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Search results for: HARTREE-FOCK EXCHANGE
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Enhancement of the Magnetic Coupling in Exfoliated CrCl 3 Crystals Observed by Low‐Temperature Magnetic Force Microscopy and X‐ray Magnetic Circular Dichroism
PublicationMagnetic crystals formed by 2D layers interacting by weak van der Waals forces are currently a hot research topic. When these crystals are thinned to nanometric size, they can manifest strikingly different magnetic behavior compared to the bulk form. This can be the result of, for example, quantum electronic confinement effects, the presence of defects, or pinning of the crystallographic structure in metastable phases induced by...
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Smart Services for Improving eCommerce
PublicationThe level of customer support provided by the existing eCom-merce solutions assumes that the person using the functionality of theshop has sufficient knowledge to decide on the purchase transaction. Alow conversion rate indicates that customers are more likely to seekknowledge about the particular product than finalize the transaction.This is facilitated by the continuous development of customers’ digi-tal...
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Modelling of heat transfer in supercritical pressure recuperators
PublicationIn the paper presented is analysis of convective flow heat transfer at supercritical pressure in channels of heat exchanger working in the thermodynamic cycle. The modelling is based on the division of the flow into three regions, namely the heavy fluid, a two phase flow consisting of the heavy and light fluids and finally the light fluid flow. Modelling is concentrated on the region of simultaneous flow of two fluids divided into...
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Hydrodynamic Model of the New Waterway through the Vistula Spit
PublicationThe decision to build a new waterway (strait) in the Polish part of the Vistula Spit was made in 2017. The new connection between the Gulf of Gdańsk and the Vistula Lagoon is planned as an artificial navigable channel with a lock and a small port. During storm surges and wind tides in the gulf or in the lagoon, sluicing will be re-quired for vessels to tackle the Vistula Spit. This procedure does not require significant water flow...
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Improving the regulation of the derivatives market as an objective prerequisite for sustainable development of the global financial system
PublicationThe development of financial markets is characterized by the emergence of new financial instruments, in particular derivatives, the risk level analysis of which is complicated. Counterparties are not always fully aware of and do not adequately assess the potential risks of derivatives, which may lead to large financial losses and sometimes bankruptcies. The purpose of the study is to generalize approaches to regulating derivative...
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Determination of cyanide in urine and saliva samples by ion chromatography with pulsed amperometric detection
PublicationCommonly known as a highly toxic chemical, cyanide is also an essential reagent for many industrial processes. It naturally occurs in plant seeds as a cyanogenic glycosides. Another relatively common mode of cyanide exposure is inhalation of environmental tobacco smoke. This study concerns importance to determine cyanide ion in human biological samples. Urine and saliva samples were collected healthy volunteers exposed to tobacco...
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublicationThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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Structure and paramagnetism in weakly correlated Y8Co5
PublicationWe report the basic physical properties of monoclinic Y8Co5 determined by means of magnetic susceptibility, electrical resistivity, and specific heat measurements. The crystal structure of Y8Co5 is monoclinic (P21/c) with lattice parameters a = 7.0582(6) Å, b = 7.2894(6) Å, c = 24.2234(19) Å, and β = 102.112(6)° as refined by using synchrotron powder x-ray diffraction data. The compound shows temperature independent paramagnetism...
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Bio-inspired Decisional DNA in Machinas and other Man-made Systems: The Way Forward
PublicationArtificial bio-inspired intelligent techniques and systems supporting smart, knowledge-based solutions of real world problems which are currently researched very extensively by research teams around the world, have enormous potential to enhance automation of decision making and problem solving for a number of diverse areas including design, manufacturing, Information Technology (IT), social communities of practice, and economics...
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Applicability of arrays of microjets heat transfer correlations to design compact heat exchangers
PublicationThe article presents experimental studies on a compact heat exchanger with heat transfer intensification by means of impinging microjets. The pursuit to provide high performance of heat exchangers is a response to the demand both in economics and in the universal tendency to miniaturization of industrial equipment. This paper presents the design and tests of a prototype, microjet heat exchanger. The modular design of the heat exchanger...
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Determination of Selected Organic Acids in Animal Farm Water Samples by Ion Chromatography
PublicationLow molecular mass carboxylic acids (LCAs) occur in many environmental compartments due to natural processes and human activity. They are an important group of organic pollutants of waste water that mainly includes, volatile fatty acids, and also dicarboxylic, aromatic, hydroxy- and ketoacids. LCAs are present in the environment at concentrations between 1 to 5000 ppm and different methods have been reported for their determination...
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Impact of strontium non-stoichiometry of SrxTi0.3Fe0.7O3-δ on structural, electrical, and electrochemical properties for potential oxygen electrode of intermediate temperature solid oxide cells
PublicationThis work presents the results of a comprehensive study on the impact of the A-site non-stoichiometry of SrxTi0.3Fe0.7O3-δ (x = 0.90, 0.95, 1.00, 1.05) ceramics on their physicochemical properties. The materials were fabricated by the conventional solid-state reaction method and their structure was determined by X-ray diffractometry, X-ray photoelectron spectroscopy and electron microscopy. Their sintering and thermal expansion...
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Thermal-Hydraulic Studies on the Shell-and-Tube Heat Exchanger with Minijets
PublicationIn this paper a patented design of a heat exchanger with minijets, with a cylindrical construction is presented. It is followed by the results of its systematic experimental investigations in the single-phase convection heat transfer mode. Based on these results, validation of selected correlations (coming from the literature) describing the Nusselt number was carried out. An assessment of the heat exchange intensification level...
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Intraday price reaction to filing bankruptcy and restructuring proceedings – the evidence from Poland
PublicationThis chapter presents the results of research on the price reaction of shares listed on the Warsaw Stock Exchange to filing bankruptcy and/or restructuring applications. Event study was adopted as the research method, and it was performed at 10, 5, and 1-minute intervals. It was found that the reaction is rapid, as it takes 1–2 minutes after the information on bankruptcy and restructuring applications was made public. Significantly...
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Koncepcja platformy wymiany informacji o incydentach cyberbezpieczeństwa dla krajowego systemu elektroenergetycznego
PublicationArtykuł opisuje wybrane zagadnienia związane z cyberbezpieczeństwem w sektorze elektroenergetyki. Jednym z elementów zapewniania bezpieczeństwa sieci elektro-energetycznej jest efektywna wymiana informacji o incydentach bezpieczeństwa. W jej ramach wszystkie zaangażowane podmioty systemu elektroenergetycznego, tj.: elektrownie, operatorzy systemów przesyłowych, operatorzy systemów dystrybucyjnych, dostawcy rozwiązań bezpieczeństwa,...
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CHARAKTERYSTYKA WYMIANY CIEPŁA I OPORÓW PRZEPŁYWU OMYWANIA MIKROSTRUGAMI ROZWINIĘTEJ POWIERZCHNI
PublicationW artykule przedstawiono eksperymentalne badania kompaktowego wymiennika ciepła z intensyfikacją przejmowania ciepła przy użyciu mikrostrug. Niniejszy artykuł przedstawia projekt i testy prototypu, wymiennika ciepła typu mikrostrugowego. Modułowa konstrukcja wymiennika umożliwia zmianę wymiarów geometrycznych, a także zmianę materiału przegrody wymiennika ciepła. Metoda graficzna Wilsona została z zastosowana w celu określenia...
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Justyna Szostak dr inż.
PeopleI Gdańsk University of Technology: Chair of the Rector’s Internationalization Committee (October 2020 - Present) Erasmus + Coordinator for students and staff members, Faculty of Applied Physics and Mathematics (Mar 2017 - Present) Dean's Proxy for Internationalization, Faculty of Applied Physics and Mathematics (October 2020 - Present) Coordinator of the International Relations Office of the Faculty of Applied Physics and...
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Concrete temperature measurements of cubic specimens cured under isothermal and semi-adiabatic conditions
Open Research DataThe DataSet contains temperature measurements of concrete cubes (150 x 150 x 150 mm) cured under isothermal and semi-adiabatic conditions. The specimens were moulded from six types of concrete mixtures produced in the laboratory conditions. Mix #1: Portland cement CEM I 42.5R and gravel aggregate, mix #2: CEM I 42.5R and basalt aggregate, mix#3: Portland-composite...
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Hydrodynamic reanalysis of water temperature and salinity in the Baltic Sea using the PM3D model
Open Research DataThe dataset contains the results of numerical modeling of water temperature and salinity in the Baltic Sea since 1998. A long-term reanalysis was performed using the three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). A numerical dynamic-thermodynamic model of sea...
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Enabling simultaneous redox transformation of toxic chromium(VI) and arsenic(III) in aqueous media—A review
PublicationSimultaneous conversion of most harmful As(III) and Cr(VI) to their less toxic counterparts is environmentally desirable and cost-effective. It has been confirmed that simultaneous oxidation of As(III) to As(V) and reduction of Cr(VI) to Cr(III) can occur via free radical or mediated electron transfer processes. While Cr(VI) is reduced by reacting with H•, eaq−, photoelectron directly or undergoing ligand exchange with H2O2 and...
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Modeling an Industrial Revolution: How to Manage Large-Scale, Complex IoT Ecosystems?
PublicationAdvancements around the modern digital industry gave birth to a number of closely interrelated concepts: in the age of the Internet of Things (IoT), System of Systems (SoS), Cyber-Physical Systems (CPS), Digital Twins and the fourth industrial revolution, everything revolves around the issue of designing well-understood, sound and secure complex systems while providing maximum flexibility, autonomy and dynamics. The aim of the...
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Performance measurements and optimization of visualization of routes traveled in the distributed dispatcher and teleinformation system for visualization of multimedia data for the Border Guard
PublicationMonitoring of country maritime border is an important task of the Border Guard. This activity can be enhanced with the use of the technology enabling gathering information from distributed sources, processing of that information and its visualization. The system presented in the paper is an advancement of the previously developed distributed map data exchange system. The added functionality allows to supplement the map data with...
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Relevance of the EU Structural Funds’ Allocation to the Needs of Combating Air Pollution in Poland. Analysis of the Operational Programmes of Regions Threatened With Critical Air Pollution from Distributed Energy Sources
PublicationRecent years, the European Environmental Agency, has been reporting air quality parameters in Poland, as the poorest among all the EU countries. Despite of adoption of the EU legislation on energy efficiency and energy performance of buildings, existing legal solutions occur insufficient in reducing air pollution in Polish regions. Lack of an effective schemes supporting complex thermal renovation of buildings, exchange of inefficient...
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Optimization of the Relative Humidity of Reactant Gases in Hydrogen Fuel Cells Using Dynamic Impedance Measurements
PublicationWater management is a key factor affecting the efficiency of proton exchange membrane fuel cells (PEMFCs). The currently used monitoring methods of PEMFCs provide limited information about which processes or components that humidity has a significant impact upon. Herein, we propose the use of a novel approach of impedance measurements using a multi-sinusoidal perturbation signal, which enables impedance measurements under dynamic...
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Vertical Temperature Stratification of the Gulf of Gdansk Water
PublicationThe Baltic Sea is characterized by variable hydroacoustic conditions, which depend on hydrological conditions throughout the year. The temperature of the water is the factor that has the greatest impact on the changes in the speed of the sound in this basin. Even at a small depth, we can observe a large temperature gradient affecting the accuracy of the conducted research using hydroacoustic devices. A characteristic feature of...
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Biocompatibility and potential functionality of lanthanum-substituted cobalt ferrite spinels
PublicationBulk and nanostructurized lanthanum-cobalt spinels have attracted a lot of interest from researchers, due to their unique physical and chemical properties as well as functionalities, which are interesting for biomedical and electronic industries. In this manuscript we show that introducing small lanthanum (La3+) content can tune magnetic, electronic and cytotoxic properties of the CoFe2− xLaxO4 system (x ≤ 0.1). The mechanisms...
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CREATING A RANKING OF DIAGNOSTIC PARAMETERS FOR THE DYNAMIC PROCESS OF A MARINE COMBUSTION ENGINE IN THE ASPECT OF MULTI-CRITERIA EVALUATIONS
PublicationThe change of some of the engine’s structural parameters affects the change of toxic compound emission in exhaust gases. It mainly applies to the damage sustained by the charge exchange system as well as the fuel system and the engine supercharging system. These changes are definitely higher during dynamic states and the related transient states. As such, it is possible to speak of a diverse sensitivity of the diagnostic parameters...
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Hardware-Software Implementation of Basic Principles Simulator of Nuclear Reactor Processes
PublicationThe paper presents implementation process of basic principle simulators of a nuclear reactor processes. Simulators are based on point-models of processes: kinetics of neutrons, heat generation and exchange, poisoning and burning-up nuclear fuel. Reference simulator was developed in MATLAB/Simulink without taking into account real-time operation. Second simulator was built using the toolbox xPC with hard real-time requirements....
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Mean Crossover in evolutionary path planning method for maritime collision avoidance
PublicationAbstract: This paper presents the use of mean crossover genetic operator for path planning using evolutionary algorithm for collision avoidance on sea. Mean crossover ensures widening of the possible solutions' set that can be achieved in comparison to exchange crossover variant. The research shown, that the mean crossover allows to achieve results independent from the initial generation and quicker transition of thealgorithm from...
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The Development of a Conceptual Framework for Knowledge Sharing in Agile IT Projects
PublicationOrganizations must adapt their resources to meet the challenges associated with changes in the work environment in order to remain competitive in the information era. Several research findings identify knowledge sharing as a means for an organization to improve its competitiveness. Knowledge sharing can be defined in a variety of ways, but it essentially refers to the exchange of knowledge from an information giver to an information...
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Joint experimental and theoretical study on low-energy elastic electron scattering by gaseous alkynes: Differential cross sections, shape resonances, and methylation effects
PublicationA detailed comparison of experimental and theoretical elastic cross sections for low-energy electron scattering by ethyne, taken earlier in our group by Gauf et al. [Phys. Rev. A 87, 012710 (2013)], and some of its methylated derivatives, propyne, and the isomers 1-butyne and 2-butyne, taken here, are presented. The present differential cross sections were measured at incident electron energies ranging from 1 eV to 30 eV and...
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Utilization of the zero unitarization method for the building of a ranking for diagnostic marine engine parameters
PublicationChanging some of the parameters of the engine structure affects the emission of harmful components in the exhaust gases This primarily concerns damage in the cargo exchange system as well as in the fuel system and engine boost system. Changes in emissions of harmful compounds are often ambiguous, depending largely on the parameters that shape the combustion process. An additional problem is that often simple but undesired interactions...
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Simultaneous removal of heavy metals and dyes in water using a MgO-coated Fe3O4 nanocomposite: Role of micro-mixing effect induced by bubble generation
PublicationThis study focused on the development of a nano-adsorbent for contaminant removal without the use of any external energy. An eco-friendly Fe3O4@MgO core-shell nanocomposite was synthesized and tested for the removal of a heavy metal, lead (Pb2+) and a dye, rhodamine B (RhB). The addition of H2O2 into the system enabled the self-mixing of the aqueous solution containing Fe3O4@MgO through the generation of bubbles. This system showed...
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Analysis of an Energy Management System of a Small Plant Connected to the Rural Power System
PublicationThis paper presents the analysis of an energy management system (EMS) implemented to fulfill the requirements of a microgrid (MG) power supply owned by a small industrial company and connected to the rural power system. The main goal of this system is to ensure connection with the existing rural power system in terms of energy exchange, as well as to perform islanding mode operation of the microgrid based on the energy demand of...
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Leaf wettability and plant surface water storage for common wetland species of the Biebrza peatlands (northeast Poland)
PublicationWetlands play a crucial role in buffering the effects of climate change. At the same time, they are one of the most endangered ecosystems on the globe. The knowledge of the water cycle and energy exchange is crucial for the practical preservation and exploiting their capabilities. Leaf wettability is an important parameter characterising the plant's ability to retain water on its surface, and is linked to the ecosystems' hydrological...
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Identyfikacja trajektorii obiektów dynamicznych w przestrzeni kartezjańskiej na podstawie informacji z wielu estymatorów stanu
PublicationW rozprawie przedstawiono metodologię umożliwiającą implementację rozproszonego asynchronicznego systemu wyznaczania trajektorii. System tego typu jest złożony ze zbioru tzw. węzłów (estymatorów lokalnych), które komunikują się ze sobą. Każdy węzeł wyznacza trajektorię obserwowanego obiektu/procesu na podstawie dwóch zbiorów danych. Pierwszym zbiorem są pomiary dostarczane przez skojarzone z danym...
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Analiza parametrów płukania sieci wodociągowej metodą ukierunkowanego przepływu wody
PublicationEksperymenty prowadzone przez wiele lat podczas płukania sieci wodociągowej metodą jednokierunkowego przepływu wody umożliwiają weryfikację interakcji między jakością wypłukiwania nagromadzonych zanieczyszczeń oraz parametrami przepływu, liczbą cykli wymiany wody, a także zasięgiem płukania. Usuwanie zanieczyszczeń na początku przebiega zgodnie z szybko rosnącą krzywą, a następnie według funkcji malejącej. Taki przebieg jest spowodowany...
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All-gather Algorithms Resilient to Imbalanced Process Arrival Patterns
PublicationTwo novel algorithms for the all-gather operation resilient to imbalanced process arrival patterns (PATs) are presented. The first one, Background Disseminated Ring (BDR), is based on the regular parallel ring algorithm often supplied in MPI implementations and exploits an auxiliary background thread for early data exchange from faster processes to accelerate the performed all-gather operation. The other algorithm, Background Sorted...
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Simulation model for evaluation of QOS dynamic routing
PublicationCurrent informational networks use a large variety of technologies to support data exchange. Most of them are focused on IP protocol and include mechanisms which by definition should supply demanded QoS. One of those mechanisms is efficient path calculation - routing. Traffic offered to the network can change very rapidly in short term. Routing should support such traffic changes and all the time calculate valid paths in terms...
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Overcoming Challenges of Virtual Scrum Teams: Lessons Learned Through an Action Research Study
PublicationAfter the COVID-19 breakout, agile teams found themselves in situations that “pure agilists” and textbooks on agile methods had preferred to ignore. Whereas agile mindsets helped them to quickly shift to remote work, mere virtualization of agile practices often proved insufficient, and several challenges emerged. This paper reports on an Action Research project carried out in Lufthansa Systems Poland with the aim of (1) revisiting...
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Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublicationWe investigate the experimentally challenging CrCl3 surface by photon energy dependent photoemission (PE). The core and valence electrons after cleavage of a single crystal, either in a ultrahigh vacuum (UHV) or in air, are studied by keeping the samples at 150 1C, aiming at confirming the atomic composition with respect to the expected bulk atomic structure. A common spectroscopic denominator revealed by data is the presence of...
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Improving performance of large thrust bearings through modeling and experimentation
PublicationLarge thrust bearings are highly loaded machine elements and their failures cause serious losses. Start ups and stoppages of the bearing under load are specially critical regimes of operation. Load carrying capacity depends on the profile of the oil gap. In transient states this profile is also changing. In the design of large thrust bearings minimizing thermo-elastic deformations is an important goal, which can be accomplished...
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Fluvial ecology disasters: the impact of the Gliwice Canal on the ecological crisis in the Oder River basin, Poland (2022)
PublicationIn August 2022, the Oder River experienced an ecological disaster, resulting in the extinction of hundreds of aquatic organ- isms. Mass fsh deaths also occurred during that time in the Gliwice Canal, located in southern Poland, which connects to the upper section of the Oder River. The aim of the article was to assess the impact of the waters from the Gliwice Canal on the water quality changes in the Oder River, as expressed by...
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Evaluation of the factors influencing business bankruptcy risk in Poland
PublicationThis article is devoted to the issue of assessing the causes of business failure. The presented studies answer two research questions – what are the causes of corporate bankruptcies in Poland and how to more efectively predict the scale of bankruptcies in the country. The author has conducted a study to analyze the specic endogenous and exogenous causes of company bankruptcy depending on the type of the bankruptcy with consideration...
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Assessment of Fuel Cells’ State of Health by Low-Frequency Noise Measurements
PublicationWe proposed applying low-frequency (flicker) noise in proton-exchange membrane fuel cells under selected loads to assess their state of health. The measurement set-up comprised a precise data acquisition board and was able to record the DC voltage and its random component at the output. The set-up estimated the voltage noise power spectral density at frequencies up to a few hundred mHz. We observed the evolution of the electrical...
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Adsorption onto zeolites: molecular perspective
Publication2D minerals are among key elements of advanced systems, but the need for understanding their interactions/reactions with materials and systems in which they are involved necessitates tracking their molecular and atomic monitoring. Zeolitic structures are microporous materials formed in the nature through volcanic activities or synthesis. Because of their outstanding physicochemical properties like cation exchange capacity and excellent...
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Elastic scattering of electrons from chloroform
PublicationWe present experimental and theoretical cross sections for elastic electron scattering from CHCl3. This is an important target because of its relevance to environmental chemistry and the plasma etching industry as a source of chlorine radicals. The experimental results were obtained at incident electron energies ranging from 0.5 to 800 eV in the 10deg-130deg scattering angle range. Theoretically, the scattering cross sections in...
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The share of investments in gold and oil using the example of selected European stock exchanges– A comparative analysis
PublicationIn this article, optimal investment portfolios with minimal risk and maximum efficiency were calculated. The portfolios were designated for ten selected European stock exchanges, based on the listings of the twenty largest companies in each of those markets. All calculations were made based on company shares only, company shares and investments in gold, shares of companies and investments in crude oil as well as shares of companies...
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Effective assessment of biopolymer-based multifunctional sorbents for the remediation of environmentally hazardous contaminants from aqueous solutions
PublicationPersistent contaminants in wastewater effluent pose a significant threat to aquatic life and are one of the most significant environmental concerns of our time. Although there are a variety of traditional methods available in wastewater treatment, including adsorption, coagulation, flocculation, ion exchange, membrane filtration, co-precipitation and solvent extraction, none of these have been found to be significantly cost-effective...
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Rendezvous of heterogeneous mobile agents in edge-weighted networks
PublicationWe introduce a variant of the deterministic rendezvous problem for a pair of heterogeneous agents operating in an undirected graph, which differ in the time they require to traverse particular edges of the graph. Each agent knows the complete topology of the graph and the initial positions of both agents. The agent also knows its own traversal times for all of the edges of the graph, but is unaware of the corresponding traversal...