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Search results for: thermal decomposition
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Enhanced photoelectrochemical and photocatalytic performance of iodine-doped titania nanotube arrays
PublicationThe paper discusses the synthesis and performance of iodine doped titania nanotube arrays exhibited under irradiation. The doping procedure was performed as an additional, electrochemical process carried out after formation of nanotube arrays via anodization of Ti substrate. The optical and structural properties were characterized using Raman, UV-vis, photoluminescence and X-ray photoelectron spectroscopy. The surface morphology...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublicationThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Discriminating macromolecular interactions based on an impedimetric fingerprint supported by multivariate data analysis for rapid and label-free Escherichia coli recognition in human urine
PublicationThis manuscript presents a novel approach to address the challenges of electrode fouling and highly complex electrode nanoarchitecture, which are primary concerns for biosensors operating in real environments. The proposed approach utilizes multiparametric impedance discriminant analysis (MIDA) to obtain a fingerprint of the macromolecular interactions on flat glassy carbon surfaces, achieved through self-organized, drop-cast,...
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3D mesoporous α-Co(OH)2 nanosheets electrodeposited on nickel foam: A new generation of macroscopic cobalt-based hybrid for peroxymonosulfate activation
PublicationCobalt-based catalysts with high stability and facile recovery for heterogeneous peroxymonosulfate (PMS) activation are still rather sparse and therefore highly desirable. Herein, 3D mesoporous α-Co(OH)2 nanosheets was created on robust nickel foam (NF) via facile electrodeposition approach at 6 mA/cm2 for only 400 s. Almost complete removal of phenol can be achieved within 7 min with a degradation rate of 0.39 min−1, 2 times higher...
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The effect of gold shape and size on the properties and visiblelight-induced photoactivity of Au-TiO2
PublicationtIn the present investigation, TiO2modified with a different geometry and size of gold particles, suchas nanospheres (NSPs), nanostars (NSTs) and nanorods (NRs), were prepared by the immobilizationmethod. The effect of the gold shape, size and TiO2matrix type (TiO2microspheres or rutile TIO-6 TiO2)were systematically investigated. The obtained photocatalysts were thoroughly characterized by UV–visdiffuse-reflectance spectroscopy...
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Salt melt synthesis of curved nitrogen-doped carbon nanostructures: ORR kinetics boost
PublicationImplementing metal-free electrocatalysts for the oxygen reduction reaction (ORR) and revealing crucial chemical or topographical parameters driving their activity are vital for the development of power cells. The carbon-based catalysts are very often synthesized through carbonization of biopolymers, in particular, those one containing nitrogen groups such as chitosan. Unfortunately, the resulting carbonaceous materials usually...
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Design-Oriented Two-Stage Surrogate Modeling of Miniaturized Microstrip Circuits with Dimensionality Reduction
PublicationContemporary microwave design heavily relies on full-wave electromagnetic (EM) simulation tools. This is especially the case for miniaturized devices where EM cross-coupling effects cannot be adequately accounted for using equivalent network models. Unfortunately, EM analysis incurs considerable computational expenses, which becomes a bottleneck whenever multiple evaluations are required. Common simulation-based design tasks include...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublicationThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Assessment of diversity and composition of bacterial community in Sludge Treatment Reed Bed systems
PublicationDue to their low emission of odours and lack of the need to apply additional chemical agents, sludge treatment reed beds (STRBs) constitute an economically feasible and eco-friendly approach to sewage sludge management. Correctly designed and operated STRBs ensure effective reduction of the dry matter content coupled with the mineralisation of organic compounds. Successful operation of STRBs relies on complex interactions between...
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On time-dependent nonlinear dynamic response of micro-elastic solids
PublicationA new approach to the mechanical response of micro-mechanic problems is presented using the modified couple stress theory. This model captured micro-turns due to micro-particles' rotations which could be essential for microstructural materials and/or at small scales. In a micro media based on the small rotations, sub-particles can also turn except the whole domain rotation. However, this framework is competent for a static medium....
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Laser-textured cross-hatched surface topography analysis with evaluation of high-frequency measurement noise
PublicationThe precision of surface roughness determination using ISO 25178 parameters relies on various factors that directly impact the measurement process. In industry applications, the contactless roughness measurement reduces data collection time. However, it introduces several potential errors, including those stemming from the environment. One of the main types of errors encountered during topography analysis is measurement noise,...
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A modern solid waste management strategy – the generation of new by-products
PublicationTo benefit the environment and society, EU legislation has introduced a ‘zero waste’ strategy, in which waste material should be converted to resources. Such legislation is supported by the solid waste hierarchy concept, which is a set of priorities in waste management. Under this concept, municipal solid waste plants (MSWPs) should be equipped with sorting and recycling facilities, composting/incineration units and landfill prisms...
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On the mechanism of photocatalytic reactions on CuxO@TiO2 core–shell photocatalysts
PublicationTitania (titanium(IV) oxide) is a highly active, stable, cheap and abundant photocatalyst, and is thus commonly applied in various environmental applications. However, two main shortcomings of titania, i.e., charge carrier recombination and inactivity under visible-light (vis) irradiation, should be overcome for widespread commercialization. Accordingly, titania has been doped, surface modified and coupled with various ions/compounds,...
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Enhanced Visible Light Active WO3 Thin Films Toward Air Purification: Effect of the Synthesis Conditions
PublicationTaking into consideration, our current environmental situation in the world people should face with growing problem of air and water pollution. Heterogeneous photocatalysis is highly promising tool to improve both, air and water quality through decomposition/mineralization of contaminations directly into harmless CO2 and H2O under ambient conditions. In this contribution we focused on the synthesis of self-assembly WO3 thin films...
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Molecular level interpretation of excess infrared spectroscopy
PublicationInfrared (IR) spectroscopy is an invaluable tool in studying intermolecular interactions in solvent mixtures. The deviation of the IR spectrum of a mixture from the spectra of its pure components is a sensitive measure of the non-ideality of solutions and the modulation of intermolecular interactions introduced by mutual influence of the components. Excess IR spectroscopy, based on the established notion of excess thermodynamic...
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Effects of beach wrack on the fate of mercury at the land-sea interface – A preliminary study
PublicationSince the 1970s, the amount of aquatic plants and algae debris, called beach wrack (BW), has increased along the shores of industrialised regions. The strong ability of primary producers to accumulate pollutants can potentially result in their deposition on the beach along with the BW. Despite that, the fate and impact of such pollutants on sandy beach ecosystems have not been investigated so far. This study examines the fate...
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A new procedure for the determination of distillation temperature distribution of high-boiling petroleum products and fractions
PublicationThe distribution of distillation temperatures of liquid and semi-fluid products, including petroleum fractions and products, is an important process and practical parameter. It provides information on properties of crude oil and content of particular fractions, classified on the basis of their boiling points, as well as the optimum conditions of atmospheric or vacuum distillation. At present, the distribution of distillation temperatures...
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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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TiO2 /SrTiO3 and SrTiO3 microspheres decorated with Rh, Ru or Pt nanoparticles: Highly UV–vis responsible photoactivity and mechanism
PublicationA series of TiO2/SrTiO3 and SrTiO3 microspheres decorated by Rh, Ru or Pt NPs were prepared by facile hydrothermal method. The as-prepared samples were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) with energy-dispersive Xray (EDX) spectroscopy, scanning electron microscopy (SEM), photoluminescence spectrometry (PL), Fourier transform infrared (FT-IR) and...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublicationThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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PREPARATION AND CHARACTERIZATION OF CoFe2O4/TiO2-PANI HYBRID NANOCOMPOSITE WITH MAGNETIC AND PHOYOCATALYTIC ACTIVITY
PublicationHybrid nanocomposites consisting of inorganic component and organic conducting polymer are promising materials, which can be applied in heterogeneous photocatalysis. Titanium(IV) oxide is widely used photocatalysts due to its non-toxicity, low cost and chemical stability. The main disadvantage of TiO2 is low photocatalytic activity under visible light. Conducting polymers, also known as conjugated polymers are polymer materials...
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Numerical Issues and Approximated Models for the Diagnosis of Transmission Pipelines
PublicationThe chapter concerns numerical issues encountered when the pipeline flow process is modeled as a discrete-time state-space model. In particular, issues related to computational complexity and computability are discussed, i.e., simulation feasibility which is connected to the notions of singularity and stability of the model. These properties are critical if a diagnostic system is based on a discrete mathematical model of the flow...
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Effects of La0.8Sr0.2MnO3 and Ag electrodes on bismuth-oxide-based low-temperature solid electrolyte oxygen generators
PublicationIn this study, La0.8Sr0.2MnO3 (LSM) was used as the ceramic electrode in a (Bi1.50Y0.50)0.98Zr0.04O3+δ (BYO)-based solid electrolyte oxygen generator (SEOG) and its performance was compared with that of a previously studied high-fire Ag electrode. Among La0.6Sr0.4Co0.2Fe0.8O3, LaNi0.6Fe0.4O3, Cu1.4Mn1.6O4, and LSM materials, only LSM materials did not trigger any chemical reaction or interdiffusion with BYO at temperatures up to...
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Chemical Derivatization Processes Applied to Amine Determination in Samples of Different Matrix Composition
PublicationAmines are important biological compounds, and so their analysis and monitoring in various matrices is worthy of investigation and development.Due to the polar nature of amines, chromatographic analysis of free amines is generally unsatisfactory owing to adsorption and decomposition of the solute on the column, resulting in peak tailing and losses. Therefore, many derivatization reactions are employed to reduce the polarity, improve...
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Study of Multi-Class Classification Algorithms’ Performance on Highly Imbalanced Network Intrusion Datasets
PublicationThis paper is devoted to the problem of class imbalance in machine learning, focusing on the intrusion detection of rare classes in computer networks. The problem of class imbalance occurs when one class heavily outnumbers examples from the other classes. In this paper, we are particularly interested in classifiers, as pattern recognition and anomaly detection could be solved as a classification problem. As still a major part of...
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Monometallic nanoparticles decorated and rare earth ions doped KTaO3/K2Ta2O6 photocatalysts with enhanced pollutant decomposition and improved H2 generation
PublicationNew, monometallic nanoparticles (MNPs) decorated surface and rare earth (RE) ions doped lattice of perovskite-type (KTaO3)/pyrochlore-type (K2Ta2O6) photocatalysts were successfully prepared by facile hydrothermal incorporation of RE ions into KTaO3/K2Ta2O6 lattices followed by photodeposition of MNPs. The impact of noble metal type (MNPs = Au, Pt, Rh) and rare earth dopant type (RE = Er, Pr) on the physicochemical properties correlated...
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Rare earth ions doped K 2 Ta 2 O 6 photocatalysts with enhanced UV–vis light activity
PublicationNew rare earth-doped K2Ta2O6 photocatalysts were successfully synthesized by hydrothermal method. The effect of dopant type (Y,Yb,Ho,Pr,Er) and amount of rare earth precursor (2,4,8 and 10 mol%) on the physicochemical and photocatalytic properties of RE-K2Ta2O6 have been investigated. All as-prepared materials were characterized by UV–vis diffuse reflectance spectroscopy, Brunauer-Emmett-Teller specific surface area measurement,...
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A geophysical, geochemical and microbiological study of a newly discovered pockmark with active gas seepage and submarine groundwater discharge (MET1-BH, central Gulf of Gdańsk, southern Baltic Sea)
PublicationHigh-resolution bathymetric data were collected with a multi-beam echosounder in the southern part of the Baltic Sea (region MET1, Gulf of Gdańsk) revealing the presence of a 10 m deep and 50 m in diameter pockmark (MET1-BH) on the sea bottom (78.7 m). To date, no such structures have been observed to reach this size in the Baltic Sea. The salinity of the near-bottom water in the pockmark was about 2 PSU (about 31.22 mmol/l...
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Standard gas mixtures- indispensable reference materials in the analysis of gaseous media
PublicationIn recent years the need for the quality control and assurance of analytical measurement results has been particularly strongly emphasised. Certified reference materials play an invaluable role in this process. The article characterises the basic types of reference materials, focusing in particular on those in the gaseous state. It also reviews the literature on the techniques of preparing standard gas mixtures over the last ten...
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Non-matrix reference matrials- chalanges in the preparation of standard gas mixtures
PublicationIn the last few years particularly great pressure is exerted on quality control and assurance of analytical measurement results. An invaluable role in this process is played by reference materials. The paper presents the characteristics of basic types of reference materials, with particular attention to gaseous reference materials. In addition, a review of literature on techniques of preparation of gaseous standard materials, published...