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Wyniki wyszukiwania dla: HYDROGEN-BASED DIRECT REDUCTION
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An Agent-Based Simulated Annealing Algorithm for Data Reduction
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Agent-Based Data Reduction Using Ensemble Technique
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Bi-criteria Data Reduction for Instance-Based Classification
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Stacking-Based Integrated Machine Learning with Data Reduction
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Optimization of Hydrogen - Evolving Photochemical Molecular Devices
PublikacjaA molecular photocatalyst consisting of a RuII photocenter, a tetrapyridophenazine bridging ligand, and a PtX2 (X=Cl or I) moiety as the catalytic center functions as a stable system for light-driven hydrogen production. The catalytic activity of this photochemical molecular device (PMD) is significantly enhanced by exchanging the terminal chlorides at the Pt center for iodide ligands. Ultrafast transient absorption spectroscopy...
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Techno-economic assessment of cooperation of hybrid renewable energy sources with hydrogen storage
PublikacjaThe paper presents a technical and economic analysis of the power supply for a model industrial facility with the use of the most promising renewable energy sources (RES), supported by a hydrogen energy storage. This scenario was compared with the variants of supplying the facility directly from the grid and from RES without energy storage. A strategy was proposed for powering the plant aimed at maximising self-consumption of self-generated...
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Correlation between structural and electrical properties in highly porous (Y,Sr)(Ti,Nb)O3-delta SOFC anodes
PublikacjaIn order to find a relationship between structural and electrical properties, niobium and yttrium doped SrTiO3 ceramics were prepared via solid-state reaction. The samples were sintered in hydrogen and air conditions. The samples were also fabricated with a pore-former to obtain highly porous specimens. The electrical properties of Nb-doped SrTiO3 samples and yttrium and niobium co-doped SrTiO3 were compared. The comparable electrical...
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Dual functionality of amphiphilic 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids: surfactants with catalytic function
PublikacjaA series of amphiphilic 1-alkyl-3-methylimidazolium hydrogen sulfate ionic liquids were synthesized. Acidic hydrogen sulfate ionic liquids with the alkyl chains C6–C14 are characterized by good surface properties. Their surface properties (adsorption and micellization parameters, degree of ionization of micelles, Krafft temperatures and thermodynamic parameters) were determined. Synthesized ionic liquids were applied as a co-catalyst...
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Thermal Instability of Choline Chloride-Based Deep Eutectic Solvents and Its Influence on Their Toxicity─Important Limitations of DESs as Sustainable Materials
PublikacjaDeep eutectic solvents (DESs) have become a hot topic in many branches of science due to their remarkable properties. They have been studied in a wide variety of applications. In particular, choline chloride (ChCl)-based DESs are one of the most commonly used representatives of these fluids. Nevertheless, in order to apply DESs in some fields, it is essential to guarantee their stability, reusability, and biocompatibility. In this...
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Wastewater treatment by means of advanced oxidation processes based on cavitation – A review
PublikacjaHydrodynamic and acoustic cavitation combined with advanced oxidation processes (AOPs), including, among others, the Fenton process, is a promising alternative to the technologies of wastewater treatment technologies in use today. The present review discusses processes based on cavitation combined with AOPs and evaluates their effectiveness in oxidation of organic contaminants. Complete degradation of, among others, p-nitrotoluene,...
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Time-domain measurement methods for R, L and C sensors based on aversatile direct sensor-to-microcontroller interface circuit
PublikacjatIn the paper new time-domain measurement methods for determining values of resistive (R), inductive(L) and capacitive (C) sensors based on a versatile direct sensor-to-microcontroller interface for microcon-trollers with internal analog-to-digital converters (ADCs) and analog comparators (ACs) are presented.The interface circuit consists of a reference resistor Rrworking as a voltage divider, a given R, L or C sensorand a microcontroller...
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Urchin-like TiO2 structures decorated with lanthanide-doped Bi2S3 quantum dots to boost hydrogen photogeneration performance
PublikacjaThe formation of heterojunctions between wide- and narrow-bandgap photocatalysts is commonly employed to boost the efficiency of photocatalytic hydrogen generation. Herein, the photoactivity of urchin-like rutile particles is increased by decorating with pristine as well as Er- or Yb-doped Bi2S3 quantum dots (QDs) at varied QD loadings (1–20 wt%) and doping degrees (1–15 mol%), and the best hydrogen evolution performance is achieved at...
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Sulfate‐reducing bacteria‐assisted hydrogen‐induced stress cracking of 2205 duplex stainless steels
PublikacjaThe paper presents the results of a laboratory investigation of the microbiologically assisted hydrogen‐induced stress cracking (HISC) of 2,205 duplex stainless steel (DSS). The testing of susceptibility toward HISC was performed with two different methods. Precharged in sulfate‐reducing bacteria (SRB), inoculated medium samples were subjected to slow strain‐rate testing in artificial seawater. In situ constant load tests were...
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Shape-controllable synthesis of GdVO4 photocatalysts and their tunable properties in photocatalytic hydrogen generation
PublikacjaNovel visible light responsive materials for water splitting are essential for the efficient conversion of solar energy into hydrogen bond energy. Among other semiconductors, gadolinium orthovanadate has appropriate conduction and valence band edges positioned to split water molecules and a narrow band gap that allows the use of visible light for hydrogen generation. Thus, we present here that hydrogen evolution under visible light...
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Alternative methods for dark fermentation course analysis
PublikacjaDark fermentation course analysis is crucial, as complexed matrix of gaseous components may be formed and revealed during the process. The paper considers key issues related to the microbiological process in which complex organic substances are transformed into hydrogen. For the purposes of hydrogen generation, the application of wastewater mixed sludge pre-treated according to Faloye method (Faloye et al. in Int J Hydrog Energy...
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Thermophysical study of the binary mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide – Experimental and theoretical approach
PublikacjaDensities at (293.15, 298.15, 303.15 and 308.15) K, and viscosities and ultrasonic velocities at 298.15 K of binary liquid mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide have been measured over the entire range of composition at p = 0.1 MPa. From the experimental data, values of excess molar volume, excess isentropic compressibility, viscosity deviation and excess Gibbs energy...
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Tuning the work function of graphite nanoparticles via edge termination
PublikacjaGraphite nanoparticles are important in energy materials applications such as lithium-ion batteries (LIBs), supercapacitors and as catalyst supports. Tuning the work function of the nanoparticles allows local control of lithiation behaviour in LIBs, and the potential of zero charge of electrocatalysts and supercapacitors. Using large scale density functional theory (DFT) calculations, we find that the surface termination of multilayer...
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The role of aluminium in metal–organic frameworks derived carbon doped with cobalt in electrocatalytic oxygen evolution reaction
PublikacjaWater 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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Effect of shielded electrode wet welding conditions on diffusible hydrogen content in deposited metal
PublikacjaWet welding is the most popular method of joining in water enviroment. During underwater welding, the weldability of steel is limited by the higher cooling rates and hydrogen content in weld metal. Article presents results of preliminary tests on the effects of wet welding conditions on diffusible hydrogen amount. Seven parameters were optimized using a Plackett-Burman plan to get the most relevant variables. These parameters were:...
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THEORETICAL POTENTIAL OF HYDROGEN PRODUCTION FROM TEXTILES WASTES IN POMERANIAN REGION BY MEANS OF DARK FERMENTATION
PublikacjaModel has been developed for calculating theoretical mass of hydrogen produced from textile wastes by mean of dark fermentation. As vegetable fibres wastes were chosen two mostly used — cotton and linen (flax). As the synthethic carbohydrate rich fiber was chosen viscose. In the background there were introduced: problems of dark fermentation, characteristics of textile material structure. Additionally pathways of the process...
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Preparation and X-ray structures of selected aminium thiosulfates
PublikacjaVarious types of aminium thiosulfates (1–6), including hydrates and mixed salts, have been obtained by the reaction of ammonium thiosulfate with amines. Tertbutylamine, cyclo-hexylamine and 1,6-diaminohexane gave crystals of (t-BuNH3)2S2O3·H2O (1), (c-C6H11NH3)2S2O3 (3) and {(NH4)2(H3NC6H12NH3)(S2O3)2} (6), respectively, which were investigated by X-ray structural analysis. Extensive hydrogen bonding of the N-H…O and N-H…S type...
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AlP compound and P-doping for promotion of electrocatalytic activity of N-doped carbon derived from metal-organic framework
PublikacjaWater splitting plays a key role in future fuels, where two processes occur - the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER). Nitrogen-doped carbon derived from...
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Effect of Nanohydroxyapatite on Silk Fibroin–Chitosan Interactions—Molecular Dynamics Study
PublikacjaFibroin–chitosan composites, especially those containing nanohydroxyapatite, show potential for bone tissue regeneration. The physicochemical properties of these biocomposites depend on the compatibility between their components. In this study, the intermolecular interactions of fibroin and chitosan were analyzed using a molecular dynamics approach. Two types of systems were investigated: one containing acetic acid and the other...
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Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublikacjaInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
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Corrosion and Cavitation Resistances of Low Alloy Steel After Frictional-Mechanical Treatment
PublikacjaPaper presents the results of the studies of wear, corrosion and cavitation resistances of the S355J2 low alloy medium carbon steel subjected to surface modification by friction-mechanical treatment, as tested in sea water simulated solution. To evaluate the effect of the surface treatment, the comparative studies of the corrosive properties of the steel before and after treatment have been considered. The treatment due to a severe...
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublikacjaThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
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Why is the cubic structure preferred in newly formed ice?
PublikacjaMolecular dynamics was employed to explain the preference for the cubic structure in newly formed crystals of ice. The results showed that in supercooled liquid water the molecules connected by hydrogen bonds are more likely to adopt relative orientations similar to the ones characteristic for cubic ice. The observed preference for certain relative orientations of molecules in the hydrogen-bonded pairs results in the higher probability...
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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
PublikacjaA new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard...
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Assessment and design of greener deep eutectic solvents – A multicriteria decision analysis
PublikacjaDeep eutectic solvents (DES) are often considered as green solvents because of their properties, such as negligible vapor pressure, biodegradability, low toxicity or natural origin of their components. Due to the fact that DES are cheaper than ionic liquids, they have gained many applications in a short period of time. However, claims about their greenness sometimes seem to be exaggerated. Especially, bearing in mind lots of data...
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Controlling crystallites orientation and facet exposure for enhanced electrochemical properties of polycrystalline MoO3 films
PublikacjaThis study focuses on the development and optimization of MoO3 films on commercially available FTO substrates using the pulsed laser deposition (PLD) technique. By carefully selecting deposition conditions and implementing post-treatment procedures, precise control over crystallite orientation relative to the substrate is achieved. Deposition at 450 °C in O2 atmosphere results in random crystallite arrangement, while introducing...
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Silica Gel Impregnated by Deep Eutectic Solvents for Adsorptive Removal of BTEX from Gas Streams
PublikacjaThe paper presents the preparation of new adsorbents based on silica gel (SiO2) impregnated with deep eutectic solvents (DESs) to increase benzene, toluene, ethylbenzene, and p-xylene (BTEX) adsorption efficiency from gas streams. The DESs were synthesized by means of choline chloride, tetrapropylammonium bromide, levulinic acid, lactic acid, and phenol. The physico-chemical properties of new sorbent materials, including surface...
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Water Behavior Near the Lipid Bilayer
PublikacjaIn this chapter, we focus on the dynamics of water molecules situated in the vicinity of a phospholipid bilayer. Using a molecular dynamics simulation method, we studied interactions between water and the bilayer and tracked trajectories of the water molecules. Based on the hypothesis that molecules trapped inside the bilayer make different motions than the ones which are either attached to the surface or move freely in the water...
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Tuning of food wastes bioavailability as feedstock for bio-conversion processes by acoustic cavitation and SPC, SPS, or H2O2 as external oxidants
PublikacjaThe growing amount of food wastes makes them a suitable source for the generation of bioproducts through anaerobic digestion. Appropriate hydrolysis of the feedstock can enhance the efficiency of production of desired products. In this work, acoustic cavitation (AC) was employed as a pretreatment method to enhance hydrolysis stage by the modification of model (potato-based) food waste for increase in soluble chemical oxygen demand...
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Study on surface termination of boron-doped diamond electrodes under anodic polarization in H2SO4 by means of dynamic impedance technique
PublikacjaAnodic oxidation is a popular way to modify termination bonds at boron doped diamond electrodes altering their electrochemical and physicochemical properties. Our studies, performed with dynamic electrochemical impedance spectroscopy technique, supported with X-ray photoelectron spectroscopy and ellipsometry analysis prove its utility in continuous on-line monitoring of impedance changes on the electrode surface under polarization...
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The relationship between standard reduction potentials of catechins and biological activities involved in redox control
PublikacjaRedox homeostasis involves factors that ensure proper function of cells. The excess reactive oxygen species (ROS) leads to oxidative stress and increased risk of oxidative damage to cellular components. In contrast, upon reductive stress, insufficient ROS abundance may result in faulty cell signalling. It may be expected that dietary antioxidants, depending on their standard reduction potentials (E°), will affect both scenarios....
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Effect of the welding environment and storage time of electrodes on the diffusible hydrogen content in deposited metal
PublikacjaIn the study the glycerin displacement method was used for determination of diffusible hydrogen content in deposited metal. Specimens were welded in the air and in the water with covered rutile electrodes. The first part of the specimens was made immediately after opening the package of the electrodes. The electrodes were then stored in opened packages in laboratory conditions that allowed for contact with the air for three years....
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New Carvone-Based Deep Eutectic Solvents for Siloxanes Capture from Biogas
PublikacjaDuring biogas combustion, siloxanes form deposits of SiO2 on engine components, thus shortening the lifespan of the installation. Therefore, the development of new methods for the purification of biogas is receiving increasing attention. One of the most effective methods is physical absorption with the use of appropriate solvents. According to the principles of green engineering, solvents should be biodegradable, non-toxic, and...
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Deep eutectic solvent-based shaking-assisted extraction for determination of bioactive compounds from Norway spruce roots
PublikacjaPolyphenolic compounds play an essential role in plant growth, reproduction, and defense mechanisms against pathogens and environmental stresses. Extracting these compounds is the initial step in assessing phytochemical changes, where the choice of extraction method significantly influences the extracted analytes. However, due to environmental factors, analyzing numerous samples is necessary for statistically significant results,...
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High Temperature Corrosion Evaluation of Porous Hastelloy X Alloy in Air and Humidified Hydrogen Atmospheres
PublikacjaIn this work a commercially available porous Hastelloy X alloy is characterized in terms of high temperature corrosion resistance. The alloy was oxidized in the temperature range from 500C to 900C in air and humidified hydrogen for 100 hours. Corrosion rates and porosity changes were measured. Microstructural characterization was performed using X-ray diffractometry and scanning electron microscopy. Results show that porous alloys...
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M-BDC (M = Co and/ or Fe) MOFs as effective catalysts for hydrogen generation via hydrolysis of sodium borohydride
PublikacjaMono- (Co-BDC, Fe-BDC) and bimetallic FeCo-BDC Metal-Organic Frameworks are successfully synthesized by the solvothermal method in DMF at 150 °C within 15 h and tested as catalysts for sodium borohydride hydrolysis. The materials are characterized by FTIR, PXRD, TGA, ICP-OES, H2-TPR, BET model, and SEM-EDS. The catalytic activity of these materials is studied for dehydrogenation of sodium borohydride in water at various temperatures...
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Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences
PublikacjaCooperation of aryl⋯perfluoroaryl stacking interactions and hydrogen bonds was utilized in the construction of six novel cocrystals of aromatic cis-amides with pentafluorobenzoic acid (pfba) and pentafluorophenol (pfp). They were obtained by crystallization from solution and structurally characterized. In four instances, the components form heterotetrameric motifs, in which amide:amide homodimer interacts symmetrically on two sides...
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1,3-Di-<i>n</i>-butylthiourea
PublikacjaIn the title compound, C9H20N2S, the n-butyl groups are in syn and anti positions in relation to the C=S bond. In the crystal, two molecules are connected by two N-H···S=C hydrogen bonds into a centrosymmetric dimer. Another N-H···S=C hydrogen bond links the dimers, forming layers with a hydrophilic interior and a hydrophobic exterior, which spread across the (100) plane. Interlacing of the...
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Effect of underwater local cavity welding method conditions on diffusible hydrogen content in deposited metal
PublikacjaOne of the methods with great potential for applications in underwater repairs is local cavity welding. In local cavity method, cooling conditions and diffusible hydrogen amount in weld metal are nearly the same as those existed during welding in the air. This paper presents the results of literature survey and preliminary tests of the effect of local cavity welding conditions on diffusible hydrogen amount in a deposited metal....
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Interspecies distances between propionic acid degraders and methanogens in syntrophic consortia for optimal hydrogen transfer
PublikacjaA mixed culture from an anaerobic biowaste digester was enriched on propionate and used to investigate interspecies hydrogen transfer in dependence of spatial distances between propionate degraders and methanogens. From 20.3 mM propionate, 20.8 mM acetate and 15.5 mM methane were formed. Maximum specific propionate oxidation and methane formation rates were 49 and 23 mmol mg−1day−1, respectively. Propionate oxidation was inhibited by...
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Low-cost data-driven modelling of microwave components using domain confinement and PCA-based dimensionality reduction
PublikacjaFast data-driven surrogate models can be employed as replacements of computationally demanding full-wave electromagnetic simulations to facilitate the microwave design procedures. Unfortunately, practical application of surrogate modelling is often hindered by the curse of dimensionality and/or considerable nonlinearity of the component characteristics. This paper proposes a simple yet reliable approach to cost-efficient modelling...
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Stacking and rotation-based technique for machine learning classification with data reduction
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Key issues in modeling and optimization of lignocellulosic biomass fermentative conversion to gaseous biofuels
PublikacjaThe industrial-scale production of lignocellulosic-based biofuels from biomass is expected to benefit society and the environment. The main pathways of residues processing include advanced hydrolysis and fermentation, pyrolysis, gasification, chemical synthesis and biological processes. The products of such treatment are second generation biofuels. The degree of fermentation of organic substances depends primarily on their composition...
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Investigation of Thermoplastic Polyurethanes Synthesized via Two Different Prepolymers
PublikacjaThe man aim of this work was to investigate the effect of the molecular weight of polyols, mixture of prepolymers, and [NCO]/[OH] molar ratio used during the prepolymer chain extending step on the chemical structure, thermomechanical and mechanical properties, and thermal stability of thermoplastic poly(ether-urethane)s In this work thermoplastic poly(ether-urethane)s were synthesized by using polyols with a various molecular weight,...
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Application of H2O2 to optimize ammonium removal from domestic wastewater
PublikacjaThe paper presents the results of application of hydrogen peroxide (H2O2) for the optimization of the effects of ammonia nitrogen removal from domestic wastewater. The investigations were carried out at a model wastewater treatment plant consisting of a preliminary sedimentation tank and a sand filter with a horizontal flow of wastewater at a constant hydraulic load of 1.44 L/day. The efficiency of ammonia nitrogen removal was...
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublikacjaThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...