Wyniki wyszukiwania dla: THEORETICAL MODEL
-
Theoretical and computational analysis of nonlinear fractional integro-differential equations via collocation method
Publikacja -
Intellectual brain drain and economic growth in developing countries: A theoretical solution of strategic compensation
PublikacjaBrain drain is a real problem for the developing countries like Pakistan. It not only impacts theworkforce, but its effect eventually translates to economic growth as well. The most severe form of braindrain is intellectual as top tier skilled employees’ move out of the country. This study explores the issue ofintellectual brain drain in Pakistan moreover analyzes its severity to the economic growth. Finally,...
-
Theoretical calculation of pKas of phosphoric (V) acidin the polarisable continuum and cluster-continuum models
PublikacjaW pracy oceniono dokładność modelu polaryzowalnego kontinuum (PCM) i mieszanego modelu klaster-kontinuum do przewidywania wartości trzech kolejnych stałych dysocjacji kwasu fosforowego (V). Obliczenia PCM na poziomie MP2/6-31+G(d,p) odtwarzają wartość pierwszego pKa z rozsądną niepewnością, jednak wartości kolejnych pKa obarczone są bardzo dużym błędem, nawet po podniesieniu poziomu teorii do metody zespolonej G3B3. Dopiero obliczenia...
-
Force-induced structural changes in non-sulfated carrageenan based oligosaccharides – a theoretical study
Publikacja -
Impedance of cation-coupled electron transfer reaction: Theoretical description of one pathway process
PublikacjaIt has been assumed that cation electron coupled charge transfer can be conducted in accordance with two mutually coupled reactions. Using a differential method an expression was introduced which describes the impedance of a cation electron coupled transfer reaction. Also, an electrical equivalent circuit has been defined. The total faradaic impedance is the sum of electron transfer impedance and cation transfer impedance. Issues...
-
Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods
PublikacjaWe present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3–10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double...
-
Experimental and theoretical investigation into pressure field in a shroud clearance. Part I: Experimental research
PublikacjaPrzedstawiono wyniki badań eksperymentalnych rozkładu ciśnienia w uszczelnieniu nadbandażowym stopnia powietrznej turbiny modelowej. Badania przeprowadzono dla różnej częstości obrotowej wirnika i różnego obciążenia turbiny. Wyniki porównano z rezultatami obliczeń teoretycznych w II części artykułu.
-
Some problems of self-excited vibrations of turbine rotors. Part I: The theoretical method
PublikacjaPrzedstawiono teoretyczną metodę określania uszczelnienia nadbandażowego lub dławicy zupełnej, które odgrywa największą rolę w generowaniu samowzbudnych drgań typu aerodynamicznego wirników turbinowych. Drgania harmoniczne układu wirnika turbiny opisane są macierzowym równaniem, a wymuszenia aerodynamiczne określane metodą współczynników wpływu.
-
Theoretical treatment of charge-transfer processes induced by collision of C^q+ ions with uracil
PublikacjaWychwyt ładunku został opisany teoretycznie przy użyciu podstawowych metod chemii kwantowej, uzupełnionych półklasycznym opisem dynamiki zachodzącego procesu. Otrzymane przekroje czynne pokazują zróżnicowane zachowanie pod wpływem struktury elektronowej badanego jonu i mogą służyć do wyjaśniania prowadzonych badań doświadczalnych.
-
The Methodology for Determining the Theoretical Based on the Characteristics of Effective Absorbency Versus Pressure Drop in the Motor
PublikacjaThis article describes a method for determining the theoretical and actual working volume of a hydraulic motor. It has been shown that the actual working volume of the motor is the sum of the theoretical working volume and the additional volume that depends on the pressure drop in the working chambers of the motor. It was also shown that the volumetric losses in the hydraulic motor are not only a function of the pressure drop in...
-
The new version of contact-less method for localisation of catenary contact wire – theoretical assumption
PublikacjaThis article presents the theoretical basic of a new version of contact-less method for localising the catenary contact wires, using the advanced video techniques and image analysis. So far, contact line diagnostic systems exploited nowadays uses the contact measuring methods with special design current collector. This solutions make it impossible to measure the contact line geometry in a static way. The proposed measurement method...
-
Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule
PublikacjaAbsolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The...
-
Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety
PublikacjaFour sulfonamide derivatives with a methoxyphenyl moiety, namely N-{4-[(2-methoxyphenyl)sulfamoyl] phenyl}acetamide (1a), N-{4-[(3-methoxyphenyl)sulfamoyl]phenyl}acetamide (1b), 4-amino-N-(2- methoxyphenyl)benzenesulfonamide (2a) and 4-amino-N-(3-methoxyphenyl)benzenesulfonamide (2b), have been synthesized and characterized physiochemically by CHNS, MS, FT-IR, 1H NMR, 13C NMR, PXRD and TG methods. Crystal structures were determined...
-
Control of the bridge span vibration with high coefficient passive damper. Theoretical consideration and application
PublikacjaThe research was carried out due to the problem of vibration on the lively pedestrian drawbridge across the Motlawa River in the city of Gdansk. In the design stage, the main span of the footbridge showed unfavorable dynamic properties, which may create a comfort problem for pedestrians. The first vertical bending eigenfrequency was recognized as 1.64 Hz. The original design of the footbridge was equipped with a driving cylinder...
-
Photoresponsive Amide-Based Derivatives of Azobenzene-4,4′-Dicarboxylic Acid—Experimental and Theoretical Studies
PublikacjaAzobenzene derivatives are one of the most important molecular switches for biological and material science applications. Although these systems represent a well-known group of compounds, there remains a need to identify the factors influencing their photochemical properties in order to design azobenzene-based technologies in a rational way. In this contribution, we describe the synthesis and characterization of two novel amides...
-
Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN
PublikacjaRadiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory...
-
New Approach to Arc Fitting for Railway Track Realignment
PublikacjaThis article presents a new method of arc fitting for railway track realignment. The theoretical foundations are presented, along with a detailed algorithm of the iterative computational process. This method is based on solving a set of linearized pseudo-observation equations. The formulas of the functional model of the fitting problem were derived, and a special form of objective function is proposed. An iterative method for optimization...
-
Determination of energy-transfer distributions in ionizing ion-molecule collisions
PublikacjaThe main objective of this study is to determine the energy transfer occuring in ion-molecule collisions. In order to solve this problem, we followed two approaches; the first one by validating a purely experimental method and the second one by testing a new theoretical model M3C (Microcanonical Metropolis Monte Carlo).
-
ARTIFICIAL MODEL IN THE ASSESSMENT OF THE ALGORITHM OF OBJECTS RECORDED BY LASER SCANNING SHAPE DETECTION (ALS/TLS)
PublikacjaBrief description of the study and used methods. Brief description of the study and used As part of the preparatory work aimed to create the application solution allowing for the automation of searching objects in data, obtained in the scanning process using ALS (Airborne Laser Scanning) or TLS (Terrestrial Laser Scanning), the authors prepared a artificial (synthetic, theoretical) model of space, used for the verification of operation...
-
Does being socially good save firms from bankruptcy? A systematic literature review and bibliometric analysis
PublikacjaThe purpose of the review was to find out, does being responsible saves firms from bank-ruptcy? What is the relationship between corporate social responsibility and default risk? What meth-ods and measures are used in the literature to evaluate this relationship? And what is the theoretical underpinning of the studies? Moreover, to explore what are the gaps for future work, Web of Science and Scopus databases were utilised to obtain...
-
Zastosowanie założeń koncepcji efektuacji w organizowaniu wydarzenia kulturalnego – studium przypadku
PublikacjaThe paper presents how the effectuation model, which stems from the business studies, can be applied as a tool for analysing the activities undertaken as part of culture organisation. The key element of this model involves the control-based approach to the future instead of making predictions about the future. The outline of the theoretical background is followed by the results of the qualitative research, where the answers were...
-
Numerical and experimental investigation of rotational stiffness of zed-purlins connection with sandwich panels
PublikacjaA rotational resistant stiffness of the zed-purlins connection with sandwich panels is investigated. A simple finite element method model of the connection is proposed. The numerical analysis of the model performed by ABAQUS software, in physically linear and geometrically nonlinear ranges, leads to the rotational resistant stiffness sought. The numerical solution obtained is verified experimentally. Two variants of distribution...
-
Modelling the malware propagation in mobile computer devices
PublikacjaNowadays malware is a major threat to the security of cyber activities. The rapid develop- ment of the Internet and the progressive implementation of the Internet of Things (IoT) increase the security needs of networks. This research presents a theoretical model of malware propagation for mobile computer devices. It is based on the susceptible-exposed- infected-recovered-susceptible (SEIRS) epidemic model. The scheme is based on...
-
Magnetic and capacitive couplings influence on power losses in double circuit high voltage overhead transmission line
PublikacjaPurpose – The paper aims to discuss problems of power and energy losses in a double-circuit overhead transmission line. It was observed from energymeters’ readings, that in such a line, active power losses can be measured as “negative”. The “negative” active power losses appear when the active power injected to the circuit is lower than the active power received at the circuit end. The purpose of this paper is to explain this phenomenon. Theoretical...
-
Experimental and Theoretical Investigations of the Stability of Two Small Gaseous Dicarboxylate Dianions: Acetylene Dicarboxylate and Succinate
Publikacja -
On the critical temperature discontinuity at the theoretical bcc-fcc phase transition in compressed selenium and tellurium superconductors
Publikacja -
Experimental and theoretical studies of spectroscopic properties of simple symmetrically substituted diphenylbuta-1,3-diyne derivatives
Publikacja -
Polystyrene/polybutadiene blends: An analysis of the phase-inversion region and cophase continuity and a comparison with theoretical predictions
Publikacja -
Polystyrene/polybutadiene blends: An analysis of the phase-inversion region and cophase continuity and a comparison with theoretical predictions
Publikacja -
Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublikacjaACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
-
Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublikacjaThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
-
WATER LUBRICATED MAIN SHAFT BEARINGS - MODERN SOLUTION FOR HYDROPOWER INDUSTRY - Experimental and theoretical studies
PublikacjaWater-lubricated bearings are finding increasingly wide use in various branches of industry. As such, they may also be encountered in hydro power industry. They are also increasingly frequently employed in bearing systems of marine shaft propulsions and water pumps [1]. This rising popularity is due to a number of reasons [2]. First of all, their simple construction has direct impact on the level of pricing which is usually quite...
-
Theoretical study of the structure, energetics and vibrational frequencies of water-acetone and water-2-butanone complexes
PublikacjaKompleksy acetonu i 2-butanonu z 0-2 cząsteczkami wody połączonymi wiązaniem wodorowym z tlenem karbonylowym zbadano z wykorzystaniem teorii funkcjonału gęstości (DFT) na poziomie B3LYP/6-311++G(d,p). Obliczenia w fazie gazowej uzupełniono o optymalizacje w otoczeniu rozpuszczalnika, symulowanego za pomocą modelu polaryzowalnego kontinuum (PCM). Częstości drgań oscylacyjnych otrzymane na podstawie zależności empirycznej sa zgodne...
-
Polystyrene/polybutadiene blends: an analysis of the phase inversion regionand cophase continuity and a comparison with theoretical predictions.
PublikacjaMieszaniny przygotowano przez mieszanie w stopie. Występowanie jednego lubobu polimerów w postaci fazy ciągłej stwierdzano przez badanie morfologii przy pomocy skaningowego mikroskopu elektronowego i przez rozpuszczanie jednego ze składników mieszaniny. Badania morfologii mieszanin wykazały, że polistyren występował w postaci globul przy jego zawartości do 30%. Przy zawartości od 40% do 60% obserwowano fazy ciągłe obu...
-
Integrated Experimental and Theoretical Approach for Efficient Design and Synthesis of Gold-Based Double Halide Perovskites
PublikacjaApplied cutting-edge electronic structure and phonon simulations provide a reliable knowledge about the stability of perovskite structures and their electronic properties, which are crucial for design of effective nanomaterials. Gold is one of the exceptional elements, which can exist both as a monovalent and a trivalent ion in the B site of a double perovskite such as A2BI BIIIX6. However, until now, electronic properties of Cs2AuI AuIIIX6...
-
Theoretical and experimental analysis of guided wave propagation in plate-like structures with sinusoidal thickness variations
PublikacjaGuided waves have attracted significant attention for non-destructive testing (NDT) and structural health monitoring (SHM) due to their ability to travel relatively long distances without significant energy loss combined with their sensitivity to even small defects. Therefore, they are commonly used in damage detection and localization applications. The main idea of incorporating guided waves in NDT and SHM is based on processing...
-
THE THEORETICAL STUDY ON INFLUENCE OF FUEL INJECTION PRESSURE ON COMBUSTION PARAMETERS OF THE MARINE 4-STROKE ENGINE
Publikacja -
Theoretical and Actual Feed Per Tooth During Wood Sawing on an Optimizing Cross-Cut Saw
PublikacjaThe work presents the geometries of circular saw teeth, whose task is to divide the cross-cut of the cutting layer. For efficient machining on a cross-cut saw with high feed speed values (about 1 ms−1) maximal theoretical feeds per tooth are determined. These values were compared with the actual values determined during transverse cutting of pine wood on a special test stands in industrial conditions. In the experiment the rotational...
-
Theoretical investigation of the structural insights of the interactions of γ-Fe2O3 nanoparticle with (EMIM TFSI) ionic liquid
PublikacjaOne of the possible applications of ionic liquids is to produce electricity from heat. The iron oxide nanoparticle is a potent electrical particle, which is expected to improve the heat’s efficiency to electricity conversion, however, it is prone to aggregation and sedimentation, which hamper its application. One of the methods to enhance the nanoparticle’s solubility and electrical properties is the use of a stabilizing component...
-
Theoretical and Experimental Studies on the Visible Light Activity of TiO2 Modified with Halide-Based Ionic Liquids
PublikacjaFormation of a surface complex between organic molecules and TiO2 is one of the possible strategies for the development of visible light-induced TiO2 photoactivity. Herein, three ionic liquids (ILs) with the same cation and dierent anions (1-butylpirydynium chloride/bromide/iodide) have been applied for the surface modification of TiO2 and to understand the role of anions in visible light-induced activity of ILs-TiO2 systems. Photocatalytic...
-
Unassisted formation of hemiaminal ether from 4-aminopyridine and o-vanillin - experimental and theoretical study
PublikacjaThe reactions between o-vanillin and three isomeric aminopyridines lead to imines of diverse spatial conformation and reactivity. The direct products of these simple reactions carried out in methanol are either imine compounds formed in the reactions of 2- amino- and 3-aminopyridine with o-vanillin or the α-aminoether formed in the reaction of o-vanillin with 4-aminopyridine. The Schiff-type derivative of 4-aminopyridine and o-vanillin,...
-
Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublikacjaTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
-
An intelligent cellular automaton scheme for modelling forest fires
PublikacjaForest fires have devastating consequences for the environment, the economy and human lives. Understanding their dynamics is therefore crucial for planning the resources allocated to combat them effectively. In a world where the incidence of such phenomena is increasing every year, the demand for efficient and accurate computational models is becoming increasingly necessary. In this study, we perform a revision of an initial proposal...
-
Hydraulic equations for vortex separators dimensioning
PublikacjaThe paper presents a set of hydraulic expressions developed to design vortex separators. These devices are used for gravitational removal of suspensions from wastewater. Measurements and theoretical considerations allowed the authors to formulate a mathematically simple velocity field model. Than, equations describing particle motion in the separator were derived. Finally, a technical procedure for hydraulic design of vortex separators...
-
Laboratory Load Model Based on 150 kVA Power Frequency Converter and Simulink Real-Time – Concept, mplementation, Experiments
PublikacjaFirst section of the paper provides technical specification of laboratory load model basing on 150 kVA power frequency converter and Simulink Real-Time platform. Assumptions, as well as control algorithm structure is presented. Theoretical considerations based on criteria which load types may be simulated using discussed laboratory setup, are described. As described model contains transformer with thyristor-controlled tap changer,...
-
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...
-
The power of silence? opinion contagion and the surprise of the polish 2005 parlamentary and presidential elections
PublikacjaThis paper investigates opinion contagion in collective behaviour using threshold model (Granovetter (1978), Krassa(1988)). The theoretical background is the spiral of silence concept developed by Noelle-Neumann (1974), arguing that people only assert their opinions if they perceive a minimal support from a relevant proportion of others. We apply the model to explain the dispersion between pre-elections preferences and the final...
-
Numerical simulation of hardening of concrete plate
PublikacjaThe paper presents a theoretical formulation of concrete curing in order to predict temperature evolution and strength development. The model of heat flow is based on a well-known Fourier equation. The numerical solution is implemented by means of the Finite Difference Method. In order to verify the model, the in situ temperature measurements at the top plate of a road bridge were carried out. A high agreement between numerical...
-
Empirical verification in industrial conditions of fracture mechanics models of cutting power prediction
PublikacjaA comparison of experimental results obtained in the industrial conditions at a sawmill located in the Baltic Natural Forest Region (PL) and theoretical cutting power consumption forecasted with the models which include work of separation (fracture toughness) in addition to plasticity and friction has been described. In computations of cutting power consumption during rip sawing of Scots pine wood (Pinus sylvestris L.) values of...
-
Design and experimental validation of a single-stage PV string inverter with optimal number of interleaved buck-boost cells.
PublikacjaIncreasing converter power density is a problem of topical interest. This paper discusses an interleaved approach of the efficiency increase in the buck-boost stage of an inverter with unfolding circuit in terms of losses in semiconductors, output voltage ripples and power density. Main trends in the power converter development are reviewed. A losses model was designed and used for the proposed solution to find an optimal number...