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Wyniki wyszukiwania dla: LARGE-SCALE DFT
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Numerical modeling of the combustion in a lab-scale pulverized-coal fired combustion chamber
PublikacjaThis work presents results of numerical modeling of the combustion process inside a lab-scale drop-tube chamber, designed to investigate the slagging properties of the flue ashes, created through the solid fuel firing. Interaction between turbulence and chemistry is accounted by use of probability density function (PDF). FLUENT inputs for non-premixed combustion chemistry modeling are defined. A discrete second phase of the coal...
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Numerical modeling of the combustion in a lab-scale pulverized-coal fired combustion chamber
PublikacjaThis work presents results of numerical modeling of the combustion process inside a lab-scale drop-tube chamber, designed to investigate the slagging properties of the flue ashes, created through the solid fuel firing. Interaction between turbulence and chemistry is accounted by use of probability density function (PDF). FLUENT inputs for non-premixed combustion chemistry modeling are defined. A discrete second phase of the coal...
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The Simulation of Activated Sludge System for Optimization of Predictive Aeration at Large WWTP
PublikacjaEffective use of biodegradable substrates as an internal carbon sources (ICS) for denitrification and EBPR and predicting performance of aeration systems during nitrification in activated sludge bioreactors, may be useful in realization the sustainable development by potentially saving energy consumption at WWTPs. A large number of WWTPs use activated sludge systems with an integrated removal of carbon, nitrogen and phosphorus...
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Vessel Energy Requirement Prediction from Acceleration Stage Towing Tests on Scale Models
PublikacjaOne of the most crucial tasks for naval architects is computing the energy required to meet the ship’s operational needs. When predicting a ship’s energy requirements, a series of hull resistance tests on a scale model vessel is carried out in constant speed stages, while the acceleration stage measurements are ignored. Another important factor in seakeeping analysis is the ship’s hydrodynamic added mass. The second law of dynamics...
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Comparative Study of Machining Technology Selection to Manufacture Large-Size Components of Offshore Constructions
PublikacjaThe focus of this paper is on process planning for large parts manufacture in systems of definite process capabilities, involving the use of multi-axis machining centres. The analysis of machining heavy mechanical components used in off-shore constructions has been carried out. Setup concepts applied and operation sequences determined in related process plans underwent studies. The paper presents in particular a reasoning approach...
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Thermal utilization of meat-and-bone meal using the rotary kiln pyrolyzer and the fluidized bed boiler – The performance of pilot-scale installation
PublikacjaThermal utilization of meat-and-bone meal (MBM) is subject to stringent regulations that are meant to provide elimination of any potential pathogens. Incineration as well as other possible routes for thermal conversion of MBM are still at the research state. The universal technology was developed that allows to combust various types of waste organic materials, including animal waste, municipal solid waste and sludge, mixed at any...
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From Regenerative Buildings to Regenerative Urban Projects: Design frameworks to scale up within the area of regenerative practice
PublikacjaIn this chapter, a discussion will be presented of design frameworks and assessment tools that are useful for boosting the scale jumping of regenerative design practices and the paradigm shift. Our main objectives will be to identify existing design and assessment frameworks, to describe the way they work and how they can contribute to scale-jumping regenerative design, as well as to identify shortcomings and opportunities. We...
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Marking large amounts of student assignments
PublikacjaTechnologies offer plenty of possibilities to prepare individual remote online tasks for students. This gives a lot of space to search for ways to overcome the challenges, one of them being grading a high volume of student--generated content. The paper surveys the author’s experience with various forms of student e-activities and various forms of grading.
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Investigation method of large-volume tire with mobile test rig
PublikacjaThe goal of this research is to develop the tire test method and mobile tire test rig. The test rig enables measurement of tire properties as stiffness and viscous damping in vertical direction, and tire–ground characteristics on the asphalt rigid surface. The tire-ground characteristics are measured by force and a torque measurement hub. The design, calibration and the algorithm for calculating the forces in the wheel center are...
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Improvement of ships seakeeping performance by application of the Full-scale CFD simulations – case study
PublikacjaThe ship’s fuel economy is increasingly important. The paper presents the effect of redesigning a case study ship for increasing seakeeping performance. Selected wave parameters reflects very difficult operational con-ditions existing on the North Sea and the Baltic Sea. The analyzed variants of a case study ship represent the latest developments of modern hull forms. The concepts similar to V-shaped bulbous bow, X-bow, X-aft,...
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On the Possibilities of Decreasing Power Loss in Large Tilting Pad Thrust Bearings
PublikacjaJournal Menu About this Journal Abstracting and Indexing Aims and Scope Article Processing Charges Articles in Press Author Guidelines Bibliographic Information Citations to this Journal Contact Information Editorial Board Editorial Workflow Free eTOC Alerts Publication Ethics Submit a Manuscript Table of Contents Abstract Full-Text PDF Full-Text HTML...
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A pore-scale thermo–hydro-mechanical model for particulate systems
PublikacjaA pore scale numerical method dedicated to the simulation of heat transfer and associated thermo–hydro-mechanical couplings in granular media is described. The proposed thermo–hydro-mechanical approach builds on an existing hydromechanical model that employs the discrete element method for simulating the mechanical behavior of dense sphere packings and combines it with the finite volume method for simulating pore space fluid flow...
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Coupling transformation of carbon, nitrogen and sulfur in a long-term operated full-scale constructed wetland
PublikacjaThe coupling transformation of carbon, nitrogen and sulfur compounds has been studied in lab-scale and pilot-scale constructed wetlands (CWs), but few studies investigated full-scale CW. In this study, we used batch experiments to investigate the potentials of carbon, nitrogen and sulfur transformation in a long-term operated, full-scale horizontal subsurface flow wetland. The sediments collected from the HSFW were incubated for...
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PERFORMANCE OF ENDOSCOPIC IMAGE ANALYSIS ALGORITHMS IN LARGE BOWEL VIDEOS PROCESSING
PublikacjaComputer-assisted endoscopy is a rapidly developing eld of study. Many image anal- ysis algorithms exist, achieving very high rates of eciency at processing single endoscopic images. However, most of them were never tested in processing real-life endoscopic videos. In the article such tests of 16 endoscopy image analysis algorithms are presented and dis- cussed. Tests were performed on two real-life endoscopic videos of a human...
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Polish Version of Organizational Justice Scale
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Survivability analysis of scale-free networks
PublikacjaPraca dotyczy aspektów złośliwej kompromitacji stacji sieciowych poprzez epidemie wirusów komputerowych oraz ataki hackerskie. Opisano nowy autorski model analizy przeżywalności atakowanych sieci bezskalowych i ocenę metod zabezpieczeń. Pokazano wyniki modelowania efektywności środków powstrzymujących epidemie wirusów, polityk filtracji w ścianach ogniowych, efektywności blokowania adresów. Wszystkie wyniki są oryginalne i publikowane...
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Scale effects in cavitation erosion of materials
PublikacjaW pracy przedstawiono wpływ wielkości objętości erodowanego materiału na przebieg krzywych erozyjnych. Przedstawiono również niektóre wyniki Międzynarodowego Testu Kawitacyjnego.
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Modeling the Effects of Slowly Biodegradable Substrate at Large WWTP in Northern Poland
PublikacjaThe essential study was divided into two parts: experimental investigation and mathematical modeling using special platform to computer simulations. In the first part of research an innovative measurement procedure for an indirect determination of the effect of biodegradable particulate and colloidal Xs substrate was developed and implemented. The results of laboratory tests were used futher to verify the mechanism of the hydrolysis...
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Effect of the Presence of the Lifting Pocket on The THD Performance of a Large Tilting-Pad Thrust Bearing
PublikacjaIn this paper, an attempt was taken to study the effect of the lifting pocket on THD performance of a large tilting-pad thrust bearing of Itaipu power plant. B3earing performance was evaluated including recess shape for several cases of its depth. The results show, that hydrostatic recess changes calculated bearing properties quite significantly, especially in the vicinity of the pocket
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IEEE Transactions on Multi-Scale Computing Systems
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Disinfection characteristics of an advanced rotational hydrodynamic cavitation reactor in pilot scale
PublikacjaHydrodynamic cavitation is a promising technique for water disinfection. In the present paper, the disinfection characteristics of an advanced hydrodynamic cavitation reactor (ARHCR) in pilot scale were studied. The effects of various flow rates (1.4–2.6 m3/h) and rotational speeds (2600–4200 rpm) on the removal of Escherichia coli (E. coli) were revealed and analyzed. The variation regularities of the log reduction and reaction...
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Coarse-grained simulation - an efficient approach for studying motions of large proteins
PublikacjaOne of the most important challenges in performing Molecular Dynamics (MD) simulations of large protein complexes is to accommodate the model accuracy and the simulation timescale. Hitherto, for the most relevant dynamics of protein aggregates in an explicit aqueous environment, the timescale reachable for the all-atoms simulations is of hundreds of nanoseconds. This range is four to six orders of magnitude smaller than processes...
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Structural studies of methyl brevifolincarboxylate in solid state by means of NMR spectroscopy and DFT calculations
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Psychometric properties of the polish version of the job-related affective well-being scale
PublikacjaObjectives: The aim of this study was to verify psychometric properties of the Polish version of the Job-related Affective Well-being Scale (JAWS). Specifically, theoretical 4-factor structure (based on the dimensions of pleasure and arousal) and reliability of the original – 20-item JAWS (van Katwyk et al., 2000) and the shortened – 12-item (Schaufeli and Van Rhenen, 2006) versions were tested. Material and Methods: Two independent...
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An Improved Method of Minimizing Tool Vibration during Boring Holes in Large-Size Structures
PublikacjaThe paper presents a thoroughly modified method of solving the problem of vibration suppression when boring large-diameter holes in large-size workpieces. A new approach of adjusting the rotational speed of a boring tool is proposed which concerns the selection of the spindle speed in accordance with the results of the simulation of the cutting process. This streamlined method focuses on phenomenological aspects and involves the...
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Prediction of ship resistance with the use of Full-scale CFD simulations
PublikacjaIn recent years, the IMO has introduced new regulations to reduce the negative impact of ships on the natural environment. A particularly important step forcing technological innovations is the increasing requirement of ship energy efficiency. It is expressed by the Energy Efficiency Design Index (EEDI). Another important step towards green shipping is rising the required quality of fuel used for propulsion, so called Tier limits....
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Measurement of luminance and color uniformity of displays using the large-format scanner
PublikacjaUniformity of display luminance and color is important for comfort and good perception of the information presented on the display. Although display technology has developed and improved a lot over the past years, different types of displays still present a challenge in selected applications, e.g. in medical use or in case of multi-screen installations. A simplified 9-point method of determining uniformity does not always produce...
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How to evaluate methods used in chemical laboratories in terms of the total chemical risk? – a ChlorTox Scale
PublikacjaReliable assessment of the health and environmental risk associated with the use of chemicals is critical to ob- jectively evaluate the greenness and whiteness of an analytical method. An objective and useful way of risk assessment should take into account all the relevant properties of used substances, their actual amounts needed for application of the method, and quantify the assessment result using a standardized unit. This...
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Magdalena Apollo dr inż.
Osoby2017 - PhD in Civil Engineering, thesis: Risk management in construction investments related to urban regeneration projects, Gdansk University of Technology IX 2012–VI 2013 - Postgraduate Studies at Gdynia Maritime University: Research Project Management (IPMA D Certificate) 2010 – MSc in Management and Marketing, Gdansk University of Technology 2007 – MSc in Civil Engineering, Gdansk University of Technology 2007-2010 - structural...
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The clamping selection method to reduce the vibration of large-size workpieces during the face milling process
PublikacjaThe article introduces a method for selecting the best clamping conditions to obtain vibration reduction during milling of large-size workpiece. It is based on experimental modal analysis performed for a set of assumed, fixing conditions of a considered workpiece to identify Frequency Response Functions (FRFs) for each tightening torque of the mounting screws. Simulated plots of periodically changing nominal cutting forces are...
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Comparative Study of Balancing SRT by Using Modified ASM2d in Control and Operation Strategy at Full-Scale WWTP
PublikacjaDetailed knowledge on the composition of the influent going into the wastewater treatment system is essential for the development of a reliable computer model. In the context of WWTPs (wastewater treatment plants), the wastewater characteristics are not only important for activated sludge system modelling, but also have an impact on the appropriate control of single unit operations. The aim of this study was to evaluate the concepts...
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Photocatalytic degradation and pollutant-oriented structure-activity analysis of carbamazepine, ibuprofen and acetaminophen over faceted TiO2
PublikacjaPhotocatalytic degradation of carbamazepine, ibuprofen, acetaminophen and phenol was studied in the presence of anatase photocatalyst, exposing three different crystal facets in the majority of {0 0 1}, {1 0 0} or {1 0 1}. It was found that octahedral anatase particles exposing {1 0 1} facets allow to achieve the best degradation and mineralization of all persistent organic pollutants. This confirms that the previous findings,...
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Optical and photocatalytic properties of rare earth metal-modified ZnO quantum dots
PublikacjaA series of novel ZnO quantum dots modified with rare earth metals was successfully prepared by a simple sol-gel approach. The effects of types (Eu, Er, Tb, Yb, Ho, La) and amounts (from 0.09 to 0.45 mmol) of lanthanides on the optical properties, structural characterization and photocatalytic activity of ZnO/RE QDs were systematically investigated. The X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform...
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Magnetic deep eutectic solvents as efficient media for extraction of furfural and 5-hydroxymethylfurfural from aqueous samples
PublikacjaThe extraction of furfural (FF) and 5-hydroxymethylfurfural (HMF) from hydrolysates is currently one of the main challenges in bio-refinery. In this work, the separation of FF and HMF from the aqueous phase was carried out using a new type of green solvents – Magnetic Deep Eutectic Solvents (MDES). A conductor-like screening model for realistic solvents (COSMO-RS) was used for the preselection of 400 MDES. MDES which exhibit the...
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Direct determination of paraquat herbicide by square-wave voltammetry by two-step transfer mechanism at heterogeneous boron-doped carbon nanowall electrodes
PublikacjaBoron-doped carbon nanowalls (B:CNW) versus boron-doped diamond (BDD) materials were investigated for the effective electrochemical detection of highly toxic herbicide paraquat (PQ). Depending on the surface morphology and functional groups of BDD and B:CNWs, the electrochemical absorption and detection of the target analyte PQ revealed different detection mechanisms. The surface absorption mechanism was mainly observed for BDD,...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublikacjaThe 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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Two complementary approaches for the synthesis and isolation of stable phosphanylphosphaalkenes
PublikacjaPhospha-Wittig (phosphanylphosphinidene titanium(IV) complex) and phospha-Peterson (lithiated diphosphane) reactions were used to obtain phosphanylphosphaalkenes with the general formula XYC=P-PtBu2 (X = alkyl, aryl group or H; Y = alkyl or aryl group). Therefore, two series of reactions with different ketones and aldehydes were performed. An examination revealed that the two methods are complementary. For smaller carbonyl compounds,...
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Photoresponsive Amide-Based Derivatives of Azobenzene-4,4′-Dicarboxylic Acid—Experimental and Theoretical Studies
PublikacjaAzobenzene derivatives are one of the most important molecular switches for biological and material science applications. Although these systems represent a well-known group of compounds, there remains a need to identify the factors influencing their photochemical properties in order to design azobenzene-based technologies in a rational way. In this contribution, we describe the synthesis and characterization of two novel amides...
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Homoleptic mono-, di-, and tetra-iron complexes featuring phosphido ligands: a synthetic, structural, and spectroscopic study
PublikacjaWe report the first series of homoleptic phosphido iron complexes synthesized by treating either the β-diketiminato complex [(Dippnacnac)FeCl2Li(dme)2] (Dippnacnac = HC[(CMe)N(C6H3-2,6-iPr2)]2) or [FeBr2(thf )2] with an excess of phosphides R2PLi (R = tBu, tBuPh, Cy, iPr). Reaction outcomes depend strongly on the bulkiness of the phosphido ligands. The use of tBu2PLi precursor led to an anionic diiron complex 1 encompassing a planar...
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Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes
PublikacjaWe present a series of amino- and aryl(diphosphino)boranes R2PB(R’’)PR’2, where R2P, R’2P = tBu2P, tBuPhP, Ph2P, Cy2P, and R’’ = iPr2N, Ph, which were obtained via the metathesis reaction of iPr2NBBr2 or PhBBr2 with selected lithium phosphides. The structures of isolated diphosphinoboranes were characterized in the solid state and in solution by means of X-ray diffraction and NMR spectroscopy, respectively. The utility of these...
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The new diphosphanylphosphido complexes of tungsten(VI) and molybdenum(VI). Their synthesis, structures and properties
PublikacjaWe report on the reactivity of R2P–P(Li)–PR’2 (R = tBu, iPr, R’ = NEt2, iPr) towards diimido complexes [(dippN)2MCl2·dme] (M = Mo, W and dipp = 2,6-iPr2C6H3). A series of new complexes with diphosphanylphosphido ligands R2P–P–PR’2 were isolated. The solid-state structures of [(dippN)2M(Cl)(1,2-η-iPr2P–P– PiPr2)] (2Mo and 2W) and [(dippN)2M(Cl){1,2-η-tBu2P–P–P(NEt2)2}] (3Mo and 3W) were established by single-crystal X-ray diffraction...
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Taurine as a water structure breaker and protein stabilizer
PublikacjaThe enhancing effect on the water structure has been confirmed for most of the osmolytes exhibiting both stabilizing and destabilizing properties in regard to proteins. The presented work concerns osmolytes, which should be classified as “structure breaking” solutes: taurine and N,N,N-trimethyltaurine (TMT). Here, we combine FTIR spectroscopy, DSC calorimetry and DFT calculations to gain an insight into the interactions between...
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Effect of Polymerization Statistics on the Electronic Properties of Copolymers for Organic Photovoltaics
PublikacjaStatistical block copolymers, composed of donor (D) and acceptor (A) blocks, are a novel type of material for organic photovoltaics (OPVs) devices. In particular a new series of polymers based on PBTZT-stat-BDTT-8, recently developed by Merck, offers high solubility in different solvents, and a high power conversion efficiency (PCE) in different device architectures. Although it is known that the electronic properties of these...
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Synthesis of Cyano-Benzylidene Xanthene Synthons Using a Diprotic Brønsted Acid Catalyst, and Their Application as Efficient Inhibitors of Aluminum Corrosion in Alkaline Solutions
PublikacjaNovel cyano-benzylidene xanthene derivatives were synthesized using one-pot and condensation reactions. A diprotic Brønsted acid (i.e., oxalic acid) was used as an effective catalyst for the promotion of the synthesis process of the new starting xanthene–aldehyde compound. Different xanthene concentrations (ca. 0.1–2.0 mM) were applied as corrosion inhibitors to control the alkaline uniform corrosion of aluminum. Measurements were...
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Removal of diphenols using pine biochar. Kinetics, equilibrium, thermodynamics, and mechanism of uptake
PublikacjaThermal pyrolysis synthesized activated biochar from the Pinus elliottii sawdust (PS) at 600° C. The obtained activated biochar (PB600) was used for the removal of three diphenols, catechol (CAT), resorcinol (RES), and hydroquinone (HYD), which are utilized mainly in different industries. The PB600 was characterized by several analytical techniques. The BET surface area of 1473 m2.g−1 and a total pore volume of 0.707 cm3 g−1 was...
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Engineering boron and nitrogen codoped carbon nanoarchitectures to tailor molecularly imprinted polymers for PFOS determination
PublikacjaPer- and polyfluoroalkyl substances (PFAS) have gained significant attention as emerging contaminants due to their persistence, abundance, and adverse health effects. Consequently, the urgent need for ubiquitous and effective sensors capable of detecting and quantifying PFAS in complex environmental samples has become a priority. In this study, we present the development of an ultrasensitive molecularly imprinted polymer (MIP)...
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Effect of presence of lifting pocket on the THD performance of a large tilting-pad thrust bearing
PublikacjaHydrostatic assistance is a commonly used method to improve limited load carrying ability of tiltingpad thrust bearings during transient states of operation of vertical shaft hydro-generators. Despite of special hydraulic equipment (as pumps, valves, etc.), it also requires manufacturing of special recesses/pockets at pad sliding surfaces, into which oil is injected under high pressure. It allows to lift the rotor before start-up...
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Meso‐scale analyses of size effect in brittle materials using DEM
PublikacjaThe paper describes numerical meso-scale results of a size effect on strength, brittleness and fracture in brittle materials like concrete. The discrete element method (DEM) was used to simulate the size effect during quasi-static splitting tension with the experimental-based meso-structure. The two-dimensional (2D) calculations were carried out on concrete cylindrical specimens with two diameters wherein two different failure...
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Strategies for mitigating nitrous oxide production and decreasing the carbon footprint of a full-scale combined nitrogen and phosphorus removal activated sludge system
PublikacjaNitrous oxide (N2O) emitted from biological nutrient removal activated sludge systems contributes significantly to the total carbon footprint of modern wastewater treatment plants. In the present study, N2O production and emissions were experimentally determined in a large-scale plant (220,000 PE) employing combined nitrogen (N) and phosphorus (P) removal. As a modelling tool, the Activated Sludge Model 2d (ASM2d) was extended...
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Stock Markets’ Reactions to the Announcement of the Hosts. An Event Study in the Analysis of Large Sporting Events in the Years 1976–2032
PublikacjaThis study attempts to estimate the impact of the announcements of hosts of large sporting events on domestic stock markets. The research problem is to establish a connection between the uniqueness of a sporting event and investors’ beliefs through stock price behavior. Using appropriate estimation windows, 13 different sporting events classified as large, including mega and major events, were tested. The obtained results show...