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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublikacjaThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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Total cross section for low-energy electron scattering from formic acid, (HCOOH), molecules
PublikacjaTotal cross section (TCS) for low-energy electron scattering from formic acid molecules has been measured using electrostatic electron spectrometer working in linear transmission mode. Two local maxima centered around 1.7 eV and 7.8 eV have been observed and associated with resonant scattering processes.
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Reversible energy transfer between monomers and fluorescent dimers of rhodamine S in polyvinyl alcohol films
PublikacjaBezpromienisty transfer energii i jej pułapkowanie jest analizowane dla rodaminy S domieszkowanej w foliach PVA. Z analizy wynika że fluoryzujące dimery rodaminy S grają rolę niedoskonałych pułapek energii wzbudzenia. Dla najwyższych koncentracji barwnika wyniki doświadczalne wydajności kwantowej i anizotropii emisji nie mogą być wyjaśnione przy pomocy modelu pomijającego transfer powrotny energii do monomerów. Uwzględnienie transferu...
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On the use of the cumulative strain energy density for fatigue life assessment in advanced high-strength steels
PublikacjaIn this paper, the applicability of the cumulative strain energy density is explored as a fatigue indicator parameter for advanced high-strength steels subjected to strain-controlled conditions. Firstly, the cyclic stress-strain responses of nine steels, selected from three multiphase families, encompassing different elemental compositions and different heat treatment routes, were studied. Then, the predictive capabilities of the...
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A novel approach to energy safety improvement in the marine power plants with active power surge compensator
PublikacjaPaper raises a point of power surges and theirs adverse effects in the marine power plants. The article explains a source of surges appearance, and presents measurements carried out on a modern ship. It discusses effects of dynamic power transients on the ship’s energy safety. Finally it proposes, a novel approach for power surge elimination, based on medium voltage active conditioner. As well as it propose the topology and control...
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A Set of Low-power Microcontroller-based Modules Used for Testing of Small Energy Measurement Methods
PublikacjaEstimation of energy consumption of low-power devices is not widely discussed in the scientific literature, but this topic is getting more and more popular. Evaluation process of newly developed methods and instrumentation requires carefull treatment. In order to fulfill this niche, the set of micro-power microcontroller based devices was proposed. The devices represent typical energy consuption profiles and allow experimental verification...
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Energy Demand of Short-Range Inland Ferry with Series Hybrid Propulsion Depending on the Navigation Strategy
PublikacjaInterest in hybrid propulsion systems that can be used on small vessels has increased significantly in recent years. They can replace inefficient and environmentally burdensome conventional systems based on diesel engines. Hybrid propulsion has many advantages such as high energy efficiency and virtually noiseless operation, and therefore it fits well with the current trends of “green shipping” and “zero emission”. The aim of the...
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Influence of Different Biofuels on the Efficiency of Gas Turbine Cycles for Prosumer and Distributed Energy Power Plants
PublikacjaThe efficiency of a gas turbine can be affected by the use of different biofuels usually with a relatively Lower Heating Value (LHV). The paper evaluates the impact of calorific value of fuel on turbine performance and analyzes the possibilities of optimizing turbine construction from the point of view of maximum efficiency for a particular fuel. The several variants of design of small power microturbines dedicated to various biofuels...
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublikacjaThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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Mechatronics in the design of three wheeled mobile platform controlled by surveillance system at energy performance index
PublikacjaPraca jest poświęcona projektowaniu mechatronicznemu trójkołowej platformy mobilnej, sterowanej systemem nadzorowania bazującym na energetycznym wskaźniku jakości. Zdefiniowany zakres badań i silna nieliniowość obiektu wymagały niezawodnego systemu sterowania. Warunki deterministyczne i zastosowany algorytm wpłynęły na wybór metody opracowania systemu. Przedstawione techniki projektowania mechatronicznego i przeprowadzone warianty...
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Logistical Aspects of Energy Conversion Efficiency in Marine Steam Power Plants in Off-Design Conditions
PublikacjaThe paper presents logistical aspects of energy conversion efficiency in off-design conditions. The main part of the article is based on results of thermodynamic calculation for large propulsion steam turbine under partial loads. Calculations are made on extended mathematical model of two proposed steam turbine thermodynamic cycles using Stodola’s cone law. The conclusion based on calculation re-sults contains importance of off-design...
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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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Effect of Linear Energy and Microstructure on the Content of Residual Hydrogen in Welded Joints made of Superduplex Steels
PublikacjaThe article presents tests concerning the content of retained hydrogen present in FCAW and SAW welded joints made of superduplex steel. The use of various welding technologies resulted in the obtainment of welds having different microstructures and ferrite contents. Measurements of retained hydrogen present in joints (performed using the complete combustion method) revealed various contents of hydrogen in the base material and...
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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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A Model of Thermal Energy Storage According to the Convention of Bond Graphs (BG) and State Equations (SE)
PublikacjaThe main advantage of the use of the Bond Graphs method and State Equations for modeling energy systems with a complex structure (marine power plants, hybrid vehicles, etc.) is the ability to model the system components of different physical nature using identical theoretical basis. The paper presents a method of modeling thermal energy storage, which is in line with basic BG theory. Critical comments have been put forward concerning...
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Method of sum of power losses as a way for determining the ki coefficients of energy losses in hydraulic motor
PublikacjaThis paper shows application of the method of sum of power losses to determining energy losses which occur in hydraulic rotary motor in situation when not all laboratory data are at one’s disposal or when no use is made of data contained in catalogue charts. The method makes it possible to determine the coefficients ,ki , of energy losses occurring in the motor. The method of sum of power losses is based on the approach proposed...
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The Effect of Sterols on Amphotericin B Self-Aggregation in a Lipid Bilayer as Revealed by Free Energy Simulations
PublikacjaAmphotericin B (AmB) is an effective but toxic antifungal drug, known to increase the permeability of the cell membrane, presumably by assembling into transmembrane pores in a sterol-dependent manner. The aggregation of AmB molecules in a phospholipid bilayer is, thus, crucial for the drug’s activity. To provide an insight into the molecular nature of this process, here, we report an atomistic molecular dynamics simulation study...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublikacjaWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Comparison of Average Energy Slope Estimation Formulas for One-dimensional Steady Gradually Varied Flow
PublikacjaTo find the steady flow water surface profile, it is possible to use Bernoulli’s equation, which is a discrete form of the differential energy equation. Such an approach requires the average energy slope between cross-sections to be estimated. In the literature, many methods are proposed for estimating the average energy slope in this case, such as the arithmetic mean, resulting in the standard step method, the harmonic mean and...
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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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The energy consumption during the birch tree sap concentration process using the reverse osmosis system
PublikacjaBirch tree sap was concentrated by mens of the reversed osmosis technique. The energy consumption in a small-scale pilot apparatus was estimated. The threshold value for the water removal above which the specific energy consumption significantly increased was identified. Below the threshold value the reversed osmosis had low energy demand and could be an attractive method for the production of birch tree sap-based beverages.
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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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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublikacjaThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Formation of Protein Networks between Mucins: Molecular Dynamics Study Based on the Interaction Energy of the System
PublikacjaMolecular dynamics simulations have been performed for a model aqueous solution of mucin. As mucin is a central part of lubricin, a key component of synovial fluid, we investigate its ability to form cross-linked networks. Such network formation could be of major importance for the viscoelastic properties of the soft-matter system and crucial for understanding the lubrication mechanism in articular cartilage. Thus,the inter- and...
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Energy consumption optimization in wastewater treatment plants: Machine learning for monitoring incineration of sewage sludge
PublikacjaBiomass management in terms of energy consumption optimization has become a recent challenge for developed countries. Nevertheless, the multiplicity of materials and operating parameters controlling energy consumption in wastewater treatment plants necessitates the need for sophisticated well-organized disciplines in order to minimize energy consumption and dissipation. Sewage sludge (SS) disposal management is the key stage of...
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Towards large-scale application of nanoporous materials in membranes for separation of energy-relevant gas mixtures
PublikacjaMembranes containing nanoporous materials (such as zeolites, metal–organic materials and 2D materials such as graphene derivatives) may allow more efficient separation of gas mixtures relevant to emerging energy technologies. For example, such membranes could be applied in the separation of gases containing mixtures of carbon dioxide (CO2) and hydrogen (H2). However, these membranes are currently at a relatively low technology...
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Technical and economic analysis of energy storage in the compressed air technology with low capacity for the production plant
PublikacjaCompressed air energy storage (CAES) system is a promising technology due to its numerous advantages, including relatively low maintenance cost, a long lifespan and high operational flexibility. This article explores the possibility of designing a CAES power plant as a source of electricity and heat for an existing industrial plant. The study involves the technical analysis of the power plant parameters and the economic analysis...
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Heat transfer enhancement of modular thermal energy storage unit for reversible heat pump cooperation
PublikacjaThe following article presents experimental comparison research on a hexagonal shelland-tube latent thermal energy storage (TES). Such shape of a shell was deliberately chosen instead of a cylindrical one due to its high modularity and with intent for future applications in automobiles (EV and PHEV) air conditioning systems (HVAC). Two geometries of helical coils, acting as tubes, were studied in this article. One was a simple...
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Improved energy management technique in pipe-embedded wall heating/cooling system in residential buildings
PublikacjaEffective and environmentally responsive techniques of energy management in residential buildings are desirable for the resulting reduction of energy costs and consumption. In this paper, an improved and efficient technique of energy management in pipe-embedded wall heating/cooling systems, called the Thermal Barrier, is described. Specifically, the Thermal Barrier is a technique focused on the management and control of heat...
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Improved energy management technique in pipe-embedded wall heating/cooling system in residential buildings
PublikacjaEffective and environmentally responsive techniques of energy management in residential buildings are desirable for the resulting reduction of energy costs and consumption. In this paper, an improved and efficient technique of energy management in pipe-embedded wall heating/cooling systems, called the Thermal Barrier, is described. Specifically, the Thermal Barrier is a technique focused on the management and control of heat supply...
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Techniczne i ekonomiczne aspekty wykorzystania przekształtników dwukierunkowych w praktyce
PublikacjaNowoczesne napędy z silniami indukcyjnymi klatkowymi i przemiennikami częstotliwości stanowią blisko 90% napędów elektrycznych z regulowana prędkością kątową. Dzięki zastosowaniu nowych typów silników, przekładni oraz nowych generacji tranzystorów IGBT w przekształtnikach napędy te są energooszczędne, zaś koszt ich instalacji zwraca się średnio w ciągu kilkudziesięciu miesięcy od chwili zainstalowania. W 95% są to napędy z jednokierunkowym...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation
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Wykonanie instalacji elektrycznej a jakość energii elektrycznej. - Tł. z Plant Engineering. - Tyt. oryg.: Driving electrical reliability in power quality solutions / Mike Johnson
PublikacjaW arytukule przedstawiono rozwiązania techniczne instalacji elektrycznej poprawiające jakość energii elektrycznej. Podano charakterystykę urządzeń ograniczających przepięcia i zapewniających bezprzerwowe zasilanie odbiorników enetrgii elektrycznej.
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Odpowiedź na polemikę K. Głowackiego do artykułu ''porównanie łącznych kosztów ponoszonych przez odbiorce ciepła w warunkach lokalnej konkurencji nośników energii''.
PublikacjaWyjaśniono watpliwości dotyczące sposobu wyznaczania kosztów ciepła w okolicznościach modelowych.
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Ocena zużycia energii i emisji do środowiska szkodliwych związków chemicznych w procesie wytwarzania opakowań do spożywczych napojów gazowanych i niegazowanych
PublikacjaW niniejszym artykule przedstawiono ocenę zużycia energii i emisji szkodliwych substancji związków chemicznych do środowiska w procesie wytwarzania pojemników przeznaczonych do przechowywania spożywczych napojów gazowanych i niegazowanych. W ocenie brano pod uwagę puszki aluminiowe, butelki szklane i butelki PET. Z przeprowadzonej analizy wynika, że najmniejszym zużyciem energii w procesie wytwarzania cechują się butelki PET, natomiast...
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Rozwój technologii fotowoltaicznych na świecie w dobie ogólnoświatowego kryzysu
PublikacjaDecentralizacja wytwarzania energii, wzrost udziału wykorzystania energii ze źródeł odnawialnych i rozwój kogeneracyjnych systemów wytwarzania energii elektrycznej i ciepła w wielu krajach postrzegane jest jako przyszłość energetyki. Bezpieczny długoterminowy plan rozwoju energetyki, wychodzący naprzeciw ochronie środowiska wymaga spełnienia dwóch warunków:• spadku podaży energii ze źródeł konwencjonalnych,• zwiększenia udziału...
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Badania potencjału energetycznego pozostałości poprodukcyjnej z hodowli boczniaka
PublikacjaNiniejsze opracowanie dotyczy badań potencjału energetycznego biomasy, obecnie trzeciego co do wielkości naturalnego źródła energii na świecie. Energia zawarta w biomasie jest najmniej kapitałochłonnym źródłem energii odnawialnej. Jej pozyskiwanie nie wiąże się z wprowadzaniem zanieczyszczeń do środowiska, przy okazji istnieje możliwość pozbycia się kłopotliwych odpadów poprodukcyjnych. Jednak pozyskiwanie energii z biogazu jest...
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Opłacalność bloków skojarzonych gazowo-parowych : wybrane aspekty
PublikacjaRozwój gospodarki powoduje wzrost zapotrzebowania na energie elektryczną. Zmiany klimatyczne pojawiające się wraz rozwojem cywilizacji zmuszają do racjonalnego korzystania ze środowiska naturalnego. Uwzględniając wspomniane aspekty polska energetyka systemowa musi zapewnić płynność i bezpieczeństwo dostaw energii elektrycznej oraz stabilną prace krajowego systemu elektroenergetycznego. Przy starzejącej się infrastrukturze i obserwowanych...
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Gaz ziemny w światowych prognozach energetycznych
PublikacjaPrzedstawiono udział gazu ziemnego w pokrywaniu zapotrzebowania na energię obecnie i prognozowany na przyszłość. Omówiono perspektywy wykorzystania gazu do produkcji energii elektrycznej.
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The Economic Dimension of Using the Integration of Highway Sound Screens with Solar Panels in the Process of Generating Green Energy
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Increasing Energy Efficiency and Productivity of the Comminution Process in Tumbling Mills by Indirect Measurements of Internal Dynamics—An Overview
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Low-energy (0.1 eV) electron attachment S?S bond cleavage assisted by Coulomb stabilization
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Probability estimation of the city’s energy efficiency improvement as a result of using the phase change materials in heating networks
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Impact of Investments and R&D Costs in Renewable Energy Technologies on Companies’ Profitability Indicators: Assessment and Forecast
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Accelerator Technology and High Energy Physics Experiments, Photonics Applications and Web Engineering, Wilga, May 2012
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Evaluation of the Combination of Muscle Energy Technique and Trigger Point Therapy in Asymptomatic Individuals with a Latent Trigger Point
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Excitation energy transfer in partly ordered polymer films differing in donor and acceptor transition moments orientation
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High yield conversion of biowaste coffee grounds into hierarchical porous carbon for superior capacitive energy storage
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Facile synthesis of porous iron oxide/graphene hybrid nanocomposites and potential application in electrochemical energy storage
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