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Search results for: VIBRATIONALLY EXCITED GAS
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Potential energy curves, transition and permanent dipole moments of KRb
PublicationWe present extensive calculations of 48 adiabatic potential energy curves of the KRb molecule. Efforts have been focused on preparing the appropriate basis sets. Compared to previous approaches, the set of new potential energy curves is extended to higher excitations, including the single-excited K(4s2S)+Rb(5d2D) and double-excited K(4p2P)+Rb(5p2P) atomic limits. Larger distances between nuclei are also taken into account. New...
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Development of a solventless stir bar sorptive extraction/thermal desorption large volume injection capillary gas chromatographic-mass spectrometric method for ultra-trace determination of pyrethroids pesticides in river and tap water samples
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Low-energy positron collisions with water: elastic and rotationally inelastic scattering
PublicationDifferential, integral and momentum transfer cross sections for the vibrationally elastic and rotationally inelastic scattering of positrons from water at low collision energy (E ≤ 10 eV) are reported. Several models within the R-matrix method are used to compute the body-fixed T-matrices, while the scattering calculations are performed within the fixed-nuclei approximation corrected with the standard Born-closure formula. These...
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Observation of the Hydrogen Migration in the Cation-Induced Fragmentation of the Pyridine Molecules
PublicationThe ability to selectively control chemical reactions related to biology, combustion, and catalysis has recently attracted much attention. In particular, the hydrogen atom relocation may be used to manipulate bond-breaking and new bond-forming processes and may hold promise for far-reaching applications. Thus, the hydrogen atom migration preceding fragmentation of the gas-phase pyridine molecules by the H+, H2+, He+, He2+, and...
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Nowoczesne techniki przygotowania próbki do oznaczania analitów organicznych z zastosowaniem chromatografii gazowej. Część II. Aparatura. Modern techniques of preparation of samples for determining organic analytes by gas chromatography. Part II. Instrumentation.
PublicationW pracy dokonano przeglądu szerokiego spektrum technik przygotowania próbki ze szczególnym uwzględnieniem technik o charakterze prośrodowiskowym. Opisu technik dokonano pod kątem wykorzystywanych mechanizmów izolacji analitów oraz stosowanych rozwiązań aparaturowych.
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Studies on solid phase microextraction-gas chromatographic determination of volatile chloroorganic pollutants in soil. badanie lotnych związków chloroorganicznych w glebie przy użyciu techniki mikroekstrakcji do fazy stacjonarnej i chromatografii gazowej.
PublicationLotne związki chloroorganiczne (VOXs) mogą być obecne w powietrzu, wodzie i glebie. Związki te mają właściwości kancerogenne, dlatego też ich ilość w środowisku powinna być monitorowana. W pracy przedstawiono badania nad możliwością zastosowania techniki izolacji i wzbogacania jaką jest mikroekstrakcja do fazy stacjonarnej, jej przydatność w analizie lotnych węglowodorów chloroorganicznych w różnych typach gleb z wykorzystaniem...
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Analytical ‘Steady-State’-Based Derivation and Clarification of the Courant-Friedrichs-Lewy Condition for Pipe Flow
PublicationThis article addresses the problem of choosing the optimal discretization grid for emulating fluid flow through a pipeline. The aggregated basic flow model is linearized near the operating point obtained from the steady state analytic solution of the differential equations under consideration. Based on this model, the relationship between the Courant number (μ) and the stability margin is examined. The numerically set coefficient...
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Fischer–Tropsch synthesis: Studies effect of reduction variables on the performance of Fe–Ni–Co catalyst
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Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
PublicationThe 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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Analysis of explosion hazard on propane-butane liquid gas distribution stations during self tankage of vehicles Analiza zagrożeń wystąpienia wybuchu dla stacji dystrybucji gazu płynnego propan-butan podczas samodzielnego napełniania pojazdów
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Light‐Driven Multi‐Charge Separation in a Push‐Pull Ruthenium‐Based Photosensitizer – Assessed by RASSCF and TDDFT Simulations
PublicationThe performance of photosensitizers in the field of, for example, solar energy conversion, relies on their light-harvesting efficiency in the visible region, population of long-lived charge separated intermediates, as well as their charge-accumulation capacity amongst other properties. In this computational study, we investigate the photophysical properties of a bis(bipyridyl)ruthenium(II)-based black dye (Ru) incorporating a chromophoric...
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Optimization of the femtosecond laser impulse for excitation and the Spin-Orbit mediated dissociation in the NaRb Dimer
PublicationWe study the dynamics of multiple coupled states under the influence of an arbitrary time-dependent external field to investigate the femtosecond laser-driven excitation and the spin-orbit mediated dissociation in the NaRb dimer. In this process, the dimer is excited from the ground triplet state 1^3Sigma+ to the 1^3Pi state using the femtosecond laser impulse and the spin-orbit coupling between the 1^3Pi and 2^1Sigma+ states results...
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Up-conversion white emission and other luminescence properties of a YAG:Yb2O3·Tm2O3·Ho2O3@SiO2 glass-nanocomposite
PublicationWe report on a glass-nanocomposite material consisting of yttrium aluminum garnet (Y3Al5O12, YAG) nanocrystals co-doped with Yb3+, Tm3+ and Ho3+ ions as well as entrapped into a SiO2 xerogel. This 94YAG·5Yb2O3·0.8Tm2O3·0.2Ho2O3@SiO2 (abbr. YAG:YbTmHo@SiO2) nanocomposite material has been prepared by sol–gel procedure. Its structure and morphology has been characterized by means of X-ray diffraction (XRD) and scanning electron microscope...
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Dissociative multi-photon ionization of isolated uracil and uracil-adenine complexes
PublicationRecent multi-photon ionization (MPI) experiments on uracil revealed a fragment ion at m/z 84 that was proposed as a potential marker for ring opening in the electronically excited neutral molecule. The present MPI measurements on deuterated uracil identify the fragment as C3H4N2O+ (uracil+ less CO), a plausible dissociative ionization product from the theoretically predicted open-ring isomer. Equivalent measurements on thymine...
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Ultrafast Intramolecular Relaxation and Wave-Packet Motion in a Ruthenium-Based Supramolecular Photocatalyst
PublicationThe hydrogen-evolving photocatalyst [(tbbpy)2 Ru(tpphz)Pd(Cl)2 ](2+) (tbbpy=4,4'-di-tert-butyl-2,2'-bipyridine, tpphz=tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine) shows excitation-wavelength-dependent catalytic activity, which has been correlated to the localization of the initial excitation within the coordination sphere. In this contribution the excitation-wavelength dependence of the early excited-state relaxation...
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CLICK 'n' Sleep: Light-Switch Behavior of Triazole-Containing Tris(bipyridyl)ruthenium Complexes
PublicationA set of RuII complexes incorporating triazole subunits are presented. They show a solvent-dependent light-switch effect. Theoretical calculations revealed the excited states involved in the emission process. The findings are highly important for future design of light-switch sensors and suggest a severe restriction for functional photomolecular devices synthesized by CLICK chemistry.
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POTENTIAL APPLICATIONS OF ELECTRONIC NOSE BASED ON ULTRA FAST GAS CHROMATOGRAPHY TO DISTINGUISH ALCOHOLIC BEVERAGES MADE OF GRAIN = POTENCJALNE MOŻLIWOŚCI ZASTOSOWANIA ELEKTRONICZNEGO NOSA OPARTEGO NA ULTRA SZYBKIEJ CHROMATOGRAFII GAZOWEJ DO ODRÓŻNIANIA NAPOJÓW SPIRYTUSOWYCH POCHODZENIA ZBOŻOWEGO
PublicationStan środowiska a zwłaszcza powietrza ma wpływ na wiele aspektów życia, m in. na jakość produktów spożywczych. Z tego względu niezwykle ważne jest monitorowanie stanu środowiska, które odbywa się za pomocą wielu technik analitycznych. Jedną z nich jest elektroniczny nos. Pierwotnie elektroniczny nos był wykorzystywany tylko do badania uciążliwości zapachowej powietrza. Obecnie technika ta wykorzystywana jest również do monitorowania...
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Nowoczesne techniki przygotowania próbki do oznaczania analitów organicznych z zastosowaniem chromatografii gazowej. Część I. Podstawy teoretyczne ekstrakcji. Modern techniques of preparation of samples for determining organic analytes by gas chromatography. Part I. Theoretical principles of extraction.
PublicationPrzedstawiono podstawy teoretyczne technik izolacji i wzbogacania analitów organicznych z próbek gazowych oraz ciekłych. Już pobieżna analiza literatury dotyczącej omawianych zagadnień, pokazuje jak różnorodne i bogate spektrum technik jest stosowane na etapie przygotowania próbki. Z drugiej strony, z punktu widzenia podstaw fizykochemicznych, większość technik opiera się na dwóch zjawiskach: adsorpcji analitów na medium zatrzymującym...
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Determination of carbonyl compounds in distilled alcoholic beverages using gas chromatography and head-space solid phase microextraction. Oznaczanie związków karbonylowych w napojach alkoholowych z użyciem chromatografii gazowej i mikroekstrakcji do fazy stacjonarnej z fazy nadpowierzchniowej
PublicationW pracy przedstawiono badania nad opracowaniem procedury oznaczania związków karbonylowych z użyciem mikroekstrakcji do fazy stacjonarnej w wersji analizy fazy nadpowierzchniowej (HS-SPME), chromatografii gazowej z detekcją wychwytu elektronów(GC-ECD) oraz derywatyzacji pentafluorobenzylohydroksyloaminą (PFBHA). Opisano wpływ parametrów: temperatury, mieszania, czasu ekspozycji włókna, dodatku soli, stężenia alkoholu. Opracowaną...
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Pracujący w czasie rzeczywistym system detekcji gazów wykorzystujący przenośny komputer Raspberry PI oraz matrycę półprzewodnikowych czujników gazu
PublicationThe gas-analyzing systems based on the array of partially selective gas sensors and pattern-recognition techniques are potentially fast and lowcost alternative for other devices, like gas‑analysers. They give the possibility of recognition the type and the concentration of measured volatile compounds in their working environment. In this work we present the implementation of gas recognition system, in which the signals from an...
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The Method of reduction of aerodynamic forces generated in turbine blade seals
PublicationThe distibution of pressure in the seal gaps does not only affect the so called '' leakage losses'' and the turbine stage overall efficiency but also plays an important role in the generation of aerodynamic forces which may cause self-excited rotor vibrations. The paper describes a chamber seal applied for the reduction of the aerodynamic forces created in shroud seals. This kind of turbine seal was patented and tested.
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Wstępne badania technologii spawania złączy narożnych ze stali niskoweglowej i nierdzewnej o grubości g=6mm i g=10mm
PublicationCelem pracy był dobór parametrów spawania dla spoin narożnych o grubości 6mm i 10mm próbek wykonanych ze stali niskowęglowej S355 i stali nierdzewnej - typu 304 (X6CrNI18-10). Złącza były spawane laserowo, jednostronnie z pełnym przetopem a powierzchnie lica i grani zapewniają uzyskanie szczelności przylegającego elementu uszczelniającego. Próbki zostały dostarczone przez Zleceniodawcę. Próby zostały przeprowadzone na stanowisku...
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Advanced operating methods
PublicationSelected operating methods of resistive gas sensors were presented. The methods utilize flicker noise (1/f noise), which gives additional information about ambient gas when compared with the recorded changes of DC resistance only. Methods of flicker noise measurements were outlined. Recently developed prototype gas sensors comprising golden nanoparticle functionalized with organic ligands can generate intense flicker noise induced...
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Zastosowanie połączenia mikroekstrakcji do fazy stacjonarnej i chromatografii gazowej do oznaczania lotnych kwasów tłuszczowych w próbkach środowiskowych i pokrewnych=Application of combination of solid phase microextraction and gas chromatography for determination of volatile fatty acids in environmental and related samples
PublicationOznaczanie lotnych kwasów tłuszczowych (LKT) w próbkach środowiskowych wymaga najczęściej izolacji i wzbogacania analitów na etapie przygotowania próbek oraz zastosowania techniki o dużym potencjale separacyjnym i identyfikacyjnym na etapie oznaczeń końcowych. W pracy dokonano krytycznego przeglądu zastosowań wygodnej i często stosowanej techniki mikroekstrakcji do fazy stacjonarnej (SPME) w połączeniu z wysokosprawną techniką...
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The 41Σ+ electronic state of LiCs molecule
PublicationThe 41Σ+ state of LiCs molecule is observed experimentally for the first time. The inverted perturbation approach (IPA) method is used to derive the potential energy curve of the state from the measured spectra. The experiment is accompanied by theoretical calculations of adiabatic potentials for excited states in LiCs including 41Σ+, performed with the MOLPRO program package. The irregular shape of the 41Σ+ state potential predicted...
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The Emission and Combustion Characteristics of Marine Diesel Engine with Extreme Throttled of Air or Exhaust Ducts
PublicationPresented paper shows the results of the laboratory tests on the relationship between the extreme throttling of both air intake duct and exhaust gas duct and gaseous emission from the marine engine. The object of research is a laboratory, 4-stroke, DI diesel engine, operated at loads from 50 kW to 250 kW at a constant speed equal to 750 rpm. During the laboratory tests the thermodynamic and exhaust gas emission characteristics...
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TOXIC GASES IDENTIFICATION USING SINGLE ELECTROCATALYTIC SENSOR RESPONSES AND ARTIFICIAL NEURAL NETWORK
PublicationThe need for precise detection of toxic gases drives development of new gas sensors structures and methods of processing the output signals from the sensors. In literature, artificial neural networks are considered as one of the most effective tool for the analysis of gas sensors or sensors arrays responses. In this paper a method of toxic gas components identification using a electrocatalytic gas sensor as a detector and an artificial...
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Permeation and sorption properties of poly(ether-block-amide) membranesfilled by two types of zeolites
PublicationThe experimental study of transport properties of mixed matrix membranes (MMMs) based on PEBA-4033 with two types of zeolites is reported. Gas (CO2, O2, N2) and vapor (benzene, toluene, methanol, water) permeation measurements were performed using the differential flow permeameter at temperature of 298.15 K and at atmospheric pressure. Gas/vapor permeation was monitored by measuring the changes of the thermal conductivity of carrier...
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Zastosowanie metod eksploracji danych do analizy odpowiedzi czujników gazu
PublicationZagadnienia poruszane w niniejszej rozprawie dotyczą zastosowania metod eksploracji danych do analizy odpowiedzi czujników gazu, umożliwiających poprawną identyfikację składu mieszaniny gazowej w elektronicznych systemach rozpoznawania gazu. Elektroniczne systemy rozpoznawania gazu to urządzenia wykorzystujące czujniki gazu oraz odpowiednio dobrane metody analizy danych pomiarowych, zdolne do określenia składu mierzonej mieszaniny...
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Neutral Dissociation of Pyridine Evoked by Irradiation of Ionized Atomic and Molecular Hydrogen Beams
PublicationThe interactions of ions with molecules and the determination of their dissociation patterns are challenging endeavors of fundamental importance for theoretical and experimental science. In particular, the investigations on bond-breaking and new bond-forming processes triggered by the ionic impact may shed light on the stellar wind interaction with interstellar media, ionic beam irradiations of the living cells, ion-track nanotechnology,...
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Diagnostics of bolted lap joint using guided wave propagation
PublicationThe paper presents numerical and experimental analyses of elastic waves propagation in a bolted lap joint. In experimental investigations condition assessment of the joint was performed with the use of symmetric waves excited by a piezoactuator. Numerical calculations were conducted in commercial finite element method software Abaqus. The influence of number of bolts and the value of the initial stress on recorded signals was examined....
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Wybrane zagadnienia przepływowe turbiny gazowej pracującej w tłoczni gazu ziemnego.
PublicationW niniejszym artykule przedstawiono cieplno-przepływowe obliczenia turbiny gazowej, stanowiącej napęd sprężarki w tłoczni gazu ziemnego. Wartości parametrów wejściowych niezbędnych do przeprowadzenia obliczeń przyjęto na podstawie danych technicznych tłoczni zasilających polski odcinek gazociągu tranzytowego Jamał-Europa, w których pracują turbiny gazowe SGT-600 firmy Siemens, o mocy 25,3 MW.
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FORECASTING BIOGAS FORMATION IN LANDFILLS
Publication: The aim of the present research was to develop a mathematical model for estimating the amount of viscous gas generated as a function of weather conditions. Due to the lack of models for predicting gas formation caused by sudden changes in weather conditions in the literature, such a model was developed in this study using the parameters of landfills recorded for over a year. The effect of temperature on landfill gas production...
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Magnetizabilities of relativistic hydrogenlike atoms in some arbitrary discrete energy eigenstates
PublicationWe 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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Analysis of operations of combined STIG installation
PublicationSteam injection in gas turbines is interesting technology with good energetic and ecological properties of gas turbines. In these applications the heat of exhaust gases is used to produce steam, which is injected in the combustion chamber of a gas turbine. The steam injection increase the power and efficiency of the installation. there are some possibilities to increases the properties of STIG turbines, for example by meas of additional...
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Taguchi sensors under temperature modulation
PublicationSemiconductor gas sensors are widely used in gas- analyzing applications for various gas species determination due to their low cost and possibility to detect number of different gases. However, one of the main problems with such sensors is their lack of selectivity. To overcome this issue different ap- proaches can be used. One of them is the operation with sensor temperature modulation combined with dedicated data process- ing...
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Determination of toxic gases based on the responses of a single electrocatalytic sensor and pattern recognition techniques
PublicationA response from an electrocatalytic gas sensor contains fingerprint information about the type of gas and its concentration. As a result, a single gas sensor can be used for the determination of different gases. However, information about the type of gas and its concentration is hidden in the unique shape of the current–voltage response and it is quite difficult to explore. One of the ways to get precise information about the measured...
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Performance and emission characteristics of diesel engines running on gaseous fuels in dual-fuel mode
PublicationConventional fossil fuels are being substituted with alternative green fuels because of their greenhouse gas emissions and pollution problems, which pose a severe threat to the environment. Several studies have reported the usage of biodiesel and gaseous fuels in both single and dual-fuel modes. Gaseous fuels such as producer gas, biogas, syngas, and hydrogen produced from renewable biomass could potentially be used along with...
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High Speed Milling vibration surveillance with optimal spindle speed based on optimal speeds map
PublicationThe paper presents the method of the surveillance of the self-excited chatter vibration. At first, the workpiece modal parameters are estimated based on experimental data which leads to verification of computational model. Then, for selected surface points optimal spindle speeds are calculated. By considering sufficient amount of points it is possible to build a map of optimal spindle speeds. Experimental results show that this...
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Thin CVD diamond films - synthesis, properties, applications
PublicationThe basic model of diamond films growth, in the low pressure synthesis, deposition from the CVD gas phase, is the mixture of hydrocarbon gas in presence with activated hydrogen and its nucleation on the substrate as a result of pyrolysis reaction. It allows to cross the great energetic barrier between graphite and diamond. High pressure and temperature are replaced by change of electronic structure of atoms into gas precursors...
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Comparative analysis of thermodynamic cycles of selected nuclear ship power plants with high-temperature helium-cooled nuclear reactor
PublicationThis paper presents a comparative analysis of thermodynamic cycles of two ship power plant systems with a high-temperature helium- cooled nuclear reactor. The first of them is a gas system with recuperator , in which classical gas chamber is substituted for a HTGR reactor (High Temperature Gas-cooled Reactor) . The second of the considered cycles is a combined gas-steam system where working medium flux from gas turbine outlet...
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Thermochemical Conversion of Biomass and Municipal Waste into Useful Energy Using Advanced HiTAG/HiTSG Technology
PublicationAn advanced thermal conversion system involving high-temperature gasification of biomass and municipal waste into biofuel, syngas or hydrogen-rich gas is presented in this paper. The decomposition of solid biomass and wastes by gasification is carried out experimentally with a modern and innovative regenerator and updraft continuous gasifier, among others. A ceramic high-cycle regenerator provides extra energy for the thermal conversion...
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Multi-headed chimera states in coupled pendula
PublicationWe discuss the occurrence of the chimera states in the network of coupled, excited by the clock’s mechanisms pendula. We find the patterns of multi-headed chimera states in which pendula clustered in different heads behave differently (oscillate with different frequencies) and create different types of synchronous states (complete or phase synchronization). The mathematical model of the network shows that the observed chimera states...
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AN ORIGINAL APPROACH IN THE FIELD OF PREPARATION REFERENCE MATERIALS OF VOLATILE ANALYTES
PublicationStandard gas mixtures (SGM) are indispensable reference materials for ensuring the reliability of analytical work. Reference materials are an excellent tool for the quality control and assurance of analytical results. Standard gas mixtures are unique among reference materials. The rapid progress of SGM production is connected with the instability of gaseous analytes which make them difficult to obtain. The use of standards with...
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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublicationWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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Dia- and paramagnetic contributions to magnetizabilities of relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates
PublicationIn this paper we present tabulated data for relative diamagnetic and paramagentic contributions to the magnetizability ($\chi$) of the relativistic hydrogenlike atoms with a pointlike, motionless and spinless nucleus of charge $Ze$. Utilizing general analytical formulas for the diamagnetic ($\chi_{d}$) and paramagnetic ($\chi_{p}$) components of $\chi$, recently derived by us [P. Stefa{\'n}ska, 2020] with the aid of the Gordon...
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Zastosowanie addytywów w separacji pianowej białek serwatkowych i białek mlecznych
PublicationZaproponowano proces separacji pianowej do wydzielania białek ze strumieni poprodukcyjnych przemysłu mleczarskiego Ponadto zaproponowano zastosowanie w separacji pianowej białek serwatkowych i mlecznych addytywów dopuszczonych ustawą do stosowania w żywności. Jako cel pracy przyjęto uzyskanie wyników uzasadniających wybór takich addytywów, które intensyfikują przebieg i polepszają wynik procesu separacji pianowej białek. W części...
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Application of wavelet transform in analysis of guided wave propagation signals for damage detection in a steel plate
PublicationThe paper presents results of experimental investigations on damage detection using guided wave propagation technique. The tested specimen was a steel plate with a defect in the form of a rectangular notch. Lamb waves were excited by a PZT actuator and sensed by a laser vibrometer. Since reflections from damage in registered signals are often masked by measurement noise, for identification of time of reflections from damage, continuous...
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Modal Analysis of Planar Elliptical Resonator Deposited on Unshielded Dielectric Slab
PublicationModal analysis of isolated open planar elliptical patch placed on dielectric slab is presented in the paper. It applies concept of Illuminating Modes which is formulated for the case of two-side opened structure. The current on patch is expanded in basis functions in form of Mathieu radial and angular functions. The spectrum of excited modes for exemplary planar resonators is presented and discussed using the concept of power of...
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Elastic wave propagation for condition assessment of steel bar embedded in mortar
PublicationThis study deals with experimental and numerical investigations of elastic wave propagation in steel bars partially embedded in mortar. The bars with different bonding lengths were tested. Two types of damage were considered: damage of the steel bar and damage of the mortar. Longitudinal waves were excited by a piezoelectric actuator and a vibrometer was used to non-contact measurements of velocity signals. Numerical calculations...