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Search results for: CHEMICAL THEORY OF MACHINES
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The importance of CEFTA 2006 for Western Balkan countries
PublicationFree foreign trade is one of the most important issues all over the world. The impact of bilateral trade can be studied both from economic as well as political perspectives; when it improves economic development, it also creates the conditions for international stability. The aim of the article is to conduct a comparison of the changes to export trade flow in the Central European Free Trade Agreement 2006, with reference to countries...
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Basis of Chemical Technology - Lab - 2023/2024
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Basis of Chemical Technology - Lab - 2022/2023
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Basis of Chemical Technology - Project 2023-2024
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Advances in Chemical Technology I 2023/2024
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Basis of Chemical Technology - Project 2023-2024
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Characteristics, Chemical Modification Processes as well as the Application of Silica and its Modified Forms
PublicationThe variety of chemical modifications of the surface of silica and its modified forms cause thesematerials to find a consistently wider scope of application. In the publication, the characteristicsof silica, silica gel, aerogel and xerogel are presented. The obtainment, application and propertiesof these materials are discussed. Methods of chemical modifications of surface structures withthe use of different chemical compounds...
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Application of percolation theory for description of electrical properties of conducting coatings
PublicationPrzedstawiono pomiary elektryczne i elektrochemiczne powłok organicznych przewodzących prąd elektryczny i mogących pełnić rolę anody w systemie ochrony katodowej żelbetonu. Za pomocą pomiarów impedancyjnych dokonano oceny rezystancji powłoki w funkcji zawartości grafitu. Na tej podstawie oszacowano próg perkolacji powłoki epoksydowej domieszkowanej elektrografitem. Ocenę obciążalności prądowej powłok przewodzących dokonano wykonując...
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Quantum chemical modeling of electrochromism of tungsten oxide films
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublicationIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Metabolism of chemical carcinogens
PublicationW rozdziale omówiono szlaki przemian metabolicznych wielu grup związków rakotwórczych z uwzględnieniem zarówno reakcji aktywacji jak i detoksykacji. SzczegÓlną uwagę poświęcono związkom rakotwórczym występującym w żywności.
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublicationThe 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...
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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.
PublicationThe 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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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublicationIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which leads to one equation similar to the Euler beam theory and also is free of any shear correction factor. The equilibrium equation has been...
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Electrostatic interactions in finite systems treated with periodic boundary conditions: Application to linear-scaling density functional theory
PublicationWe present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within density functional theory (DFT), with particular emphasis on linear-scaling (LS) DFT. Often, PBCs are not physically realistic but are an unavoidable consequence of the choice of basis set and the efficacy of using Fourier transforms to compute the Hartree potential. In such...
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Measurements of the chemical composition of LTO:Cu powders
Open Research DataLithium titanate doped by copper was measured by X-ray photoemission spectroscopy (XPS). For sol-gel synthesis lithium acetate dehydrate and titanium (IV) butoxide 97% and copper (II) nitrate from Alfa Aesar were used as a reagents. Cu precursor was added in the proper weight to get an x index equal 0, 0.1 and 0.2. In the first step lithium acetate...
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Chemical and Mechanical Properties of 70-Year-Old Concrete
PublicationThe aim of this research is to determine the durability and strength of concrete continuous footing based on the chosen mechanical, physical, and chemical properties of the concrete. The presented investigations constitute some opinions from experts on the bearing capacity of concrete continuous footing and the possibilities of carrying additional loads and extended working life. The cylindrical specimens were taken from continuous...
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Functional properties of packaging materials from chemical modified stach.
PublicationThis work is focused on study of the mechanical and barrier properties of films obtained from potato starch modified with sodium tetrahydroxozincate generated in situ. The results show that the chemical modification of starch improved the water vapor permeability by about 25%, unfortunately decreased the elongation at break by 60%, when compared with unmodified starch films. However, placitization of films with glycerol at a concentration...
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Chemical composition of water from roof in Gdańsk, Poland
PublicationThis study deals with the assessment of roof runoff waters from the region of Gdansk collected during the winter season (2007/2008). The chemical analysis includes 16 chemical variables: major ions, PAHs and PCBs measured at 3 sampling sites for 6-14 rain events. Although the data set is of limited volume the statistical data treatment using self-organizing maps (SOM) reveals the main factors controlling roof runoff water quality...
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Physical and chemical basis of energy generation - 2023
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Physical and chemical basis of energy generation - 2024
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Theory of architectural design III
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Theory of Rural Architecture - EXAM
e-Learning CoursesThe series of lectures touching upon the history of rural architecture and regarding the composition of landscape designs. The lectures were designed to give students of architecture the tools to work with the nature and strengthen the presence of green spaces in their future designs. The exam is prepared to check what skills and competencies have been gained during the course.
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Theory of Rural Design 2023
e-Learning CoursesThe lectures are aiming to provide the students with the general understanding of the vernacular architecture, landscape, future, resilience and history.
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Theory of architectural design VI
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Modern Techniques in Control Theory
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CHEMICAL REVIEWS
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Determination of the chemical structure of potential organic impurities occurring in drug substance opipramol
PublicationThe tricyclic antipsychotic and antidepressant drug opipramol (opipramole) was examined with regard to the chemical structure of its organic impurities. Impurities were isolated from the technical product by chromatographic methods and their chemical structures were established by 1H NMR, MS and FTIR and further confirmed by comparison with commercially available products or with products obtained by independent synthesis, and...
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Investigation of the Efficiency of a Dual-Fuel Gas Turbine Combustion Chamber with a Plasma‒Chemical Element
PublicationThe study is devoted to the possibility of increasing the efficiency of the working process in dual-fuel combustion chambers of gas turbine engines for FPSO vessels. For the first time, it is proposed to use the advantages of plasma‒chemical intensification of the combustion of hydrocarbon fuels in the dual-fuel combustion chambers, which can simultaneously operate on gaseous and liquid fuels. A design scheme of a combustion chamber...
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublicationThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Analytical Buckling of FG Nanobeams on The Basis of A New One Variable First-Order Shear Deformation Beam Theory
PublicationIn this work, buckling analysis of functionally graded (FG) nanobeams based on a new refined beam theory has been analyzed. The beam is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new obtained beam theory has only one variable which lead to one equation similar to Euler beam theory and also is free of any shear correction factor. The...
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Chapter 11 – Application of Chemical Sensors and Sensor Matrixes to Air Quality Evaluation
PublicationIndoor and outdoor air quality is one of the key factors influencing human health. However, air quality evaluation is not easy task. Air is a complex system, which is subjected to changes even within short period of time. Progress in analytical methods and analytical tools provides increasingly more reliable information on the condition and quality of indoor and outdoor air. This progress, however, generates an increase in the...
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Ab initio and density functional theory calculations of proton affinities for volatile organic compounds
PublicationThe Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets and the density function theory-B3LYP have been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for volatile organic compounds. Calculated values of proton affinities are compared with experimental data.
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Estimation of Failure Initiation in Laminated Composites by means of Nonlinear Six-Field Shell Theory and FEM
PublicationThe monography deals with the problem of failure initiation in thin laminated composites. Known techniques of laminate structures modelling are briefly characterised. Eventually, shell based approach is chosen for the purpose of the description of the composite structures behaviour, as it predicts their deformation and states of stress effectively in a global sense. The nonlinear six parameter shell theory (6p theory) with asymmetric...
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Dempster-shafer theory-based trust and selfishness evaluation in mobile ad hoc networks
PublicationThe paper addresses the problem of selfishness detec-tion in mobile ad hoc networks. It describes an approach based on Dempster-Shafer theory of evidence. Special attention is paid to trust evaluation and using it as a metric for coping with (weighted) recommendations from third-party nodes. Efficiency and robustness of the pre-sented solution is discussed with an emphasis on resil-iency to false recommendations.
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Technology and Energy Conversion Machines - Nowy kopiuj 1
e-Learning CoursesThe course covers the basics of mechanical, electrical and thermal energy production in industry and maritime transport. Describes installations supporting high-power engines. Particular attention has been paid to the fuel systems of internal combustion engines. The treatment of engine exhaust gases is described.
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Systems Engineering Requirements for Rotating Machines (PG-00060237)
e-Learning CoursesTurbiny wiatrowe, gazowe, mikroturbiny, silniki lotnicze, turbosprężarki i inne systemy mechaniczne to przykłady maszyn wirujących, które wymagają wysoko wykwalifikowanych inżynierów. Powinni oni zrozumieć złożoność procesów projektowania i produkcji, w tym wytwarzania przyrostowego, oraz konserwacji prognostycznej opartej na inżynierii cyfrowej dla bezawaryjnej pracy silnika. Wind, gas, micro turbines, aircraft engines, turbochargers,...
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Chemical investigations of the MoO3 doped by K films deposited FTO
Open Research DataMoO3 thin films were synthesized via thermal annealing of thin, metallic Mo films deposited onto the FTO substrate using a magnetron sputtering system. The influence of photointercalation of alkali metal cation (K+) into the MoO3 structure on the photoelectrochemical properties of the molybdenum trioxide films was investigated. The chemical characterisation...
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Calculations of labyrinth seals with and without diagnostic extraction in fluid-flow machines
PublicationLabyrinth seals are essential components of steam turbine unit constructions. Two types of labyrinth seals can be named, the first of which is the seal without diagnostic steam extraction, and the second – with extraction. The distribution of flow parameters along the packing is affected remarkably by the average seal clearance. The presence of diagnostic extraction leads to the equation system which is determinable and can be...
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Energy-Saving Inertial Drive for Dual-Frequency Excitation of Vibrating Machines
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Non-Linear Control of Electrical Machines Using Non-Linear Feedback
PublicationPrzedstawiono zasady nieliniowego sterowania oraz zastosowanie nielinowego sprzężenia zwrotnego do maszyn elektrycznych. Opisano nieliniowe sterowanie obcowzbudnym silnikiem prądu stałego. Zaprezentowano multiskalarne modele maszyn prądu przemiennego. Maszynę indukcyjną zamodelowano z wykorzystaniem strumienia wirnika oraz z wykorzystaniem strumienia stojana. MMultiskalarne modele maszyny indukcyjnej wykorzystano do nieliniowego...
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Modelling electrical machines using bond graphs for mechatronics system applications.
PublicationW artykule przedstawiono modelowanie maszyn elektrycznych metodą grafów wiązań dla potrzeb mechatroniki. Omówiono ogólne założenia modelowania maszyn elektrycznych w ujęciu grafów wiązań, bazującego na modelach wzorcowego sprzężenia transformatorowego i elektromechanicznego. Wykorzystując modele tych sprzężeń przedstawiono w ujęciu grafów wiązań model maszyny indukcyjnej w układzie współrzędnych naturalnych stojana. Model opracowano...
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Analyses of static displacements of a spindle apllied in typical circular sawing machines
PublicationW pracy przedstawiono analizę właściwości statycznych wrzeciona stosowanego w typowych pilarkach tarczowych. Zdefiniowano umowną oś obrotu wrzeciona pilarki tarczowej, która odpowiada geometrycznemu środkowi otworu piły tarczowej. W obliczeniach wyznaczono przemieszczenia umownej osi obrotu wrzeciona, wskaźnik sztywności wrzeciona oraz przemieszczenie poprzeczne piły.
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Identification and non-integer order modelling of synchronous machines operating as generator
PublicationThis paper presents an original mathematical model of a synchronous generator using derivatives of fractional order. In contrast to classical models composed of a large number of R-L ladders, it comprises half-order impedances, which enable the accurate description of the electromagnetic induction phenomena in a wide frequency range, while minimizing the order and number of model parameters. The proposed model takes into account...
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Analytical predictions for the buckling of a nanoplate subjected to non-uniform compression based on the four-variable plate theory
PublicationIn the present study, the buckling analysis of the rectangular nanoplate under biaxial non-uniform compression using the modified couple stress continuum theory with various boundary conditions has been considered. The simplified first order shear deformation theory (S-FSDT) has been employed and the governing differential equations have been obtained using the Hamilton’s principle. An analytical approach has been applied to obtain...
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Buckling Analysis of a Micro Composite Plate with Nano Coating Based on the Modified Couple Stress Theory
PublicationThe present study investigates the buckling of a thick sandwich plate under the biaxial non-uniform compression using the modified couple stress theory with various boundary conditions. For this purpose, the top and bottom faces are orthotropic graphene sheets and for the central core the isotropic soft materials are investigated. The simplified first order shear deformation theory (S-FSDT) is employed and the governing differential...
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Depth profile of the chemical composition of the Au-Ag multilayers
Open Research DataSilver and gold multilayers were deposited on a silicon substrate by magnetron sputtering method. Both type, Au and Ag thin films had 2 nm of thickness. Totally structure had thickness of 6 nm (Au-Ag-Au). That prepared multilayers were measured by XPS method. To obtain a depth profile of chemical composition, an Argon ion (Ar+) gun was used for etching...
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FOOD AND CHEMICAL TOXICOLOGY
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The speciation and physico-chemical forms of metals in surface waters and sediments
PublicationWody powierzchniowe mogą być zanieczyszczone przez metale występujące w różnych formach fizykochemicznych przez metale w postaci jonowej jak i również metale związane z materia zawieszoną. Substancje nierozpuszczone występujące w postaci koloidów lub w postaci zaabsorbowanej na powierzchni materii zawieszonej mogą ulegać procesowi rozpuszczania w odpowiedzi na zamianę warunków chemicznych i fizycznych środowiska wodnego.Również...
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Grand Challenges on the Theory of Modeling and Simulation
PublicationModeling & Simulation (M&S) is used in many different fields and has made many significant contributions. As a field in its own right, there have been many advances in methodologies and technologies. In 2002 a workshop was held in Dagstuhl, Germany, to reflect on the grand challenges facing M&S. Ten years on, a series of M& S Grand Challenge activities are marking a decade of progress and are providing an opportunity to reflect...