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Search results for: DF
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The role of tungsten in formation of active sites for no SCR on the V-W-O catalyst surface — quantum chemical modeling (DFT)
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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublicationThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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Theoretical estimation of acid–base properties of Lewis and Brønsted centres at the V-W-O catalyst surface: water molecule as the probe in DFT calculations
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Vibrational Sum-Frequency Generation Activity of a 2,4-Dinitrophenyl Phospholipid Hybrid Bilayer: Retrieving Orientational Parameters from a DFT Analysis of Experimental Data
PublicationThe vibrational nonlinear activity of films of 2,4-dinitrophenyl phospholipid (DNP) at the solid interface is measured by sum-frequency generation spectroscopy (SFG). Hybrid bilayers are formed by a LangmuirSchaefer approach in which the lipid layer is physisorbed on top of a self-assembled monolayer of dodecanethiol on Pt with the polar heads pointing out from the surface. The SFG response is investigated in two vibrational frequency...
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Experimental and DFT insights into an eco-friendly photocatalytic system toward environmental remediation and hydrogen generation based on AgInS2 quantum dots embedded on Bi2WO6
PublicationBismuth tungstate (Bi2WO6) can work as a photocatalyst but suffers from rapid recombination of photogenerated charge carriers. Herein, density functional theory (DFT) simulations revealed that the formation of a thermodynamically stable AgInS2(112)/Bi2WO6(010) heterojunction could promote charge separation and enhance the photoactivity of Bi2WO6. To confirm these theoretical predictions, a new type of photocatalysts in the form...
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Crystal structure, DFT-study and NLO properties of the novel copper(I) nitrate π,σ-coordination compound based on 1-allyl-3-norbornan-thiourea
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A DFT computational study on the molecular mechanism of the nitro group migration in the product derived from 3-nitro-2-(trifluoromethyl)-2 H -chromene and 2-(1-phenylpropylidene)malononitrile
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Development of innovative manufacturing technology and implementation of CGO barrier layer, dedicated to double-sided SOFC fuell cells to optimize functional performance of 1kW fuell cell stack
ProjectsProject realized in Laboratorium Materiałów Funkcjonalnych ETI
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Intelligent Decision Forest Models for Customer Churn Prediction
PublicationCustomer churn is a critical issue impacting enterprises and organizations, particularly in the emerging and highly competitive telecommunications industry. It is important to researchers and industry analysts interested in projecting customer behavior to separate churn from non‐churn consumers. The fundamental incentive is a firm’s intent desire to keep current consumers, along with the exorbitant expense of gaining new ones....
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ECU calibration for gaseous dual fuel supply system in compression ignition engines
PublicationThe dual fuel (DF) combustion mode is proven solution that allows to improve or get at the same level engine performance and reduce toxic compounds in exhaust gases which is confirmed by researchers and end-users. DF combustion mode uses two fuels gaseous fuel as a primary energy source and a pilot quantity of diesel fuel as ignition source. However, in order, to fully take advantage of the potential of the dual fuel mode, DF system...
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Fracture Surface Behavior of 34CrNiMo6 High-Strength Steel Bars with Blind Holes under Bending-Torsion Fatigue
PublicationThe present study evaluates the fracture surface response of fatigued 34CrNiMo6 steel bars with transverse blind holes subjected to bending with torsion loading. The analysis of the geometric product specification was performed by means of height parameters Sx, functional volume parameters Vx, and fractal dimension Df. Surface topography measurements were carried out using an optical profilometer with focus variation technology....
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Brewery spent grain valorization through fermentation: Targeting biohydrogen, carboxylic acids and methane production
PublicationThis study investigated three different fermentation approaches to explore the potential for producing biohydrogen, carboxylic acids, and methane from hydrolysates of thermally dilute acid pretreated brewer's spent grains (BSG). Initially, the research focused on maximizing the volumetric hydrogen production rate (HPR) in the continuous dark fermentation (DF) of BSG hydrolysates by varying the hydraulic retention time (HRT). The...
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Feasibility Study of Biohydrogen Production from Acid Cheese Whey via Lactate-Driven Dark Fermentation
PublicationThe high loading of lactic acid bacteria (LAB) present in cheese whey still limits its use as hydrogen feedstock. This study aims to investigate the feasibility of producing hydrogen from acid cheese whey via lactate-driven dark fermentation (LD-DF). Mesophilic batch fermentations were performed with delipidated acid cheese whey at a fixed pH of 5.8 and driven by an acidogenic bacterial culture containing LAB and lactate-oxidizing...
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Three-Dimensional Fractography for Conventional and Additive Manufactured Steels After Bending-Torsion Fatigue
PublicationIn this study, fracture surface topography parameters were measured to investigate the effects of multiaxial loading. In order to assess the metrological aspects of fracture for notched specimens made of high-strength steels processed by both conventional and additively manufacturing (AM) techniques, an optical surface profilometer was used. Three bending moment to torsion moment ratios (B/T) were studied, i.e. 2, 1 and 2/3. The...
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Fractographic-fractal dimension correlation with crack initiation and fatigue life for notched aluminium alloys under bending load
PublicationIn this study, fatigue fracture surfaces of aluminium alloy 2017-T4 notched specimens were investigated under cyclic bending to find an alternative failure loading index.. The surface topographies were measured on the entire fracture area with an optical profilometer for different loading conditions. Fatigue crack initiation life Ni and total fatigue life Nf were examined using standard surface topography parameters (such as, root...
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Recycled rubber wastes-based polymer composites with flame retardancy and electrical conductivity: Rational design, modeling and optimization
PublicationPolymer recycling techniques experience a maturity period of design and application. Rubbers comprise a high proportion of polymer wastes, highly flammable and impossible to re-melt. Polymer composites based on ground tire rubber (GTR) and ethylene-vinyl acetate copolymer (EVA) containing carbon black (CB) (1–50 phr), with variable EVA/GTR weight composition (10/90, 25/75, 50/50, 75/25 and 90/10), and processing temperature (Low:...
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Daylight metrics and requirements: A review of reference documents for architectural practice
PublicationDaylight has always been part of architectural practice since architects have used it to define spaces and create complex structures. Daylighting is, nowadays, seen as key strategy for sustainability, energy efficiency and resilience in buildings. This article aims to investigate daylight requirements in reference documents for architectural practice through the collection and qualitative analysis of documents. 117 reference documents...
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Eksploatacja napędów hydraulicznych w niskich temperaturach otoczenia część III. Badania rozdzielaczy hydraulicznych w warunkach szoku termicznego
PublicationW artykule przedstawiono badania rozdzielaczy w warunkach szoku termicznego. Rozdzielacze są zespołami hydraulicznymi wrażliwymi na szok termiczny. Przy dużej różnicy temperatur gorącej cieczy roboczej i rozdzielacza, wynoszącej ok. 50 K, może dojść do nieprawidłowego ich działania (wykasowania luzu pomiędzy suwakiem a korpusem). Rozdzielacze w tym proporcjonalne, badane w ekstremalnych warunkach zasilania, działają prawidłowo...
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The Effect of Oxygenated Diesel-N-Butanol Fuel Blends on Combustion, Performance, and Exhaust Emissions of a Turbocharged CRDI Diesel Engine
PublicationThe article deals with the effects made by using various n-butanol-diesel fuel blends on the combustion history, engine performance and exhaust emissions of a turbocharged four-stroke, four-cylinder, CRDI 1154HP (85 kW) diesel engine. At first, load characteristics were taken when running an engine with normal diesel fuel (DF) to have ‘baseline’ parameters at the two ranges of speed of 1800 and 2500 rpm. Four a fossil diesel (class...
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Iron (Magnetite) Nanoparticle-Assisted Dark Fermentation Process for Continuous Hydrogen Production from Rice Straw Hydrolysate
PublicationThe use of metal nanoparticles (NPs) to enhance hydrogen production in dark fermentation (DF) has become a pioneering field of interest. In particular, iron-based nanoparticles (FeNPs) play a pivotal role in enhancing the activity of metalloenzymes and optimizing feedstock utilization, resulting in improved hydrogen production. This study investigated the effect of FeNPs (magnetite) supplementation at three different concentrations...
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The correlation of fractal dimension to fracture surface slope for fatigue crack initiation analysis under bending-torsion loading in high-strength steels
PublicationIn this study, the fractal dimension of fatigue fracture surfaces is investigated in order to find an alternative failure loading indicator. Some of many metrological factors are generalized by reducing the fracture surface structure to one factor and develop an entire fracture surface procedure by analyzing the impact of surface slope and calculation resolution. Three notched geometries are studied under cyclic bending-torsion:...
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An incorporation of contemporary daylight assessment methods into architecture and urban planning of residential areas in Poland
PublicationThis paper presents the preliminary results of the ongoing research focusing on daylight design methods for the urban planning of residential areas in Poland. The purpose of this research is to find out if modern daylight performance metrics and design methods can be beneficial to the process of urban residential planning. The paper presents a review of daylight guidelines derived from historic, Polish building regulations. A summary...
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Incidence of severe critical events in paediatric anaesthesia (APRICOT): a prospective multicentre observational study in 261 hospitals in Europe
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Outcomes of gynecologic cancer surgery during the COVID-19 pandemic: an international, multicenter, prospective CovidSurg-Gynecologic Oncology Cancer study
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Effect of COVID-19 pandemic lockdowns on planned cancer surgery for 15 tumour types in 61 countries: an international, prospective, cohort study
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