produce biohydrogen include photo fermentation, dark fermentation, direct and indirect bio-photolysis, and two-stage fermentation. Biological hydrogen generation is a green and promising technique with mild reaction conditions and low energy consumption compared to thermochemical and...
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INWESTYCJE ALTERNATYWNE – OPŁACALNOŚĆ A RYZYKO
PublicationW rozprawie określono pojęcie oraz miejsce inwestycji alternatywnych na rynku inwestycyjnym. Wskazane zostały atrybuty tych inwestycji. Zbudowano klasyfikację inwestycji alternatywnych w podziale na kategorie oraz typy wraz ze wskazaniem powiązań pomiędzy poszczególnymi produktami. Dokonano autorskiego podziału analizowanych inwestycji na aktywne i pasywne. Zbadano stopę zwrotu i ryzyko pięćdziesięciu inwestycji alternatywnych,...
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublicationThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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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....
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Efficient Extraction of Fermentation Inhibitors by Means of Green Hydrophobic Deep Eutectic Solvents
PublicationThe methods for hydrogen yield efficiency improvements, the gaseous stream purification in gaseous biofuels generation, and the biomass pretreatment are considered as the main trends in research devoted to gaseous biofuel production. The environmental aspect related to the liquid stream purification arises. Moreover, the management of post-fermentation broth with the application of various biorefining techniques gains importance....
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Bio‑derived polyurethanes obtained by non‑isocyanate route using polyol‑based bis(cyclic carbonate)s—studies on thermal decomposition behavior
PublicationNon-isocyanate polyurethanes (NIPUs) constitute one of the most prospective groups of eco-friendly materials based on their phosgene-free synthesis pathway. Moreover, one of the steps of their obtaining includes the use of carbon dioxide (CO 2 ), which allows for the promotion of the development of carbon dioxide capture and storage technologies. In this work, non- isocyanate polyurethanes were obtained via three-step synthesis...
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Influence of laser melting on surface layer properties of titanium alloy Ti6Al4V
PublicationIn time of rapid technology and medicine progress, implants are becoming more widely used in the human body, ranging from dental implants, stabilizing plates, screws, orthopaedic prostheses. For example, there are many types of hip prostheses used for hip replacement as well as various types of materials used for these orthopaedic prostheses. Properties of titanium alloys used in hip prostheses combined with good strength properties,...
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Eco-friendly Route for Thermoplastic Polyurethane Elastomers with Bio-based Hard Segments Composed of Bio-glycol and Mixtures of Aromatic–Aliphatic and Aliphatic–Aliphatic Diisocyanate
PublicationApplication of bio-based diisocyanates with low volatility instead petrochemical diisocyanates has positive impact on environment by reduction of hazardous effects on living organisms and lead to bio-based polyurethanes (bio-PUs) with good usage properties. This work was focused on the synthesis and chosen properties examination of partially bio-based thermoplastic polyurethane elastomers (bio-PUs) obtained using diisocyanate mixtures,...
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Polyurethane/Silane-Functionalized ZrO2 Nanocomposite Powder Coatings: Thermal Degradation Kinetics
PublicationA polyurethane (PU)-based powder coating reinforced with vinyltrimethoxysilane (VTMS)-functionalized ZrO2 nanoparticles (V-ZrO2) for thermal stability was developed. Chemical structure, microstructure and thermal degradation kinetics of the prepared coatings were investigated. The peak of aliphatic C–H vibrating bond in the Fourier transform infrared (FTIR) spectrum of V-ZrO2 was a signature of VTMS attachment. Scanning electron...