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Search results for: SYSTEM-OF-SYSTEMS MODELING
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Numerical modeling of PFAS movement through the vadose zone: Influence of plant water uptake and soil organic carbon distribution
PublicationIn this study, we investigated the effects of soil organic carbon (SOC) distribution and water uptake by plant roots on PFAS movement in the vadose zone with a deep groundwater table under temperate, humid climate conditions. Two series of numerical simulations were performed with the HYDRUS computer code, representing the leaching of historical PFOS contamination and the infiltration of water contaminated with PFOA, respectively. We...
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Safety assessment of ships in damaged conditions by the risk-based method. Assessment of damaged ship performance using the CFD modeling
PublicationW pracy przedstawiono aktualny stan badań w zakresie oceny bezpieczeństwa statków w stanie uszkodzonym. Przedstawiono wybrane elementy metody oceny bezpieczeństwa statków w stanie uszkodzonym opartej na analizie ryzyka. Przedstawiono istotę oceny zachowania się statku w stanie uszkodzonym i oceny ryzyka w proponowanej metodzie. Przedstawiono elementy modelowania zachowania się statku w stanie uszkodzonym przy użyciu metody numerycznej...
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A study on the protection of methionine and the reduction of methionine sulfoxide in methionine-containing analogues of the growth-modeling factor Gly-His-Lys
PublicationThe protection of methionine and the reduction of methionine sulfoxide in methionine-containing analogues of Gly-His-Lys are described. The peptides were synthesized by a solid-phase method using the standard Fmoc procedure. Simultaneous deprotection of the peptide side chain and liberation from the resin were achieved using an appropriate TFA cocktail. The TFA cocktail was selected to minimize oxidation of the methionine residue....
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Modeling the impact of discretizing rotor angular position on computation of field-oriented current components in high speed electric drives
PublicationModern drives consist of alternating current electric motors, and the field-oriented control (FOC) of such motors enables fast, precise, and robust regulation of a drive's mechanical variables such as torque, speed, and position. The control algorithm, implemented in a microprocessor, requires feedback from motor currents, and the quality of this feedback is essential to a drive's control properties. Motor phase currents are sampled...
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Intramolecular transformation of an antifungal antibiotic nystatin A1 into its isomer, iso-nystatin A1 - structural and molecular modeling studies
PublicationNystatin 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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Mechanisms positioned in a neighbourhood of their singular positions - velocity amplification in the electromagnetic damping. Part 1 - Background of the mechanical structure modeling
PublicationW pracy przedstawiono metodę modelowania dynamiki drgającego hybrydowego układu mechanicznego złożonego z odkształcalnego podukładu ciągłego oraz z połączonego z nim mechanizmu. U układzie pojawiają się drgania części odkształcalnej. By je wytłumić, ich energia zamieniana jest w energię elektryczną (za pomocą prądnicy prądu stałego) i rozpraszana na oporności obecnej w układzie elektrycznym. Aby przyśpieszyć tłumienie, wprowadzony...
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Modeling of patterns of shear zones during granular flow in silos using uncoupled ALE-formulation and non-local hypoplasticity
PublicationW artykule przedstawiono wyniki numerycznej analizy lokalizacji odkształceń w materiałach granulowanych podczas przepływu w silosach. Obliczenia wykonano przy zastosowaniu metody elementów skończonych w podejściu ALE i mikropolarnego modelu hipoplastycznego. Pokazano wpływ szorstkości ścian silosu i zagęszczenia materiału sypkiego na typ lokalizacji.
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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
PublicationThis 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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Application of different building representation techniques in HEC-RAS 2-D for urban flood modeling using the Toce River experimental case
PublicationThis paper presents the impact of the choice of building representation techniques and hydrodynamic models on urban flood simulations using HEC-RAS 2-D for the Toce River physical model. To this end, eight numerical models based on previous laboratory experiments were prepared to simulate unsteady urban flooding on each side of building units. Two simplified building layouts (aligned and staggered) were examined, where models were...
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublicationOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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Modeling nitrous oxide production by a denitrifying-enhancedbiologically phosphorus removing (EBPR) activated sludge in thepresence of different carbon sources and electron acceptors
PublicationIn this study, the IWA Activated Sludge Model No. 2d (ASM2d) was expanded to identify the most important mechanisms leading to the anoxic nitrous oxide (N2O) production in the combined nitrogen (N) and phosphorus (P) removal activated sludge systems. The new model adopted a three-stage denitrification concept and was evaluated against the measured data from one/two-phase batch experiments carried out with activated sludge withdrawn...
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Expedited Yield Optimization of Narrow- and Multi-Band Antennas Using Performance-Driven Surrogates
PublicationUncertainty quantification is an important aspect of engineering design, also pertaining to the development and performance evaluation of antenna systems. Manufacturing tolerances as well as other types of uncertainties, related to material parameters (e.g., substrate permittivity) or operating conditions (e.g., bending) may affect the antenna characteristics. In the case of narrow- or multi-band antennas, this usually leads to...
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Pharmacological Classification and Activity Evaluation of Furan and Thiophene Amide Derivatives Applying Semi-Empirical ab initio Molecular Modeling Methods
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Imidazolidine-4-one derivatives in the search for novel chemosensitizers of Staphylococcus aureus MRSA: Synthesis, biological evaluation and molecular modeling studies
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Screening of potential inhibitors for COVID-19 main protease from phytoconstituents of Tectona grandis Linn: application of molecular modeling studies
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Rigid Finite Element Modeling for Identification of Vibrations in Elastic in Elastic Rod Driven by a DC-motor Suplied from a Thyristor Rectifier
PublicationRozdział dotyczy analizy numerycznej układu elektromechanicznego. Układ składa się z silnika zasilanego z jednopołówkowego prostownika tysystorowego i napędzanego tym silnikiem wirującego pręta. Celem obliczeń jest określenie postaci i wielkości drgań pręta, jeśli uwzględniamy jego elastyczność. Dyskretna struktura modelu to łańcuch wielomasowy ciał - sztywnych ciał połączonych bezmasowymi węzłami. Autorzy obliczyli zachowanie...
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Effect of Pin Shape on Thermal History of Aluminum-Steel Friction Stir Welded Joint: Computational Fluid Dynamic Modeling and Validation
PublicationThis article studied the effects of pin angle on heat generation and temperature distribution during friction stir welding (FSW) of AA1100 aluminum alloy and St-14 low carbon steel. A validated computational fluid dynamics (CFD) model was implemented to simulate the FSW process. Scanning electron microscopy (SEM) was employed in order to investigate internal materials’ flow. Simulation results revealed that the mechanical work...
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Effects of FSW Tool Plunge Depth on Properties of an Al-Mg-Si Alloy T-Joint: Thermomechanical Modeling and Experimental Evaluation
PublicationOne of the main challenging issues in friction stir welding (FSW) of stiffened structures is maximizing skin and flange mixing. Among the various parameters in FSW that can affect the quality of mixing between skin and flange is tool plunge depth (TPD). In this research, the effects of TPD during FSW of an Al-Mg-Si alloy T-joint are investigated. The computational fluid dynamics (CFD) method can help understand TPD effects on FSW...
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Towards application of uncertainty quantification procedure combined with experimental procedure for assessment of the accuracy of the DEM approach dedicated for granular flow modeling
PublicationThere is a high demand for accurate and fast numerical models for dense granular flows found in many industrial applications. Nevertheless, before numerical model can be used its need to be always validated against experimental data. During the validation, it is important to consider how the measurement data sets, as well as the numerical models, are affected by errors and uncertainties. In this study, the uncertainty quantification...
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Modeling and Accuracy Assessment of Determining the Coastline Course Using Geodetic, Photogrammetric and Satellite Measurement Methods: Case Study in Gdynia Beach in Poland
PublicationThe coastal environment represents a resource from both a natural and economic point of view, but it is subject to continuous transformations due to climate change, human activities, and natural risks. Remote sensing techniques have enormous potential in monitoring coastal areas. However, one of the main tasks is accurately identifying the boundary between waterbodies such as oceans, seas, lakes or rivers, and the land surface....
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Urban flash flood hazard identification and assessment applying geospatial techniques and hydrodynamic modeling; Erbil city case study, Kurdistan Region of Iraq
PublicationThis dissertation aims to investigate the factors behind flash flooding in Erbil's central district, located in the Kurdistan Region of Iraq, and develop a methodology for assessing flood hazards in the city, despite limited data accessibility. In this thesis, each factor was investigated, including analyzing extreme precipitation events in the last two decades, including their spatial and temporal distribution of rainfall, intensity,...
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Modeling the economic dependence between town development policy and increasing energy effectiveness with neural networks. Case study: The town of Zielona Góra
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Modelowanie przepływu wód podziemnych w strefie brzegowej morza - możliwości prognozowania = Groundwater flow modeling in the coastline area - prediction possibilities
PublicationSpecyficzne warunki występowania wód podziemnych w strefie brzegowej morza sprawiają, że ich eksploatacja jest sprawą złożoną i powinna być weryfikowana na modelu numerycznym. Zasadniczym zagrożeniem jest ingresja słonych wód morskich, która może być wzbudzona eksploatacją. Innym czynnikiem, który może przyczynić się do ingresji wód słonych do warstwy wodonośnej może być podniesienie się poziomu morza. W pracy przedstawiono wyniki...
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Synthesis and application of biomass-derived magnetic biochar catalyst for simultaneous esterification and trans-esterification of waste cooking oil into biodiesel: modeling and optimization
PublicationThis work created, characterized, and used a magnetic biochar catalyst that is both eco-friendly and very effective. Sugarcane bagasse was selected as primary raw material for catalyst preparation, because it is renewable and ecofriendly biomass. Cata- lyst created by doping sugarcane bagasse biochar with magnetic material in the form of (FeSO 4 ·7H 2 O). Thermogravimetric Analysis (TGA) and Fourier Transform Infrared spectroscopy...
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Application of Feed Forward Neural Networks for Modeling of Heat Transfer Coefficient During Flow Condensation for Low and High Values of Saturation Temperatur
PublicationMost of the literature models for condensation heat transfer prediction are based on specific experimental parameters and are not general in nature for applications to fluids and non-experimental thermodynamic conditions. Nearly all correlations are created to predict data in normal HVAC conditions below 40°C. High temperature heat pumps operate at much higher parameters. This paper aims to create a general model for the calculation...
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Experimental investigations and damage growth modeling of EN‐AW 2024 aluminum alloy under LCF loading accounting creep pre‐deformation
PublicationThis article presents the results of experimental tests of creep rupture and of low-cycle fatigue (LCF) of EN-AW 2024 aluminum alloy devoid of damage and having preliminary damage. The preliminary damage was dealt in the process of creep at elevated temperature 100C, 200C, and 300C until achievement of two different strain values at each temperature. Samples with preliminary damage were subjected to fatigue tests at room temperature....
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Modeling of Cardiac Component of Subarachnoid Space Changes in Apnoea Resulting as a Function of Blood Pressure and Blood Flow Parameters - Two Mechanizm of Regulation
PublicationExperiments were performed in a group of 19 healthy, non-smoking volunteers. The experiment consisted of three apnoeas, sequentially: 30 s apnoea, 60 s apnoea and maximal, that could be done, apnoea. The breath-hold was separated for 5 minutes rest. The following parameters were measured and obtained for further analysis: blood parameters, artery diameter of the internal carotid artery, end-tidal CO2 in expired air, the cardiac...
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Chemometric modeling of aquatic toxicity of contaminants of emerging concern (CECs) in Dugesia japonica and its interspecies correlation with daphnia and fish: QSTR and QSTTR approaches
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Particle swarm optimization–artificial neural network modeling and optimization of leachable zinc from flour samples by miniaturized homogenous liquid–liquid microextraction
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Least absolute shrinkage and selection operator and dimensionality reduction techniques in quantitative structure retention relationship modeling of retention in hydrophilic interaction liquid chromatography
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New aspects in assessment of changes in width of subarachnoid space with near-infrared transillumination/backscattering sounding, part 1: Monte Carlo numerical modeling
PublicationW pracy wykorzystano zmodyfikowaną metodę Monte Carlo do numerycznego modelowania propagacji promieniowania z zakresu bliskiej podczerwieni w warstwach anatomicznych głowy. Badano efekt zmian szerokości warstwy podpajęczynówkowej pod wpływem tętna na natężenie promieniowania wstecznie rozpraszanego. Przeprowadzone obliczenia pokazały, że możliwe jest monitorowanie zmian tej szerokości na podstawie pomiarów transmisji promieniowania...
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Modeling of Performance And Safety of a Multi-Task Unmanned Autonomous Maritime Vehicle / Modelowanie Ruchu i Bezpieczeństwa Wielozadaniowego Bezzałogowego Autonomicznego Pojazdu Wodnego
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Modelowanie i symulacja zaburzeń przewodzonych z zastosowaniem programów Saber i TCad = Modeling and simulation of conducted emissions with TCad and Saber programs
PublicationPrzedstawiono symulacyjne badania porównawcze w zakresie kompatybilności elektromagnetycznej EMC modelu obwodowego przetwornicy DC-DC podwyższającej napięcie. Wskazano na specyfikę modelowania wynikającą z potrzeby przewidywania propagacji zaburzeń przewodzonych EMI w szerokim zakresie częstotliwości. Wyznaczono model układu dla symulatora Saber i porównano pomiary charakterystyki widma EMI z wynikami otrzymanymi z symulacji. Zbadano...
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Application of chemometric modeling for ionic liquid-based ultrasonic-assisted dispersive liquid-liquid microextraction: Analysis of fosetyl-aluminum in fruit and vegetable samples
PublicationThis manuscript presents a new method for selective extraction and determination of fosetyl-aluminum in fruits and vegetable samples based on ultrasonic-assisted dispersive liquid-liquid microextraction method using ionic liquids (IL-UA-DLLME). A UV-Visible spectrophotometer was used for detection and quantification. Plants used for sample collection were grown under controlled conditions in a greenhouse. Central composite design...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublicationThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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Modeling and control of a redundantly actuated variable mass 3RRR planar manipulator controlled by a model-based feedforward and a model-based-proportional-derivative feedforward–feedback controller
PublicationIn the paper, dynamics of a complex mechatronics system is considered. A redundantly actuated planar manipulator is the base of the mechanical part of it. It is a 3RRR 1 platform based parallel manipulator. To control its trajectory, a model-based feedforward controller is employed. Three aspects are fundamental in the presented investigations. The first focus is on development of an accurate numerical model used to solve the inverse...
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Molecular modeling study of tectoquinone and acteoside from Tectona grandis linn: a new SARS-CoV-2 main protease inhibitor against COVID-19
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Exploiting the S4–S5 Specificity of Human Neutrophil Proteinase 3 to Improve the Potency of Peptidyl Di(chlorophenyl)-phosphonate Ester Inhibitors: A Kinetic and Molecular Modeling Analysis
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Adsorption of lead (Pb-II) using CaO-NPs synthesized by solgel process from hen eggshell: Response surface methodology for modeling, optimization and kinetic studies
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ESCASA : Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance ‐assisted protein structure modeling. I. Backbone and Hβ protons
PublicationA method for the estimation of coordinates of atoms in proteins from coarse-grained geometry by simple analytical formulas (ESCASA), for use in nuclear-magnetic-resonance (NMR) data-assisted coarse-grained simulations of proteins is proposed. In this paper, the formulas for the backbone Hα and amide (HN) protons, and the side-chain Hβ protons, given the Cα-trace, have been derived and parameterized, by using the interproton distances...
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System pozycjonowania dynamicznego morskich jednostek pływających jako system mechatroniczny
PublicationW artykule przedstawiano system pozycjonowania dynamicznego półzanurzeniowej platformy wiertniczej, który jest rozpatrywany jako system mechatroniczny. W szczególności zaś zaprezentowano systemy referencyjne utrzymania stanowiska pozycyjnego na morzu, urządzenia nawigacyjne, czujniki ruchów własnych jednostki pływającej i anemometry rozważane jako czujniki systemu mechatronicznego oraz pędniki azymutalne rozważane jako nastawniki...
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Ionic liquid-assisted sol-gel synthesis of Fe2O3-TiO2 for enhanced photocatalytic degradation of bisphenol a under UV illumination: Modeling and optimization using response surface methodology
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Solutions of Power Electronics Converter for the Shore - to - Ship Power Systems
PublicationW artykule poruszono tematykę zasilania statków zacumowanych w porcie z lądowej sieci elektroenergetycznej poprzez wykorzystanie nowoczesnych konstrukcji przekształtników energoelektronicznych. Zaproponowano budowę sieci dystrybucyjnej prądu stałego, przewoźnej platformy zasilającej oraz zastosowanie zasobników energii
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Modeling and optimizing the removal of cadmium by Sinapis alba L. from contaminated soil via Response Surface Methodology and Artificial Neural Networks during assisted phytoremediation with sewage sludge
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Modelowanie bezpiecznika rozłącznikowego w układach formowania impulsów wielkiej mocy
PublicationProblem modelowania bezpieczników o dużej dynamice wyłączania prądu jest zagadnieniem szeroko opisywanym w literaturze. Układy takie mogą być wykorzystane w szczególności do formowania impulsów wysokiego napięcia o wartościach rzędu setek kV, charakteryzujących się czasem trwania rzędu ułamka μs. W niniejszej pracy przedstawiono empiryczny model bezpiecznika wielotopikowego, rozszerzony w oparciu o wyniki badań eksperymentalnych.
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Uproszone modelowanie sieci dystrybucyjnej na potrzeby analiz przyłączeniowych
PublicationW artykule przedstawiono rozważania na temat sposobu modelowania sieci średniego (SN) i niskiego (nn) napięcia na potrzeby wykonywania analiz przyłączeniowych przez operatorów sieci dystrybucyjnej. Przeprowadzono dyskusję na temat możliwych do wykonania uproszczeń w modelowaniu sieci, które są do zaakceptowania z punktu widzenia uzyskiwanego wyniku końcowego. Głównym elementem wymuszającym uproszenia w modelowaniu jest środowisko...
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Modeling of the alcohol dehydrogenase active site. Two different modes of alcohol binding in crystals of zinc and cadmium tri-tert-butoxysilanethiolates evidenced by X-ray diffraction and solid state vibrational spectroscopy
PublicationOpisano syntezę, struktury cząsteczkowe oraz widma FT-IR, 1H. 13C, 29Si, 113Cd NMR dziesięciu nowych, mieszanoligandowych kompleksów cynku i kadmu z ligandem tri-tert-butoksysilanotiolanowym i pochodnymi imidazolu. Za pomocą rentgenowskiej analizy strukturalnej i spektroskopii w podczerwieni udokumentowano dwa różne sposoby wiązania etanolu i metanolu w kryształach tych związków. Opisane kompleksy stanowią modele miejsca aktywnego...
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Stateczność i niezawodność pełnomorskich platform wiertniczych
PublicationW pracy przedstawiono wieloletnie doświadczenia Autora w zakresie wybranych aspektów numerycznej analizy pełnomorskich platform wiertniczych, w szczególności stacjonarnych platform stalowych poddanych działaniu fal wiatrowych i wiatru. W opisie zachowania się platform uwzględniono współoddziaływanie trzech ośrodków: materiału konstrukcji, morskich fal wiatrowych i podłoża gruntowego. Przyjęcie do opisu stochastycznych właściwości...
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Optimization and Modeling of Cr (VI) Removal from Tannery Wastewater onto Activated Carbon Prepared from Coffee Husk and Sulfuric Acid (H2SO4) as Activating Agent by Using Central Composite Design (CCD)
PublicationThe primary goal of this research is to lower the hexavalent chromium (Cr (VI)) concentration that has occurred from the growth of the tannery industry. As a result, the potential for heavy metal concentration is increasing day by day. Industrial effluent containing Cr (VI) contributes significantly to water pollution. Chromium hexavalent ion (Cr (VI)) in wastewater is extremely hazardous to the environment. It is critical to address...
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Problemy modelowania liczby podróży generowanych i absorbowanych na przykładzie Gdańska
PublicationJedną z podstawowych danych niezbędnych do planowania elementów systemu transportowego jest informacja o liczbie podróży odbywanych na analizowanym obszarze. Dane te uzyskiwane są najczęściej za pomocą symulacyjnych modeli transportowych. Jednym z istotnych elementów i pierwszym etapem najczęściej stosowanego, klasycznego modelu czterostopniowego jest modelowanie liczby podróży generowanych i absorbowanych, podczas którego to...