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Wyniki wyszukiwania dla: ab initio calculations
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Entrepreneurial Business and Economic Review
PublikacjaThe objective of the article is to explore internationalisation patterns of family high-tech firms, especially their internationalisation motives, intensity, speed, and entry modes. The empirical part adopts a quantitative approach. The results of the survey are presented on the sample of 263 high-tech production firms from Poland, including 101 family firms. The survey was conducted in all 16 Polish regions. The calculations from...
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Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies
PublikacjaNystatin A1, a polyene macrolide antifungal antibiotic, in a slightly basic or acidic solution undergoes an intramolecular transformation, yielding a structural isomer, the translactonization product, iso-nystatin A1 with lactone ring diminished by two carbon atoms. Structural evidence is provided by advanced NMR and Mass Spectrometry (MS) studies. Molecular dynamics simulations and quantum mechanics calculations gave the insight...
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Experimental and numerical analysis of wave propagation in ground anchors
PublikacjaThe article focuses on wave propagation phenomenon in ground anchors. The main aim of the investigation is the non-destructive diagnostics and the assessment of the state of ground anchors, using the guided wave propagation method. Laboratory models of anchors with different lengths of the anchor body were tested and voltage signals of propagating waves were registered at several locations. For all tested specimens corresponding...
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Internationalization patterns of Polish family high-tech firms
PublikacjaThe objective of the article is to explore internationalisation patterns of family high-tech firms, especially their internationalisation motives, intensity, speed, and entry modes. The empirical part adopts a quantitative approach. The results of the survey are presented on the sample of 263 high-tech production firms from Poland, including 101 family firms. The survey was conducted in all 16 Polish regions. The calculations from...
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Analysis of degaussing process of ferromagnetic objects
PublikacjaResults of the analytical and numerical analysis of the degaussing process phenomena of ferromagnetic objects were presented in this paper. The screening effectiveness of the electromagnetic field of magnetic screens in most cases depends on thickness, conductivity, magnetic permeability of the screen and angular frequency of degaussing currents. The magnetic field inside thin-layer ferromagnetic object was presented in this paper....
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Theory of valence-band and core-level photoemission from plutonium dioxide
PublikacjaThe correlated-band theory implemented as a combination of the local-density approximation with the dynamical mean-field theory is applied to PuO2. An insulating electronic structure, consistent with the experimental valence-band photoemission spectra, is obtained. The calculations yield a nonmagnetic ground state that is characterized by a noninteger filling of the plutonium 5f shell. The noninteger filling as well as the satellites...
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Magnetizabilities of relativistic hydrogenlike atoms in some arbitrary discrete energy eigenstates
PublikacjaWe present the results of numerical calculations of magnetizability of the relativistic hydrogenlike atoms. Exploiting the analytical formula for $\chi$ we have found the values of the magnetizability for the ground state and for the first and the second set of excited states of the atom. The results for ions with the atomic number $0
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A study of the photoelectron spectra of α-tetrahydrofurfuryl alcohol over the outer valence energy region (9–25 eV)
PublikacjaPhotoelectron spectra of α-tetrahydrofurfuryl alcohol (THFA) molecules, the threshold spectrum and spectra for constant photoelectron energies, have been measured over the photon energy range 9–25 eV. Analysis of the photoelectron spectra has allowed overlapping photoionization bands to be separated, tentatively assigned and their vertical photoionization energies to be determined. These energies are compared with existing theoretical...
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Numerical Modelling of Shear Localization in Granular Bodies using MPM and Non-local Hypoplasticity
PublikacjaThe paper deals with modelling of shear localization in granular bodies by means of an enhanced hypoplastic constitutive model and material point method (MPM). The calculations were carried out for plane strain compression of non-cohesive sand. In order to properly capture the width and inclination of shear zones, the constitutive model was enriched by a characteristic length of micro-structure by means of a non-local theory....
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A device for measuring heat flux on a rocket skin surface
PublikacjaA novel method for measuring heat flux on a surface is presented. It is an extensive upgrade of currently known heat flux sensors used mostly in civil engineering. As the thermal environment of launchers, especially sounding rocket can have an enormous negative effect on payload, careful considerations have to be taken in the process of preparing insulation. Usually, thermal data provided by the launch vehicle manufacturer is limited...
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublikacjaThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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Image-based numerical modeling of the tensile deformation behavior and mechanical properties of additive manufactured Ti–6Al–4V diamond lattice structures
PublikacjaThis work concerns the numerical modeling of the deformation process and mechanical properties of structures obtained by the additive method laser power bed fusion (LPBF). The investigation uses diamond structures of Ti–6Al–4V titanium implantation alloy with various relative densities. To model the process of tensile deformation of the materials, geometric models were used, mapping the realistic shape of the examined structures....
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DETERMINATION OF THE AERODYNAMIC DRAG OF PNEUMATIC LIFE RAFTS AS A FACTOR FOR INCREASING THE RELIABILITY OF RESCUE OPERATIONS
PublikacjaEnsuring the safety of ship crews at sea is of the utmost importance. Life rafts are one of the basic components of any seagoing vessel and ensuring their stability is an important component of maritime research. This study concerns the determination of the aerodynamic drag coefficients of pneumatic life rafts in a full range of wind speed and directions. The drag coefficients are based on full-scale experimental studies and numerical...
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Analysis of Historic Brick Walls' Strengthening Methods
PublikacjaAnalysis of the behavior of historical brick walls is difficult and complicated. However, computer calculations are being increasingly used in the evaluation of cultural heritage buildings and some of their elements. The aim of this paper is to analyze the historic brick walls reinforcement. Different methods of strengthening are compared and discussed. Numerical analysis, based on finite element method, was conducted on the assumption...
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Evolution of Ag nanostructures created from thin films: UV–vis absorption and its theoretical predictions
PublikacjaAg-based plasmonic nanostructures were manufactured by thermal annealing of thin metallic films. Structure and morphology were studied using scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HR-TEM) and X-ray photoelectron spectroscopy (XPS). SEM images show that the formation of nanostructures is influenced by the initial layer thickness as well as the...
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Load-settlement characteristics of piles working in a group
PublikacjaLoad-settlement characteristic (Q-s) of an axially loaded pile can be empirically determined from a static pile load test or on the basis of calculations using, e.g. transfer functions or numerical methods (FEM). The transfer functions method usually rely on empirical data, i.e. the function parameters are determined on the basis of numerous pile test results. Thus this method takes into account pile installation technology and...
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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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Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties
PublikacjaUsing 1H-imidazole-4-carboxylic acid (4imCOOH) and 1H-pyrazole-3-carboxylic acid (3pyrCOOH) coordination polymers [Pb(4imCOO)2(H2O)]n (1) and [Pb2(3pyrCOO)4]n (2) were constructed. Obtained polymers were characterized via FT-IR, X-ray, PL and TG methods. The coordination polyhedron around Pb(II) in 1 is described as distorted pentagonal pyramid with hemidirected coordination sphere (based on DFT calculations). Compound 2 consists...
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The importance of anchoring ligands of binuclear sensitizers on electron transfer processes and photovoltaic action in dye-sensitized solar cells
PublikacjaThe relatively low photon-to-current conversion efficiency of dye-sensitized solar cells is their major drawback limiting widespread application. Light harvesting, followed by a series of electron transfer processes, is the critical step in photocurrent generation. An in-depth understanding and fine optimization of those processes are crucial to enhance cell performance. In this work, we synthesize two new bi-ruthenium sensitizers...
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Design Analysis of Micro Gas Turbines in Closed Cycles
PublikacjaThe problems faced by designers of micro-turbines are connected with a very small volume flow rate of working media which leads to small blades’ height and high rotor speed. In the case of gas turbines this limitation can be overcome by the application of a closed cycle with very low pressure at the compressor inlet (lower than atmospheric pressure). In this way we may apply a micro gas turbine unit of accepted efficiency to work...
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Reactive imines: Addition of 2-aminopyrimidine to the imine bond and isolation of the aminal from the equilibrium mixture aminal/imine
PublikacjaThe reaction between o-vanillin and 2-aminopyrimidine leads to the formation of a single crystalline product: aminal, 1, which results from the reaction of the initially formed imine with 2-aminopyrimidine. The reaction was followed by the NMR spectroscopy. VT NMR studies prove that in solution two major species are observed: aminal and imine and their ratio depends on the time or/and temperature with the imine content increasing...
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Arch bridges under test loadings
PublikacjaThis paper illustrates experience in arch bridges test loadings of the research team of Department of Structural Mechanics and Bridge Structures from the Gdansk University of Technology. The presented calculations results constist the analysis of spatial construction schemes made using the finite elements method (FEM) and its comparison to the field studies. Arch bridges with the longest spans, visualisation of the computational...
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Spatial Modelling in Environmental Analysis and Civil Engineering
PublikacjaAs can be seen, Spatial Modelling in Environmental Analysis and Civil Engineering applies to a multitude of applications. In an attempt to bring the topic closer to potential readers, the special issue referred to security methods, optimization of calculations, conducting measurements and empirical tests. Each article has made an original contribution to the development of practical science that can be replicated by researchers...
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Effect of GIS parameters on modelling runoff from river basin. The case study of catchment in the Puck District
PublikacjaThe study was preceded to check the impact of the adopted digital elevation model resolution on the determination of catchment parameters and the further influence of the received information on calculations related to the hydrograph at the closing point of the basin after a synthetic 100-year precipitation episode. The study area are river basins located in the Puck commune convoying water directly to the Puck Bay. These studies...
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Equivalent temperature for design of asphalt pavements in Poland
PublikacjaThe paper presents application of equivalent temperature for design of asphalt pavements. The calculation methods of equivalent temperature: the Shell method, the French method, the methods that use the AASHTO and the Asphalt Institute fatigue criteria were presented. The results of calculations of equivalent temperature for Polish climatic conditions were presented and discussed. It was shown that different asphalt pavement design...
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Validation of a sampling procedure
PublikacjaEach step of the analytical procedure influences the final results in a significant way. In the majority of cases the analytical procedure encompasses sampling because the analysis of the entire object (material) is usually not possible. Thus it is necessary to include the uncertainty related to sampling procedure in the uncertainty budget calculations. This paper describes two basic ways of estimating the sampling uncertainty,...
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Drewniane więźby dachowe żuławskich domów podcieniowych typu III – badania, stan zachowania, analiza
PublikacjaZabytkowe domy podcieniowe ujścia Delty Wisły były obiektem zainteresowań wielu badaczy, jednak ich prace koncentrowały się głównie na aspektach historyczno-architektonicznych. Nie ma publikacji skupiających się na szczegółach i dokładnych analizach ustrojów budowlanych dla tej grupy historycznych obiektów. Artykuł jest rezultatem badań terenowych, kwerendy archiwalnej i obliczeń wykonanych przez autora....
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Pressure pulsations in turbine blade seal clearance
PublikacjaThe paper presents the results of numerical and experimental investigations into pressure forces generated in a turbine labyrinth seal. The experiments were performed on a single-stage air model turbine of the impulse type, while the numerical results were obtained by means of CFD Fluent Code. The performed experimental research and numerical calculations prove that in a shroud clearance the pressure pulsates and the effects of...
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Locating and Identifying Ferromagnetic Objects
PublikacjaThe new non-iterative method of determining the dipole moment and location is presented in this paper. The algorithm of an object's localization and identification was achieved by using numerical calculations and approximation method. The arbitrary shapes of an object were assumed in the identification algorithm - axially symmetric spheroid (a prolate and an oblate). Several examples of localization and identification of an object's...
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Doppler effect in the CW FM sonar
PublikacjaWhen sonars are used for military purposes they have to ensure unobtrusive operation, a feature that can be potentially secured by 'silent sonar' or continuous wave frequency modulation sonars (CW FM sonars). The article presents how these sonars operate and identifies the relations between their parameters. The Doppler effect and its impact on the CW FM sonar are studied to identify how it affects the sonar's parameters. The results...
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Silent Sonar with matched filtration
PublikacjaRadars with continuous wave frequency (CW FM sonars) are used in radiolocation as 'silent sonars'. They determine the distance to target by measuring the difference between the frequency of the sounding signal and echo signal. The article presents the principle of operation and parameters of silent CW FM sonars. Target distance determined by these sonars is based on the signal at the output of the matched filter. The Doppler effect...
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THERMODYNAMIC ANALYSIS OF A GENERATION IV SCWR NUCLEAR POWER PLANT CYCLE
PublikacjaThis article presents a flow and thermodynamic analysis of a Generation IV nuclear cycle. An SCWR (Supercritical water reactor) is a high temperature and high pressure reactor that uses water at a temperature above its thermodynamic critical point as the working fluid. The cycle used for the calculations consists of one interstage superheater and 7 regenerative heat exchangers. Division pressure was optimized in view of the cycle efficiency,...
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Effect of geometric imperfections on aluminium silo capacities
PublikacjaAn aluminum silo with initial imperfections is analysed. Two types of imperfections are considered. The first one takes the form of local indentations in the shell; their size and range are adopted on the basis of the standard guidelines. The second type is a global imperfection described through the use of its eigenforms and by means of two-dimensional random fields. The calculations are limited to two cases of loading: negative...
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Diagnostics of historic columns using wave propagation
PublikacjaThis paper presents a numerical analysis of elastic wave propagation in columns of historical buildings for diagnostics purposes. Numerical calculations were performed using the finite element method in the Abaqus software package. The analysis was carried out for three types of brick columns: a full column, a column filled with debris, and a column empty inside. The excitation was in the form of a wave packet and signals of propagating...
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Evaluation of the Impact of Different Types of Uncoupling on the Processing Capacity of Hump Yards
PublikacjaThe paper considers the issue of evaluating the impact of different types of uncoupling to increase the processing capacity of hump yards to ensure high technical-economic indicators in the conditions of limited capital funds. Moreover it describes the mathematical formulation of the sorting slide. For the mathematical formulation, the sorting slide is taken as a surface that is uniquely projected onto a horizontal plane. Based...
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Development of beltless respiration and heartbeat sensor based on flexible piezoelectric film
PublikacjaThe main goal of this work is to report initial development on a respiration and heartbeat measurement sensor that can be used in continuous monitoring conditions at a minimal impact on the patient. General description of the sensor, consisting of a PVDF film and the bonding layer, is given. Open-circuit voltage generated by the sensor is estimated by analytical and numerical calculations. Analog and digital interface used to extract...
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Control of a vapour microturbine set in cogeneration applications
PublikacjaSystems with microturbines are implemented for local generation of heat and electricity. This paper presents the analysis of control concepts for a vapour microturbine set with a generator with permanent magnets, intended to work in small heat and power plants. Control system variants differed by the selection of controlled signals and set parameters. Possible ways of control were discussed and compared with experimentally determined...
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Big Data from Sensor Network via Internet of Things to Edge Deep Learning for Smart City
PublikacjaData from a physical world is sampled by sensor networks, and then streams of Big Data are sent to cloud hosts to support decision making by deep learning software. In a smart city, some tasks may be assigned to smart devices of the Internet of Things for performing edge computing. Besides, a part of workload of calculations can be transferred to the cloud hosts. This paper proposes benchmarks for division tasks between an edge...
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Modelling of the viscoelastic properties of the technical fabric VALMEX
PublikacjaThe analysis of the Burgers model used for the constitutive description of the technical fabric VALMEX vis-coelastic behavior is presented. It has revealed that the correctness of the identification depends strongly on the level of the immediate strain taken for calculations. Moreover, it has been proven that the Burgers model can be used for modelling of the viscoelastic properties of the polyester reinforced PVC coated VALMEX...
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Locating and Identifying Ferromagnetic Objects
PublikacjaThe new non-iterative method of determining the dipole moment and location is presented in this paper. The algorithm of an object's localization and identification was achieved by using numerical calculations and approximation method. The arbitrary shapes of an object were assumed in the identification algorithm - axially symmetric spheroid (a prolate and an oblate). Several examples of localization and identification of an object's...
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How much a geometrical model of a honeycomb seal can be simpli ed in the CFD calculation
PublikacjaThis paper presents the inuence of geometry simplication on the results obtained in the computational fluid dynamics simulation. The subject of simulation was part of the honeycomb seal located at the inlet to high pressure part of a steam turbine. There were three different geometrical models assumed in the calculations. First one was two-dimensional case and two others were three dimensional, one with the radius of curvature...
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A simple approach to heat exchanger sizing optimisation by means of entrophy generation minimisation
PublikacjaIn the paper an attempt is presented to find the method of optimization of microtube diameter with respect to optimal thermal-hydraulic conditions in the single-phase shell-and-tube heat exchangers. The approach is based on consideration of pumping power at the condition of maximum heat transfer by the heat exchanger tube system. In the optimization method the tube diameter is first specified and then appropriate calculations are...
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Analysis of the selection of low temperature medium for a turbine power plant using ocean thermal energy (OTEC)
PublikacjaThe paper presents the results and conclusions of numerical calculations modelled in the EES program of a closed OTEC cycle. The following mediums were analysed: ammonia, R32, R41, R404a, R407c, R410a, R423a, R500, R502, R507a and R114, R152a, R234fa, R600, R1234yf, R1234ze. Analogous assumptions were adopted as in the ORC cycle with heat regeneration for dry refrigerants without regeneration for wet refrigerants. Each of them...
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Impact of maintenance of floodplains of the Vistula River on high water levels on the section from Włocławek to Toruń
PublikacjaThis article describes the methodology of hydraulic calculations to estimate the water levels in open channels for steady gradually varied flow. The presented method has been used to analyse the water level on the Vistula River from Włocławek cross-section to Toruń cross-section. The HEC-RAS modelling system has been used for parameterization of the river channel and floodplains, as well as for flow simulation. The results obtained...
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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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Electromagnetic Simulations with 3D FEM and Intel Optane Persistent Memory
PublikacjaAbstract—Intel Optane persistent memory has the potential to induce a change in how high-performance calculations requiring a large system memory capacity are conducted. This article presents what this change may look like in the case of factorization of large sparse matrices describing electromagnetic problems arising in the 3D FEM analysis of passive highfrequency components. In numerical tests, the Intel oneAPI MKL PARDISO was...
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Analysis of the selection of low-temperature medium for a turbine power plant using ocean thermal energy (OTEC)
PublikacjaThe paper presents the results and conclusions of numerical calculations modelled in the EES program of a closed OTEC cycle. The following mediums were analysed: ammonia, R32, R41, R404a, R407c, R410a, R423a, R500, R502, R507a and R114, R152a, R234fa, R600, R1234yf, R1234ze. Analogous assumptions were adopted as in the ORC cycle with heat regeneration for dry refrigerants without regeneration for wet refrigerants. Each of them...
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Der Begriff des Mythos bei Cassirer: zwischen UIdealismus, Ethnologie, politischer Philosophie und allgemeine Kulturphilosophie
PublikacjaDer Mythos war eines der bevorzugten Forschungsobjekte Cassirers, denen er zwei Bücher, zahlreiche Artikel und wichtige längere Aufsätze widmete. In diesem Artikel versuche ich Cassirers Mythendeutung kurz zu rekapitulieren, um ihre Position in der Gesamtheit seines philosophischen Systems festzulegen und ihr Erklärungspotenzial zu gewinnen. In erstem Teil handle ich das allgemeine Problem des mythischen Denkens hauptsächlich aufgrund...
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Design and investigations of a micro-turbine flow part
Publikacja-generative micro-power plant with the HFE7100 as a working medium was designed and built for experimental investigations. The heat output of the plant was assumed equal to 20 kW, while the electric output amounted to about 3kW.In the paper a multi-stage micro-turbine with partial admission of all the stages is described in detail and the results of the particular experimental investigations and numerical calculations are shown,...
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Evaluation of respiration capacity of VF in hybrid constructed wetland systems.
PublikacjaThree VF-beds operating in hybrid constructed wetlands in configuration HF-VF-HF were analysed. These hybrid constructed wetlands provide the II stage biological treatment. They are located in Pommerania voivodship, in Sarbsk, Wiklino and Wieszyno, and their capacities are 29.5, 14.2 and 21.6 m3/d, respectively. The article focuses on performance and operation of VF-CW plants during one year. Based on removal of organic matter...