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Wyniki wyszukiwania dla: THEORETICAL CALCULATIONS
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New Generation of Water lubricated Foil bearing - Numerical Models and Experimental Verification
PublikacjaIn the paper a new idea of foil water lubricated bearing and methodology of hydrodynamic characteristics calculations is presented. To assesses the theoretical characteristics of these bearings two different computer models were built. First is structural model coupled with fluid model. It takes into account: fluid flow in the deformed fluid gap, specific design of bearing support and friction in bearing support. The second is...
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Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublikacjaWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
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An improved method for flow boiling heat transfer with account of the reduced pressure effect
PublikacjaIn the paper are presented the results using the authors own model to predict heat transfer coefficient during flow boiling. The model has been tested against a large selection of experimental data to investigate the sensitivity of the in-house developed model. In the work are presented the results of calculations obtained using the semi-empirical model on selected experimental flow boiling data of the refrigerants: R134a, R1234yf,...
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Comparison of calculated and measured thermal stresses in asphalt concrete
PublikacjaThe paper presents the comparison of calculated and measured thermal stresses induced in restrained asphalt concrete specimens by cooling. Thermal stresses were measured in the Thermal Stress Restrained Specimen Test. The calculations of thermal stresses were performed with the use of a theoretical formula based on the temperature dependent stiffness modulus. The novel approach applied in this paper was that the stiffness modulus...
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Four-body recombination in organic bulk heterojunction solar cells: an alternative interpretation
PublikacjaWe demonstrate a new interpretation of the previously reported quadrimolecular recombination in organic bulk heterojunction solar cells. It is suggested that the recently described (Szmytkowski 2012 Phys. Status Solidi RRL 6 300) interaction between exciton and electron–hole Langevin bound pair formed across the donor–acceptor interface is a four-particle process. This is in opposition to the treatment of this effect as a three-particle...
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Influence of excitons interaction with charge carriers on photovoltaic parameters in organic solar cells
PublikacjaWe report on theoretical analysis of excitons annihilation on charge carriers in organic solar cells. Numerical calculations based on transient one-dimensional drift-diffusion model have been carried out. An impact of three quantities (an annihilation rate constant, an exciton mobility and a recombination reduction factor) on current density and concentrations of charge carriers and excitons is investigated. Finally, we discuss...
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The Doppler effect in a bistatic system for determining the position of moving targets
PublikacjaThe article presents the theoretical analysis and the results of numerical calculations of the Doppler effect it occurs in a system designed to determine the position and speed of a moving target. The transmitter is the source of the signal and it emits a sinusoidal, acoustic and continuous wave. Signal reflected off a moving target is received by four hydrophones. Based on the signals, four Doppler shifts are determined and inserted...
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Nośność konstrukcji gruntowo-łukowej prefabrykowanego wiaduktu w świetle obliczeń numerycznych i badań „in situ”
PublikacjaWartykule przedstawiono analizy przeprowadzone dla wiaduktu WK-15 Pomorskiej Kolei Metropolitalnej wykonanego w technologii łuków prefabrykowanych przykrytych gruntem (system TechSpan). W celu weryfikacji obliczeń numerycznych wykonano próbne obciążenie konstrukcji. Przedstawiono wyniki pomiarów naprężeń i prezmieszczeń konstrukcji. Odniesiono się krytycznie do zastosowanego modelu obliczeniowego.
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Ternary Bismuthide SrPtBi2: Computation and Experiment in Synergism to Explore Solid-State Materials
PublikacjaA combination of theoretical calculation and the experimental synthesis to explore the new ternary compound is demonstrated in the Sr–Pt–Bi system. Because Pt–Bi is considered as a new critical charge-transfer pair for superconductivity, it inspired us to investigate the Sr–Pt–Bi system. With a thorough calculation of all the known stable/metastable compounds in the Sr–Pt–Bi system and crystal structure predictions, the thermodynamic...
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Electron-impact dissociation of molecular hydrogen: benchmark cross sections
PublikacjaWe present a joint experimental and theoretical investigation of a fundamental process in atomic and molecular physics: electron impact excitation of molecular hydrogen’s (H2) most dominant transition (X1Σg+ → b3Σu+). Excitation of this state is by far the main channel that causes the dissociation of H2 into H + H atoms at low energies. The Convergent Close-Coupling (CCC) calculations predicted significant, more than factor of...
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CFD and FEM model of an underwater vehicle propeller
PublikacjaDuring the project execution of design and optimization the Remotely Operated Vehicle (ROV) research on its propulsion has been carried out. The entire project was supported by CFD and FEM calculations, which taking into account the characteristics of underwater vehicle. One of the tasks was to optimize the semi-open duct for horizontal propellers, which provided propulsion and controllability in horizontal plane. In order to...
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Comparison of predictive methods for flow boiling heat transfer in conventional channels and minichannels - the effect of reduced pressure
PublikacjaIn the paper are presented the results of follow on studies from [1]–[3] using authors own model to predict heat transfer coefficient during flow boiling. The model has been tested against a large selection of experimental data collected from various researchers to investigate the sensitivity of the in-house developed model. The collected experimental data came from various studies from literature and were conducted for the full...
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Contribution of dynamic vehicle loads to pavement failure
PublikacjaPavement surfaces are not ideally even, which causes dynamic loads of vehicle axles. Distribution of dynamic loads of a given axle is similar to normal distribution and can be described by static load and dynamic load coefficient. The dynamic load coefficient depends on road profile, vehicle speed, properties of suspensions and static load of axle. While for a given road section road profile remains constant, vehicle speed and...
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Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
PublikacjaThe article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The studied molecule was calculated as the effective two-electron problem, in which only the valence electrons of the molecule are explicitly taken into account. The remaining electrons with atomic nuclei...
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The effect of cable duct diameter on the ampacity of high-voltage power cables
PublikacjaThe ampacity of power cables depends, among others, on the conditions of heat dissipation from the cable to the environment. Cables are usually laid directly in the ground, but in some sections, they may be placed in ducts, which adversely affects the ampacity of the cable line. The paper presents heat transfer phenomena for cables installed in pipe-type ducts filled with air. The effect of cable duct diameter on this ampacity...
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Hydrogen production from wood waste by mean of dark fermentation
PublikacjaThe utilization of wood wastes in clean and green chemistry method like by mean of dark fermentation, is a highly desired solution of waste management. In the article model for the estimation hydrogen potential of wood waste is given. The model has been used to calculate the potential theoretical hydrogen mass that can be produced from wood wastes in Pomerania and Silesia: pine, spruce, fir, beech and oak. In the introduction,...
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The CFD analysis of influence the start of fuel injection (SOI) on combustion parameters and exhaust gas composition of the marine 4-stroke engine
PublikacjaThe paper presents a theoretical analysis of the impact of injection timing on the parameters of the combustion process and the composition of exhaust gas from a 4-stroke engine designed to shipbuilding. The analysis was carried out based on a three-dimensional multi-zone model of the combustion process. This model has been prepared on the basis of properties of the research facility. The input data to the model were obtained through...
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The Concept of Accuracy Analysis of the Vertical Displacements Gained from the Hydrostatic Levelling Systems’ Measurements
PublikacjaAbstract: Nowadays, hydrostatic levelling is a widely used method for the vertical displacements’ determinations of objects such as bridges, viaducts, wharfs, tunnels, high buildings, historical buildings, special engineering objects (e.g., synchrotron), sports and entertainment halls. The measurements’ sensors implemented in the hydrostatic levelling systems (HLSs) consist of the reference sensor (RS) and sensors located on the...
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The thermal effort during marine steam turbine flooding with water
PublikacjaThe work discussed an extreme case of cooling a steam turbine. The ship's steam turbine was used as an example. In marine transport units with low-speed engines dominate, however, there are also units with steam turbines. An example of analysed marine steam turbine is shown in Fig. 1. When considering the issue of cooling steam turbines, it is necessary to estimate the extreme conditions that may occur during operation of the turbine....
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Analiza odcinków generujących straty czasu w transporcie tramwajowym
PublikacjaW czasie analiz i studiów przedwykonawczych dotyczących budowy nowych i modernizacji istniejących tras tramwajowych, bardzo często zakładane są nierealne czasy przejazdów, które weryfikuje się już po oddaniu linii do eksploatacji i przeprowadzeniu badań obserwacyjnych. Problematyczne wydaje się określenie, przed zakończeniem inwestycji, rzeczywistej prędkości jazdy, jak również strat czasu powstających w miejscach potencjalnych...
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Low energy inelastic electron scattering from carbon monoxide: I. excitation of the a3Π, a’3Σ+ and AΠ1 electronic states.
PublikacjaDifferential scattering cross sections for electron excitation of the three lowest excited electron states of carbon monoxide are obtained experimentally using low-energy electron energy-loss spectroscopy and theoretically using the R-matrix method. The incident electron energies range from near-threshold of 6.3 eV to 20 eV. Experimental scattering angles range from 20◦ to 120◦. The normalization of the experimental cross sections...
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Modeling the electrical characteristics of P3HT:PCBM bulk heterojunction solar cells: Influence of the interface recombination
PublikacjaThe interface recombination of charge carriers located in the material with lower permittivity (Szmytkowski 2009 Chem.Phys.Lett. 470 123) has been implemented for the first time to calculate the electrical characteristics of the donor-acceptor P3HT:PCBM bulk heterojunction solar cell. In order to estimate the photocurrent density in this system, a simple analytical formula has been derived. We have obtained a very good agreement...
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A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublikacjaIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
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Accuracy Analysis of Determination the Vertical Displacements in Unstable Reference System
PublikacjaMeasurements of horizontal and vertical displacements are carried out mostly based on reference points identified as fixed. In surveying practice there may be some situations in which there is not possible to perform the measurements with reference to stable points or the difficulties in identification of points’ stability may arise. Accuracy analysis based on the covariance matrices have a special role in this process. In presented...
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Protein thermal stabilization in aqueous solutions of osmolytes
PublikacjaProteins’ thermal stabilization is a significant problem in various biomedical, biotechnological, and technological applications. We investigated thermal stability of hen egg white lysozyme in aqueous solutions of the following stabilizing osmolytes: Glycine (GLY), N-methylglycine (NMG), N,N-dimethylglycine (DMG), N,N,N-trimethylglycine (TMG), and trimethyl-N-oxide (TMAO). Results of CD-UV spectroscopic investigation were compared...
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Load testing of a suspended footbridge in Radom (Poland)
PublikacjaThe footbridge in Radom is a suspended bridge of an interesting architectural form. The structure was de-signed for 4 kN/m2 of crowd loading. Dynamic calculations were not included in the design. The structure’s acceptance tests took place on the 14th of October 2016. The behaviour of the footbridge in static testing met the expectations. Unfortunately, as a result of dynamic tests, dangerous behaviour of the footbridge was revealed....
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Urchin-like TiO2 structures decorated with lanthanide-doped Bi2S3 quantum dots to boost hydrogen photogeneration performance
PublikacjaThe formation of heterojunctions between wide- and narrow-bandgap photocatalysts is commonly employed to boost the efficiency of photocatalytic hydrogen generation. Herein, the photoactivity of urchin-like rutile particles is increased by decorating with pristine as well as Er- or Yb-doped Bi2S3 quantum dots (QDs) at varied QD loadings (1–20 wt%) and doping degrees (1–15 mol%), and the best hydrogen evolution performance is achieved at...
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Praktyczne zastosowania analizy wrażliwości na przykładzie projektowania tarczy
PublikacjaW pracy przedstawiono przykłady zastosowania analizy wrażliwości przy projektowaniu tar-czy. Badano wpływ zmian grubości obszarów tarczy – zmiennej projektowej – na przemiesz-czenie wybranego punktu tarczy – zmiennej stanu. Zaproponowano metodę projektowania polegającą na zwiększeniu grubości obszarów tarczy, których wpływ na wariację zmiennej stanu (wrażliwość) jest największa. Do obliczeń numerycznych korzystano z metody elemen-tów...
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Rotordynamic characteristics of a chamber seal
PublikacjaThe paper presents the results of numerical and experimental investigations into pressure forces generated in a turbine labyrinth seal of a modernized type. The experiments were performed on a single-stage air model turbine of the impulse type. The experiments were performed on a single-stage air model turbine of the impulse type. The experimental data were compared with theoretical results obtained by means of CFD Fluent Code....
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Application of the fluid–structure interaction technique for the analysis of hydrodynamic lubrication problems.
PublikacjaFluid–structure interaction technique seems to be one of the most promising possibilities for theoretical analysis of lubrication problems. It allows coupling of different physical fields in one computational task, taking into account the interaction between them. In this article, two sets of fluid–structure interaction analyses focusing on the bearing performance evaluation are presented. One analysis was applied to a water-lubricated...
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Modelling of Longitudinal Elastic Wave Propagation in a Steel Rod Using the Discrete Element Method
PublikacjaThe paper deals with the issue of modelling elastic wave propagation using the discrete element method (DEM). The case of a longitudinal wave in a rod with a circular cross-section was considered. A novel, complex algorithm consisting of the preparation of models and simulation of elastic waves was developed. A series of DEM models were prepared for simulations, differing in discretisation and material parameters. Additional calculations...
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Strong-coupling superconductivity of SrIr2 and SrRh2 : Phonon engineering of metallic Ir and Rh
PublikacjaExperimental and theoretical studies on superconductivity in SrIr2 and SrRh2 Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with Tc = 6.07 and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by 5d (4d) electrons of Ir (Rh), with Sr atoms playing the role of electron donors....
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Critical review of propeller performance scaling methods based on model experiments and numerical calculations
PublikacjaThe article presents the results of experimental and theoretical investigation of propeller scale effects. The objective of this investigation is to test the adequacy of the methods currently used and to develop possible improvement of the methods.New approaches to the problem and new procedures to account for the propeller scale effects are suggested. The description of the underlying experimental and theoretical research is included.
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LattE- first-principles lattice energy calculations
PublikacjaCrystal engineering is currently attracting much interest. Its aim is to create materials of predefined properties fulfilling the requirements imposed by the applications. There are several parameters describing crystal structures, but the most important one is probably the energy of a crystal lattice. It is the energy released by the system when crystalline solid is formed out of molecules or ions in gaseous phase. Approximate...
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublikacjaHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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Superconducting SrSnP with Strong Sn–P Antibonding Interaction: Is the Sn Atom Single or Mixed Valent?
PublikacjaThe large single crystals of SrSnP were prepared using Sn self-flux method. The superconductivity in the tetragonal SrSnP is observed with the critical temperature of ∼2.3 K. The results of a crystallographic analysis, superconducting characterization, and theoretical assessment of tetragonal SrSnP are presented. The SrSnP crystallizes in the CaGaN structure type with space group P4/nmm (S.G. 129, Pearson symbol tP6) according...
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Reliability of production machines in the bakery industry – theoretical and practical issues
PublikacjaThe aim of the article is to present probabilistic models, which were then used to analyze the reliability of production machines in the baking industry. The author conducted research in the period from January 2, 2016 to December 31, 2018 regarding the measurement of reliability of a traditional production system based on a probabilistic concept. Due to the limited scope of the article, reliability calculations for a set of thermo-oil...
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Predicting sulfanilamide solubility in the binary mixtures using a reference solvent approach
PublikacjaBackground. Solubility is a fundamental physicochemical property of active pharmaceutical ingredients. The optimization of a dissolution medium aims not only to increase solubility and other aspects are to be included such as environmental impact, toxicity degree, availability, and costs. Obtaining comprehensive...
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Local electrochemical impedance spectroscopy in dynamic mode of galvanic coupling
PublikacjaA novel method that combines local electrochemical impedance spectroscopy and mapping in dynamicmode is proposed. Method was validated over two galvanic couplings, namely zinc/copper and cad-mium/copper. Impedance spectrum response for all measuring points was obtained by means ofsimultaneous implementation of selected range of frequencies. Proposed method allows the measure-ment in a more time-efficient manner, at the same time...
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Au–Si plasmonic platforms: synthesis, structure and FDTD simulations
PublikacjaPlasmonic platforms based on Au nanostructures have been successfully synthesized by directional solidification of a eutectic from Au and the substrate. In order to determine homogeneous shape and space distribution, the influence of annealing conditions and the initial thickness of the Au film on the nanostructures was analyzed. For the surface morphology studies, SEM and AFM measurements were performed. The structure of platforms...
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Low energy inelastic electron scattering from carbon monoxide: II. Excitation of the b3Σ+, j3Σ+, B1Σ+, C1Σ+ and E1Π Rydberg electronic states
PublikacjaIn this second part of a two part paper (first part: Zawadzki et al (2020 J. Phys. B: At. Mol. Opt. Phys. 53 165201)) we present differential scattering cross sections for excitation of several Rydberg electronic states of carbon monoxide by electron impact. The first part concerned the low-lying valence states of CO. In the present study cross sections are obtained experimentally using low-energy electron energy-loss spectroscopy...
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DESIGN AND THEORETICAL ANALYSIS OF A PROTOTYPE TILTING-PAD RADIAL BEARING WITH ADJUSTABLE CLEARANCE
PublikacjaThe article introduces a design and analysis results of a prototype ORC (organic Rankine cycle) turbo generator rotor assembly of 300kW power, supported by tilting-pad bearings of original design. The calculations were performed for a prototype turbo generator rotor. The shaft of this machine is supported with two radial bearings, lubricated with an unusual lubricant – a low-boiling-point agent. The main objective of the presented...
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ELECTRON-IMPACT IONIZATION CROSS SECTIONS CALCULATIONS FOR PURINE AND PYRIMIDINE MOLECULES
PublikacjaCross sections for electron-impact ionization of purine and pyrimidine molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV. Ionization cross section for purine molecules is 1.4 times higher than for pyrimidine molecules. Acceptable agreement between experimental and theoretical ionization data for pyrimidine molecule has been found.
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Anionic states of C6Cl6 probed in electron transfer experiments
PublikacjaThis is the first comprehensive investigation on the anionic species formed in collisions of fast neutral potassium (K) atoms with neutral hexachlorobenzene (C6Cl6) molecules in the laboratory frame range from 10 up to 100 eV. In such ion-pair formation experiments, we also report a novel K+ energy loss spectrum obtained in the forward scattering giving evidence of the most accessible electronic states. The vertical electron affinity...
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On design and analysis of flow characteristics of the last stage of gas-steam turbine
PublikacjaResearch regarding blade design and analysis of flow have been conducted for over a century. Meanwhile new concepts and design approaches were created and improved. Advancements in information technologies allowed to introduce computational fluid dynamics (CFD) and computational flow mechanics (CFM). Currently a combination of mentioned methods is used for design of turbine blades. These methods enabled us to improve flow efficiency...
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COMPARISON OF PREDICTIVE METHODS FOR FLOW BOILING HEAT TRANSFER IN CONVENTIONAL CHANNELS AND MINICHANNELS – THE EFFECT OF REDUCED PRESSURE
PublikacjaIn the paper are presented the results of follow on studies from [1]–[3] using authors own model to predict heat transfer coefficient during flow boiling. The model has been tested against a large selection of experimental data collected from various researchers to investigate the sensitivity of the in-house developed model. The collected experimental data came from various studies from literature and were conducted for the full...
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Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies
PublikacjaA series of new linear trisubstituted N1-acylamidrazones have been investigated using a variety of analytical techniques and theoretical calculations to check the influence of the type of N1-acyl substituent on the resonance forms and conformational behavior in the solid state and in solution. The 1D- and 2D-NMR experiments, supported by computational studies, revealed that in solution all amidrazones exhibit conformational syn/anti...
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Theoretical analysis of the cable-stayed bridge over brda river in Bydgoszcz
PublikacjaThe topic of this article is the numerical analysis carried out for the cable-stayed tram (road) bridge over Brda river in Bydgoszcz. The goal of numerical studies was the verification of project assumptions and construction solutions elaborated by the autonomous team. The bridge calculations were conducted on three independent FEM models The internal forces and the elements effort under different loading schemes were examined....
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The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublikacjaThe S1 excited state properties as well as the associated absorption and resonance Raman (RR) spectra of trans-porphycene are investigated by means of time dependent density functional theory calculations. The relative magnitude of the Franck-Condon (FC) contribution and of the Herzberg-Teller (HT) effects is evaluated for both the absorption and RR intensities. The accuracy of the calculated spectra is assessed by employing different...
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DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
PublikacjaInteractions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide...