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Search results for: CHEMICAL VAPOR DEPOSITION
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The ONETEP linear-scaling density functional theory program
PublicationWe present an overview of the ONETEP program for linear-scaling density functional theory (DFT) calculations with large basis set (planewave) accuracy on parallel computers. The DFT energy is computed from the density matrix, which is constructed from spatially localized orbitals we call Non-orthogonal Generalized Wannier Functions (NGWFs), expressed in terms of periodic sinc (psinc) functions. During the calculation, both the...
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Enzyme-conjugated MXene nanocomposites for biosensing and biocatalysis acuities
PublicationEngineered two-dimensional (2-D) MXenes-based materials with tunable characteristics and multi-functionalities have brought up new paradigms in the biosensing and catalysis of chemical compounds. The profusion of electroactive functional moieties on the surface of few/multi-layer MXenes facilitates their ability to retain biomolecules such as enzymes resulting in unique dimensions for bioanalytical and biosensing applications....
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Bioactive core material for porous load-bearing implants
PublicationSo far state of knowledge on biodegradable materials is reviewed. Among a variety of investigated materials, those composed of polymers and ceramics may be considered as only candidates for a core material in porous titanium alloy. The collagen and chitosan among natural polymers, polyhydroxy acids among synthetic polymers, and hydroxyapatite and tricalcium phosphate among ceramics are proposed for further research. Three essential...
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Biological properties of chitosan/Eudragit E 100 and chitosan/poly(4-vinylpyridine) coatings electrophoretically deposited on AgNPs-decorated titanium substrate
PublicationThe objective of the study was the determination of the response, in contact with human osteoblast-like MG-63 cells, of electrophoretically deposited coatings composed of chitosan (CS), Eudragit E 100 (EE100), or poly(4- vinylpyridine) (P4VP) on a silver nanoparticle (AgNPs)-decorated titanium substrate. Before deposition, the substrate was coated with silver by electro-reduction of silver nitrate. The coatings deposition was carried...
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ELECTRON ATTACHMENT TO HETEROGENEOUS MOLECULAR CLUSTERS
PublicationHeterogeneous clusters are unique model species enabling studies of bulk and surface processes by vacuum restricted methods. This is of particular importance for the reactions of low-energy electrons which have extremely short penetration depth in bulk environments. This contribution overviews our recent experiments with low-energy electrons and clusters prepared by different techniques. First, the deposition of molecules on argon...
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Widening of the electroactivity potential range by composite formation – capacitive properties of TiO2/BiVO4/PEDOT:PSS electrodes in contact with an aqueous electrolyte
PublicationComposites based on the titania nanotubes were tested in aqueous electrolyte as a potential electrode material for energy storage devices. The nanotubular morphology of TiO2 was obtained by Ti anodization. TiO2 nanotubes were covered by a thin layer of bismuth vanadate using pulsed laser deposition. The formation of the TiO2/BiVO4 junction leads to enhancement of pseudocapacitance in the cathodic potential range. The third component,...
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Preparation of platinum modified titanium dioxide nanoparticles with the use of laser ablation in water
PublicationWe report on the preparation method of nanocrystalline titanium dioxide modified with platinum by using nanosecond laser ablation in liquid (LAL). Titania in the form of anatase crystals has been prepared in a two-stage process. Initially, irradiation by laser beam of a titanium metal plate fixed in a glass container filled with deionized water was conducted. After that, the ablation process was continued, with the use of a platinum...
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Performance tuning of chitosan-based membranes by protonated 2-Pyrrolidone-5-carboxylic acid-sulfolane DES for effective water/ethanol separation by pervaporation
PublicationToday, the applicability of deep eutectic solvents (DES) in various fields, including membrane science and technology, is extensively investigated. In pioneering works, we have implemented different DES as a component of chitosan (CS)-based flat membranes for pervaporation (PV) separation. Herein, we present a new protonated (by sulphuric acid) 2-Pyrrolidone-5-carboxylic acid: sulfolane DES, as a green additive for its chemical...
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Arsenic-Based Warfare Agents: Production, Use, and Destruction
PublicationSince the beginning of time, civilizations have looked for more creative ways to dominate and defeat their enemies. The rapid development of the chemical industry just before the Second World War started the era of modern chemical weapon production based on poisons, including toxic arsenic compounds. This paper provides a detailed overview of the production, usage and destruction of this dangerous chemical weapon. Milestones include:...
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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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Nano-particle doped hydroxyapatite material evaluation using Spectroscopic Polarization Sensitive Optical Coherence Tomography
PublicationBio-ceramics such as hydroxyapatite (HAp) are widely used materials in medical applications, especially as an interface between implants and living tissues. There are many ways of creating structures from HAp like electrochemical assisted deposition, biomimetic, electrophoresis, pulsed laser deposition or sol-gel processing. Our research is based on analyzing the parameters of the sol-gel method for creating thin layers of HAp....
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A review on computer‐aided chemogenomics and drug repositioning for rational COVID ‐19 drug discovery
PublicationApplication of materials capable of energy harvesting to increase the efficiency and environmental adaptability is sometimes reflected in the ability of discovery of some traces in an environment―either experimentally or computationally―to enlarge practical application window. The emergence of computational methods, particularly computer-aided drug discovery (CADD), provides ample opportunities for the rapid discovery and development...
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Deep eutectic solvents – A new platform in membrane fabrication and membrane-assisted technologies
PublicationDeep eutectic solvents (DESs) are a new class of solvents that can offset some of the primary drawbacks of typical solvents and ionic liquids (ILs). Since DESs fall into the guidelines of “Twelve Principles of Green Chemistry”, their implementation in several types of applications has exponentially increased over the last years. The usage of DESs has been directed to the designing, manufacture and purification of new materials...
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Direct human contact with siloxanes (silicones): safety or risk. Part 1: characteristics of siloxanes (silicones
PublicationSiloxanes are commonly known as silicones. They belong to the organosiliconcompounds and are exclusively obtained by synthesis. Their chemical structuredetermines a range of physicochemical properties which were recognized as unique.Due to the susceptibility to chemical modifications, ability to create short, long orcomplex polymer particles, siloxanes found an application in many areas of human life.
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Gas boiler as a heat source for the domestic micro-CHP
PublicationThis analysis considers a commercially available domestic gas boiler as a heat source for a domestic organic Rankine cycle system. An experimental study was made into the applicability of the gas boiler (De Dietrich with thermal power 25 kW) coupled with the laboratory prototype micro ORC setup. The main aim of the study is to determine the working fluid temperature, attainable heat rates and effciencies of the whole system. Preliminary...
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Investigation of catalytic layers on anode for solid oxide fuel cells operating with synthetic biogas
PublicationIn this paper solid oxide fuel cells operating with dry synthetic biogas have been examined. In order to increase their stability the layers of CuO-CeO2, Cu1.3Mn1.7O4 and Y0.08Sr0.92Ti0.8Fe0.2O3 -δ have been deposited on the Ni-YSZ anode site. These layers should catalyze the internal biogas reforming and prevent the carbon deposition on the anode site. It has been found that CuO-CeO2 and Cu1.3Mn1.7O4 catalysts led to an increase...
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Spatial characterization of H 2: CH 4 dissociation level in microwave ECR plasma source by fibre-optic OES
PublicationSpatially resolved optical emission spectroscopy (SR-OES) was used to investigate microwave activated H2/Ar/CH4 plasma under conditions of the electron cyclotron resonance (ECR). The chemistry and composition of the gas phase were studied using self-designed fibre-optic system with echelle type spectrometer during CVD deposition of polycrystalline diamond. One-dimensional intensity profiles of the main species were collected along...
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The bismuth vanadate thin layers modified by cobalt hexacyanocobaltate as visible-light active photoanodes for photoelectrochemical water oxidation
PublicationBismuth vanadate thin films deposited using the pulsed laser deposition technique were modified using cobalt hexacyanocobaltate (Cohcc). The 2-step method of Cohcc nanocubes preparation was applied: i) metallic cobalt deposition and ii) cobalt electrooxidation in Co(CN)63− containing electrolyte. The presence of CN stretching vibrations was confirmed by Raman spectroscopy. The energy band gap was equal to 2.5 eV and was estimated...
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Excitation of Non-Wave Modes by Sound of Arbitrary Frequency in a Chemically Reacting Gas
PublicationThe nonlinear phenomena in the field of high intensity sound propagating in a gas with a chemical reaction, are considered. A chemical reaction of A → B type is followed by dispersion and attenuation of sound which may be atypical during irreversible thermodynamic processes under some conditions. The first and second order derivatives of heat produced in the chemical reaction evaluated at the equilibrium temperature, density and...
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Effect of small quantities of potassium promoter and steam on the catalytic properties of nickel catalysts in dry/combined methane reforming
PublicationCarbon dioxide and methane are two of the principal greenhouse gases. Reduction of their content in the atmosphere is currently the subject of much worldwide research. Dry and combined reforming of methane are effective methods of CO2 and CH4 utilization and production of synthesis gas (syngas) in chemical technology. Testing of catalysts that provide the desired H2/CO ratio and long operation time is one of the critical aspects...
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Tailoring the optical parameters of optical fiber interferometer with dedicated boron-doped nanocrystalline diamond thin film
PublicationOptical fiber interferometer using nanocrystalline boron-doped diamond film was investigated. The diamond films were deposited on glass plates using a Microwave Plasma-Enhanced Chemical Vapour Deposition (μPE CVD) sys-tem. The growth time was 3h, with boron doping level of 10 000 ppm producing films (B-NCD-10) of thickness ~ 200 nm. The presence of boron atoms in the diamond film is evident in Raman spectrum as peaks at 1212 cm-1...
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Solid State Conductivity of Optimized Polypyrrole Coatings on Iron Obtained from Aqueous Sodium Salicylate Solution Determined by Impedance Spectroscopy
PublicationIn this work the optimization procedure for corrosion resistance, surface analysis and electrical properties of PPy-Fe electrodes have been examined. Polypyrrole (PPy) film was electrochemically synthesized in a one step process from an aqueous solution of sodium salicylate and pyrrole with certain concentrations, different parameters and type of polymerization...
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Storing Matter’technique in SIMS depth profile analysis
PublicationSecondary ion mass spectrometry (SIMS) is a very useful technique for the analysis of layered systems. It is based on the primary ion beam sputtering of solids and mass analysis of the emitted secondary ions. A main limitation of this technique results from the direct quantitative analysis, since the ionization efficiency of a given atom is highly influenced by the neighbouring atoms at the surface. This phenomenon is known as...
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Nanoparticles preparation using microemulsion systems
PublicationMetallic nanoparticles become of current interests because they exhibit unique properties compared with those of metal atoms or bulk metal due to the quantum size effect and their large surface area, which make them attractive for applications in optics, electronics, catalysis biology and medicine. TiO2 has been used for environmental remediation purposes such as in the purification of water and air and also solar-to chemical energy...
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Osteoblast and bacterial cell response on RGD peptide‐functionalized chitosan coatings electrophoretically deposited from different suspensions on Ti13Nb13Zr alloy
PublicationMetallic materials for long-term load-bearing implants still do not provide high antimicrobial activity while maintaining strong compatibility with bone cells. This study aimed to modify the surface of Ti13Nb13Zr alloy by electrophoretic deposition of a chitosan coating with a covalently attached Arg-Gly-Asp (RGD) peptide. The suspensions for coating deposition were prepared in two different ways either using hydroxyacetic acid...
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Niskokoherencyjne czujniki światłowodowe wykorzystujące cienkowarstwowe struktury nanodiamentowe
PublicationZnaczny rozwój technologii wytwarzania czujników światłowodowych spowodował, że są one powszechnie dostępne i stosowane w wielu gałęziach przemysłu, nauki oraz medycyny. Zastosowanie nowych materiałów w konstrukcji takich czujników niesie za sobą duży potencjał. Celem rozprawy jest przedstawienie możliwości wykorzystania cienkowarstwowych struktur nanodiamentowych w niskokoherencyjnych czujnikach światłowodowych, które poprawią...
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Thin CVD diamond films - synthesis, properties, applications
PublicationThe basic model of diamond films growth, in the low pressure synthesis, deposition from the CVD gas phase, is the mixture of hydrocarbon gas in presence with activated hydrogen and its nucleation on the substrate as a result of pyrolysis reaction. It allows to cross the great energetic barrier between graphite and diamond. High pressure and temperature are replaced by change of electronic structure of atoms into gas precursors...
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Snow Cover Studies: a Review on the Intensity of Human Pressure
PublicationSnow cover should be treated as a highly dynamic medium. A variety of physical and chemical processes interact to alter its chemical composition and affect the metamorphism of its individual crystals and layers; this, in turn, has a direct influence on their mutual adhesion, and ultimately on the stability of the entire snow cover. The literature data here reported provide basic information on the forms of solid precipitation,...
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THE PROPERTIES OF NANOSILVER – DOPED NANOHYDROXYAPATITE COATING ON THE Ti13Zr13Nb ALLOY
PublicationThe aim of this research was to study the properties of nanohydroxyapatite (nanoHAp) and nanohydroxyapatite, doped with nanosilver (nanoHAp/nanoAg), coatings obtained by an electrophoretic deposition process. The suspensions was prepared by dispersing 0.1 g of HAp nanopowder for nanoHAp coatings and 0.1 g of nanoHAp and 0.025 g nanoAg for nanoHAp/nanoAg coatings. The deposition was carried out for 1 min at 50 V voltage followed...
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Mono- and bi-metallic plasmonic photocatalysts for degradation of organic compounds under UV and visible light irradiation
PublicationTitania powders were surface modified with gold and/or silver nanoparticles (NPs) by photodeposition method. Gold modified titania exhibited much higher photocatalytic activity during methanol dehydrogenation under UV irradiation than titania modified with monometallic silver and bimetallic Au–Ag NPs. Bimetallic photocatalysts exhibited either enhanced or reduced visible light activity, depending on properties of noble metal NPs,...
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Enhanced visible light-activated gas sensing properties of nanoporous copper oxide thin films
PublicationMetal oxide gas sensors are popular chemoresistive sensors. They are used for numerous tasks, including environmental and safety monitoring. Some gas-sensing materials exhibit photo-induced properties that can be utilized for enhanced gas detection by modifying the sensor selectivity and sensitivity when illuminated by light. Here, we present the gas sensing characteristics of highly nanoporous Cu2O thin films towards both electrophilic...
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Hydrophobic and hydrophilic properties of pollutants as a factor influencing their redistribution during snowpack melt
PublicationGlaciers accumulate organic pollutants delivered by snow. However, our understanding of the exact dynamics of organic pollutants in the snowpack relies primarily on laboratory experiments and mathematical models. To fill the gap related to the detailed field data, we have conducted observations of melting snow profiles in two locations and three different stages of melting on one High Arctic glacier, as well as in superimposed...
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From polymer waste to potential main industrial products: Actual state of recycling and recovering
Publicationlastics have become widely used materials in everyday life due to their special properties such as durability, easy processing, light-weight and low-cost of production. However, because of their stable and non-biodegradable nature, postconsumer plastics become an issue to the environment. The growing amounts of waste are generated, as plastic products are commonly used only once before disposal. The alternatives of practical techniques...
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A chemo-mechano-thermodynamical contact theory for adhesion, friction, and (de)bonding reactions
PublicationThis work presents a self-contained continuum formulation for coupled chemical, mechanical, and thermal contact interactions. The formulation is very general and, hence, admits arbitrary geometry, deformation, and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy, and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the...
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Initial Considerations
PublicationChemical processes have made use of a wide number of volatile organic solvents due to their efficiency in countless unit operations. The increasing knowledge on the environmental, health, and safety hazards associated to their use has significantly contributed to the search for greener alternatives. The primary purpose of this book is to provide an overview of alternative solvents with reduced issues that have successfully replaced...
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Characterization and Technical Application of Fine Photocatalytical Particles - A Study of the Immobilization of Photocatalysts
PublicationThe main aim of this dissertation was the transfer of photocatalytical laboratory scale experiments to semi-technical scale. Preliminary experiments of the purification of organic chlorine-loaded waters and the immobilization of photocatalysts were performed, which yielded the research back to the roots of synthesis. The first applied research was carried out on treatment of recreational water. Several light sources, particularly...
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Two-body dissociation of isoxazole following double photoionization – an experimental PEPIPICO and theoretical DFT and MP2 study
PublicationThe dissociative double photoionization of isoxazole molecules has been investigated experimentally and theoretically. The experiment has been carried out in the 27.5–36 eV photon energy range using vacuum ultraviolet (VUV) synchrotron radiation excitation combined with ion time-of-flight (TOF) spectrometry and photoelectron–photoion–photoion coincidence (PEPIPICO) technique. Five wellresolved two-body dissociation channels have...
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OCENA WŁAŚCIWOŚCI STALI STOSOWANEJ W STARYCH OBIEKTACH KOLEJOWYCH
PublicationThe scope of the paper is to give an introduction to the assessment subject matter of steel properties used in old railway bridges. The mechanical and chemical properties of construction steel extracted from old steel bridges are generally investigated by tensile tests, impact tests through the Charpy pendulum impact V-notch, and an optical emission spectrometer. Besides descriptions of the tests, the chosen chemical and mechanical...
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Pyrolysis of Waste Biomass: Technical and Process Achievements, and Future Development-A Review
PublicationPyrolysis has been applied in the human economy for many years, and it has become a significant alternative to the production of chemical compounds, including biofuels. The article fo-cuses mostly on recent achievements in the technical and processing aspects of pyrolysis. The aim of the review is to present the latest research on the process of waste biomass pyrolysis to fuel production. The paper describes the mechanisms of...
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pH -Tunable equilibria in azocrown ethers with histidine moieties, Bioelectrochemistry
PublicationThe crown ethers with electro- and photoactive azo moieties containing substituents with mobile protons such as in the –COOH groups of histidine, show unique effect of pH switched on/off presence of the azo form. The differences observed for the electrochemical behavior of azocrown ethers with N-acetylhistidine and imidazole moieties reveal the interference of a chemical reduction pathway in strongly acidified solutions. This...
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Arctic Freshwater Environment Altered by the Accumulation of Commonly Determined and Potentially New POPs
PublicationChemical composition of Arctic freshwater ecosystems depends on several factors. They include characteristics of the surrounding landscape, its lithology, geomorphology, vegetation, and hydrological features, as well as accumulation of anthropogenic pollution. In the Arctic, the problem of environmental contamination is widespread. That is why research on lakes and river catch-ments in terms of their chemical composition has enjoyed...
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Photocatalytic activity of zinc oxide nanorods incorporated graphitic carbon nitride catalyst
PublicationBackground Photocatalysts are user-friendly and serve as compatible materials for degrading industrial dye pollutants. This study utilizes zinc oxide/graphitic carbon nitride (ZnO/g-C3N4) nanocomposites against degrading methylene blue (MB). Methods The hydrothermal method assisted sonication technique was used to fabricate the ZnO/g-C3N4 composite with varying ratios of ZnO/g-C3N4 (1:0.25, 1:0.50, 1:1). The synthesized materials...
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The effect of high molecular weight bio-based diamine derivative of dimerized fatty acids obtained from vegetable oils on the structure, morphology and selected properties of poly(ether-urethane-urea)s
PublicationIn this work, the effect of the high molecular weight bio-based diamine on the chemical structure and selected properties of poly(ether-urethane-urea)s has been investigated. The ether-urethane prepolymer was cured using 1,4-butanediol and/or bio-based diamine. Mentioned chain extenders were used separately or in the mixture, and their different molecular weight and chemical structure resulted in obtaining materials with diversified...
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Synthesis, structure and properties of poly(ester-urethane)s obtained using bio-based and petrochemical1,3-propanediol and 1,4-butanediol
PublicationIn this paper, the poly(ester-urethane)s obtained using petrochemical and bio-based chain extenders were prepared and characterized. The influence of glycols’ origin on the chemical structure, mechanical and thermal properties of the prepared polyurethanes was studied. The materials were synthesised by prepolymer method. The first step involved the reaction of α,ω-dihydroxy(ethylene-butylene adipate (POLIOS 55/20) with 4,4’-diphenylmethane...
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Activated Carbon Produced by Pyrolysis of Waste Wood and Straw for PotentialWastewater Adsorption
PublicationPyrolysis of straw pellets and wood strips was performed in a fixed bed reactor. The chars, solid products of thermal degradation, were used as potential materials for activated carbon production. Chemical and physical activation processes were used to compare properties of the products. The chemical activation agent KOH was chosen and the physical activation was conducted with steam and carbon dioxide as oxidising gases. The eect...
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New insights of nanomaterials usage toward superhydrophobic membranes for water desalination via membrane distillation: A review
PublicationMembrane distillation (MD) is a promising technology for seawater desalination due to the ability to process high-salinity waters and the ability to be driven by low-grade or waste heat. However, practical applications of MD membranes are limited by the low vapor flux and fouling problem. Recently, there is a growing interest in developing novel MD membrane materials with enhanced hydrophobicity to improve the efficiency of desalination...
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Elektrochemiczny czujnik na bazie cieczy jonowej do oznaczania par benzaldehydu
PublicationW pracy przedstawiono prototypowy, laboratoryjny, elektrochemiczny czujnik do oznaczania par benzaldehydu w argonie. Cieczą jonową testowaną jako elektrolit i środowisko reakcji redox była: bis(trifluorometylosulfonylo)imidek 1-butylo,3-metyloimidazolinowy ([BMIM][Tf2N]). W pomiarach użyto komercyjnych elektrod firm: DropSens Co. i BVT Technologies. Walidacji poddano dwa parametry metrologiczne czujnika: granicę wykrywalności i...
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Food Bioactive Ingredients Processing Using Membrane Distillation
PublicationSeparation processes are an important part of today’s food industries, especially in the case of specific bioactive components due to their health benefits. In general, processing of bioactive food ingredients assumes the introduction of integrated system directed to their separation, fractionation, and recovery. Recently, membrane distillation (MD) has been considered as an alternative membrane-based separation and concentration...
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Enhanced Photoelectrocatalytical Performance of Inorganic-Inorganic Hybrid Consisting BiVO4, V2O5, and Cobalt Hexacyanocobaltate as a Perspective Photoanode for Water Splitting
PublicationThin layers of BiVO4/V2O5 were prepared on FTO substrates using pulsed laser deposition technique. The method of cobalt hexacyanocobaltate (Cohcc) synthesis on the BiVO4/V2O5 photoanodes consists of cobalt deposition followed by electrochemical oxidation of metallic Co in K3[Co(CN)6] aqueous electrolyte. The modified electrodes were tested as photoanodes for water oxidation under simulated sunlight irradiation. Deposited films...
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Nanoporous TiO2 electrode grown by laser ablation of titanium in air at atmospheric pressure and room temperature
PublicationRecently, fabrication of the nanoporous TiO2 photoelectrode on metal foils by means of sputtering of the Ti film on preheatedmetal substrate followed by the TiO2 deposition (doctor blade technique) and sintering represents the frequently applied technique. This is despite the relatively complicated procedure and number of parameters to be controlled in order to fabricate films of required properties. In this work an approach is...