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Wyniki wyszukiwania dla: free energy calculations
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Diiodo-BODIPY Sensitizing of the [Mo3S13]2– Cluster for Noble-Metal-Free Visible-Light-Driven Hydrogen Evolution within a Polyampholytic Matrix
PublikacjaWe report on a photocatalytic setup that utilizes the organic photosensitizer (PS) diiodo-BODIPY and the non-precious-metal-based hydrogen evolution reaction (HER) catalyst (NH4)2[Mo3S13] together with a polyampholytic unimolecular matrix poly(dehydroalanine)-graft-poly(ethyleneglycol) (PDha-g-PEG) in aqueous media. The system shows exceptionally high performance with turnover numbers (TON > 7300) and turnover frequencies (TOF...
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublikacjaThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Band structure, Born effective charges, and lattice dynamics of CuInS2 from ab initio calculations
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Comparing N3-60 cascade exit angles obtained from tunnel measurements and numerical calculations
PublikacjaThe article compares the results of measurements performed in the aerodynamic tunnel at CUT and numerical simulation carried out for a plane cascade of N3-60 profiles. Comparing the measured and calculated results provides opportunities for assessing the range of systematic differences between simulation predictions and actual experimental results.
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Moisture Influence on Compressive Strength of Calcium Silicate Masonry Units–Experimental Assessment and Normative Calculations
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Evaluation of water turbine hydrodynamic thrust bearing performance on the basis of thermoelastohydrodynamic calculations and operational data
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Evaluation of water turbine hydrodynamic thrust bearing performance on the basis of thermoelastohydrodynamic calculations and operational data.
PublikacjaW pracy przedstawiono analizę konstrukcji łożyska wzdłużnego turbiny wodnej. Łożysko zostało skonstruowane około 50 lat temu, a jego konstrukcja przewiduje kompensację termicznych odkształceń klocków. W analizie uwzględniono odkształcenia łożyska i wymianę ciepła w filmie smarowym i klockach łożyskowych. Poza obecną konstrukcją łożyska przeprowadzono również studium wpływu podstawowych parametrów konstrukcyjnych: grubości klocka...
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Buckling resistance of a metal column in a corrugated sheet silo - experiments and non-linear stability calculations
PublikacjaThe results of experimental and numerical tests of a single corrugated sheet silo column’s buckling resistance are presented in this study. The experiments were performed in a real silo with and without bulk solid (wheat). A very positive impact of the bulk solid on the column buckling resistance occurred. The experimental results were first compared to the buckling resistance calculated by Eurocode 3 formulae. The comparison revealed that...
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Comparative DEM calculations of fracture process in concrete considering real angular and artificial spherical aggregates
PublikacjaArtykuł omawia wyniki obliczeń numerycznych pękania dla betonu stosując metodę elementów dyskretnych (DEM). Beton był opisany jako materiał 4-fazowy i był poddany zginaniu. Zbadano wpływ kształtu kruszywa na proces pekania i na zalezność obciązenia od ugięcia. Wyniki dwuwymiarowe i trzywymiarowe porównano bezpośrednio z doświadczeniami. Wyniki pokazały duzy wpływ kształtu kruszywa na wyniki numeryczne.
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PHYSICAL MODEL OF ENERGY-RELATED PROCESSES IN A ROTATING MECHANICAL SYSTEM FOR THE PURPOSES OF DIAGNOSIS OF TRANSMISSION SHAFTS
PublikacjaIn the present article, selected problems connected with identification of slowly changing energy-related processes accompanying high cyclic fatigue of construction materials of simple mechanical systems, with special consideration of transmission shafts, are mentioned for diagnostic purposes. The article also presents physical models of object and processes that in a simplified way reflect mechanical energy transmission from transmission...
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Low energy differential elastic electron scattering from acetonitrile (CH3CN)
PublikacjaMeasurements of elastic differential cross sections for electron scattering from acetonitrile (CH3CN) have been performed utilizing a crossed electron-molecular beam experiment and with the relative flow method, for the incident electron energy range of 0.7 eV–30 eV and the scattering angle range of 10◦–130◦. These differential cross sections have been used to calculate the elastic integral and momentum- transfer cross sections,...
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Innovative Gathering and Energy Management System Integrated within PV Module
PublikacjaThe dynamic development of battery technology and design based on the flow of lithium ions, mainly driven by the needs of the automotive industry leads to the Conclusion That they are becoming a more viable alternative to traditional lead-acid batteries. Their use is driven by the ability it quickly charge and discharge times higher durability, maintenance-free operation and much smaller dimensions as well as weight. The emergence...
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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
PublikacjaA 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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ANALYSIS AND OPTIMIZATION OF ELECTRIC VEHICLE CHARGING PROCESSES IN TRANSACTIVE ENERGY SYSTEMS
PublikacjaThe implementation of smart charging of electric vehicles allows operators of local power networks and electricity suppliers to implement new business models for the interaction of electric vehicles with the network. In addition to the optimal selection of Microgrid capacities when charging electric vehicles, it is also important to use different charging methods. To satisfy the interests of all participants of local systems from...
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Improving the energy balance in wastewater treatment plants by optimization of aeration control and application of new technologies
PublikacjaThe methods to improve the energy balance of a wastewater treatment plant (WWTP) by optimization of aeration process control and application of innovative nitrogen removal technologies were overviewed in the study. The control of aeration based on the ABAC (Ammonia-Based Aeration Control) system allows not only for significant savings in electricity consumption, but it can also increase the efficiency of the denitrification process....
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublikacjaThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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Grid-Forming Operation of Energy-Router Based on Model Predictive Control with Improved Dynamic Performance
PublikacjaThe focus of this study is on the grid-forming operation of the Energy Router (ER) based on Model Predictive Control (MPC). ER is regarded as a key component of microgrids. It is a converter that interfaces the microgrid (s) with the utility grid. The ER has a multiport structure and bidirectional energy flow control. The ER concept can be implemented in Nearly Zero-Energy Buildings (NZEB) to provide flexible energy control. A...
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A Wideband Rotary-Joint-Free H-Plane Horn Antenna With 360° Steerable Radiation Pattern Using Gap Waveguide Technology
PublikacjaConsidering the limitations of electronically steerable antennas such as limited steering span, gain degradation for large steering angles, complexity, and cost, this article is focused on the design of a simple mechanically steerable H-plane horn antenna. It is shown that since there is no need for an electrical connection between the top and bottom sections of a gap waveguide (GWG), if a sectoral horn is properly designed and realized...
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The Dilemmas of Choosing a Suitable Technology for Low Energy and Passive Houses in the Context of their Overheating Issues
PublikacjaIn compliance with European Union directives, numerous countries are introducing increasingly stricter legal limits on the estimated energy consumption of newly designed residential buildings. However, the fact, that regulations and designers' efforts are focused on decreasing energy consumption (and consequently carbon dioxide emissions) only at the post-occupancy stage, may lead to a significant increase in the carbon footprint...
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Impact of Energy Slope Averaging Methods on Numerical Solution of 1D Steady Gradually Varied Flow
PublikacjaIn this paper, energy slope averaging in the one-dimensional steady gradually varied flow model is considered. For this purpose, different methods of averaging the energy slope between cross-sections are used. The most popular are arithmetic, geometric, harmonic and hydraulic means. However, from the formal viewpoint, the application of different averaging formulas results in different numerical integration formulas. This study...
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Reducing Air Pollutant Emissions from the Residential Sector by Switching to Alternative Energy Sources in Single-Family Homes
PublikacjaThe paper discusses a scenario for adapting residential buildings to the requirements of the EU climate and energy package. It analyzes the option of reducing pollutant emissions to ambient air by switching to alternative energy sources in a typical single-family residential building. The most common sources of energy in central heating and ventilation systems and water heating systems were compared, and the analyzed energy carriers...
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Enhanced energy conversion as a result of fluid-solid interaction in micro- and nanoscale
PublikacjaIt is known that nano- and micromechanics require new approaches to right describing of surface-like phenomena which lead to an enhanced energy conversion. In this work, a general form of surface forces that consist of a contribution from both the friction and mobility components has been extended to collect the effects of bulk and surface motion of a fluid. Quite similar impact can be observed for a solid-fluid mixture, where...
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Branched Poly(l-lysine)-Derived Nitrogen-Containing Porous Carbon Flake as the Metal-Free Electrocatalyst toward Efficient Oxygen Reduction Reaction
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Modeling and optimization of chemical-treated torrefaction of wheat straw to improve energy density by response surface methodology
PublikacjaToday, torrefaction is important technique for extending the potential of biomass for improvement of energy density. The independent variables investigated for torrefaction study were temperature, retention time, acid concentration, and particle size. The experiment was designed by central composite design (CCD) method using design expert (version 11). The three dependent variables were higher heating value (HHV), energy enhancement...
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Control system for contactless electrical energy transfer with varying air gap
PublikacjaInductive power transfer (IPT) is a system by which electrical energy may be transmitted without electrical connection through a large air gap between coils. Systems usually considered in the literature are the ones with a constant air gap. The paper describes the analysis of IPT, which allows for supplying an electrical load in the conditions of slow, in relation to the dynamics of power supply, changes in the dimensions of the...
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Do the New Requirements for the Use of Energy Efficient Lighting Design Mean the End of Creativity?,
PublikacjaThis paper addresses issues strongly connected to recent environmental discussions which are currently taking place in Europe, Asia, America, Australia and other parts of the world about global warming, the Greenhouse Effect, light pollution and other negative impacts artificial lighting has on our planet and what can be done about it. The author also attempts to answer indirectly two of the most important questions for lighting...
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An effective method for studying intermolecular interactions in binary liquids with hydrogen bonds: FTIR spectra and ab initio calculations in the N-methylformamide - methanol system
PublikacjaMolecular complexes in methanol (MeOH)−N-methylformamide (NMF) mixtures were studied based on their FTIR-ATR spectra, to which two methods of analysis were applied: factor analysis and a quantitative version of the difference-spectra method. The mean composition of a complex between NMF and MeOH molecules over the whole range of mixture compositions was determined. Absorbing species differentiated with regard to the interaction...
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Super capacitor energy bank MEDCOM UCER-01 in Gdynia trolleybus system
PublikacjaSince 2001, trolleybus system in Gdynia has been involved in many activities related to the reduction of power consumption, both in terms of implementation and research and development. The installation of the supercapacity energy bank on substation Wielkopolska in 2014 year was one of them. It is the first such big stationary supercapacitor storage system installed in trolleybus supply system in the Middle - Eastern Europe. The...
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Dynamic GPU power capping with online performance tracing for energy efficient GPU computing using DEPO tool
PublikacjaGPU accelerators have become essential to the recent advance in computational power of high- performance computing (HPC) systems. Current HPC systems’ reaching an approximately 20–30 mega-watt power demand has resulted in increasing CO2 emissions, energy costs and necessitate increasingly complex cooling systems. This is a very real challenge. To address this, new mechanisms of software power control could be employed. In this...
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Strategies for Achieving Energy Neutrality in Biological Nutrient Removal Systems – a Case Study of the Slupsk WWTP (northern Poland)
PublikacjaThe paper presents a model-based evaluation of technological upgrades on the energy and cost balance in a large biological nutrient removal wastewater treatment plant (WWTP) in the city of Slupsk (northern Poland). The proposed upgrades include chemically enhanced primary sludge removal and reduction of the nitrogen load in the deammonification process employed for reject water treatment. Simulations enabled to estimate the increased...
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Strategies for achieving energy neutrality in biological nutrient removal systems - a case study of the Slupsk WWTP (northern Poland)
PublikacjaThe paper presents a model-based evaluation of technological upgrades on the energy and cost balance in a large biological nutrient removal wastewater treatment plant (WWTP) in the city of Slupsk (northern Poland). The proposed upgrades include chemically enhanced primary sludge removal and reduction of the nitrogen load in the deammonification process employed for reject water treatment. Simulations enabled to estimate the increased...
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Low-energy electron scattering from molecular hydrogen: Excitation of the X1Σg+ to b3Σu+ transition
PublikacjaWe present time-of-flight differential cross-section measurements and convergent close-coupling calculations of differential cross sections for the electron-impact excitation of the X 1 g + → b 3 u + transition in molecular hydrogen. A part of this work was recently published [M. Zawadzki et al., Phys. Rev. A 97, 050702(R) (2018)]. In this work, agreement between theory and experiment is excellent overall, and marks a transition...
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Fracture Energy of Bonded Joints with 2D Elastic Adhesive Layer
PublikacjaWhen bonded joint is subjected to mode I fracture loading, the adhesive joints analytical solutions treats the adhesive layer, usually, as not existing or 1D Hooke elastic layer. In the case of 1D elastic layer, represented as Hookes spring element, is acting, only, in direction contrary to the applied load. Basing on the information yielded from sensitive laser profilometry technique, where deflections of bonded part of the joint...
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Low energy elastic scattering of electrons from hexafluoropropene (C3F6)
PublikacjaWe present cross sections from a joint experimental and theoretical study on elastic electron scattering from hexafluoropropene (C3F6) in the gas phase. The experimental results, using low energy electron spectroscopy, were obtained at incident electron energies of 0.5, 1, 1.5, 2, 3, 4, 5, 6, 10, 12, 15 and 20 eV, for scattering angles ranging from 10°to 130°. The theoretical method used in the computation of the integral, momentum...
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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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Effect of Vascular Lumen Reduction on the Performance and Energy Consumption of an Innovative Implantable LVAD
PublikacjaThis paper presents the results of a study on the effect of vascular lumen reduction on the performance of an innovative implantable LVAD (left ventricular assist device). It details the pressures in the individual cardiac chambers as a function of device frequency. In addition, mass flow rates and energy consumption of the device are examined, varying with lumen reduction and operating frequency. While the lumen reduction of the...
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Assessing Roadside Hybrid Energy Absorbers Using the Example of SafeEnd
PublikacjaA combination of crash cushion and end-terminal, hybrid energy absorbing devices have been in use worldwide for a few years already. They include SafeEnd, a system Poland has recently introduced. Some road authorities have raised concerns as regards the operating conditions of the devices and how they work together with safety barriers. The objective of this research is to clarify the concerns and answer the following questions:...
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Striving for spatial energy efficiency in dwelling complexes. Kształtowanie przestrzennej efektywności energetycznej w zespołach zabudowy mieszkaniowej.
PublikacjaThe main aim of this article was to discover the key characteristics in shaping most rewarded eco- district complexes built respectively in temperate climate zone in respect to spatial energy efficiency and resilience principles. It was done through careful case studies, comparative analysis and juxtaposition of critical parameters related to spatial energy efficiency and resilience in chosen representative dwelling complexes....
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Silicon Oxycarbide-Graphite Electrodes for High-Power Energy Storage Devices
PublikacjaHerein we present a study on polymer-derived silicon oxycarbide (SiOC)/graphite composites for a potential application as an electrode in high power energy storage devices, such as Lithium-Ion Capacitor (LIC). The composites were processed using high power ultrasound-assisted sol-gel synthesis followed by pyrolysis. The intensive sonication enhances gelation and drying process, improving the homogenous distribution of the graphitic...
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Energy requirements for methods improving gas detection by modulating physical properties of resistive gas sensors
PublikacjaAbstract. One of the most important disadvantage of resistive gas sensors is their limited gas selectivity. Therefore, various methods modulating their physical properties are used to improve gas detection. These methods are usually limited to temperature modulation or UV light irradiation for the layers exhibiting photocatalytic effect. These methods cause increased energy consumption. In our study we consider how much energy...
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Integrated spatial and energy planning – importance of a problem for contemporary architects and urban planners with focus on environmental factors
PublikacjaAlong with respecting basic sustainable development goals, planners will also be obliged to meet more stringent provisions related to energy efficiency in the coming years. In Poland, a crucial year will be 2021, when the EU directive on the energy efficiency of buildings comes into force. In this matter, not only the characteristics of individual objects are of great importance, but their whole complexes and the overall approach...
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The application of TD-GC-FID technique for production of matrix-free reference materials
PublikacjaIn the last few years particular pressure is exerted on finding new analytical methods which would provide real possibilities of monitoring and control of the state of the environment. Intensive development of analytical techniques for measurements of gaseous media and the negative effects of BTX compounds make it necessary to produce new gaseous reference materials. To prepare the appropriate non- matrix reference material thermal...
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Virtual Whiteboard: A gesture-controlled pen-free tool emulating school whiteboard
PublikacjaIn the paper the so-called Virtual Whiteboard is presented which may be an alternative solution for modern electronic whiteboards based on electronic pens and sensors. The presented tool enables the user to write, draw and handle whiteboard contents using his/her hands only. An additional equipment such as infrared diodes, infrared cameras or cyber gloves is not needed. The user's interaction with the Virtual Whiteboard computer...
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Modelling of the Baumann turbine stage operation Part II. Free and kinetic vibrations
PublikacjaIn this paper has been presented a methodology of validation a novel mathematical model dedicated to evaluation and prediction of material degradation and demage of steam turbine elements such as blades, valves and pipes due to three mechanisms: stress-corosion, high-temperature creep and low-cyclic fatigue. The validation concept is based on an experimental setup manufactured in the Laboratory of Faculty of Mechanical and Power...
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Free-ranging domestic cats are characterized by increased metal content in reproductive tissues
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One‐Pot Synthesis of Selected P‐Vinylbenzyls under Solvent‐Free Conditions
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Free Energies of the Disassembly of Viral Capsids from a Multiscale Molecular Simulation Approach
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Chemical modification of tannins from Acacia mearnsii to produce formaldehyde free flocculant
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Development of free electron laser and accelerator technology in Poland (CARE and EuCARD projects)
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Novel cobalt-free BaFe1−xGdxO3−δ perovskite membranes for oxygen separation
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