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Wyniki wyszukiwania dla: Molecular dynamics simulations
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A Ship Domain-Based Method of Determining Action Distances for Evasive Manoeuvres in Stand-On Situations
PublikacjaA ship encounter can be considered safe if neither of ships’ domains (defined areas around ships) is intruded by other ships. Published research on this includes optimising collision avoidancemanoeuvres fulfilling domain-based safety conditions.However, until recently there was no method, using ship’s domain to determine exact moment when a particular collision avoidance manoeuvre can still be successfully performed. The authors...
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Local Nusselt number evaluation in the case of jet impingement
PublikacjaJet impingement still is one of demanding cases regarding computational fluid dynamics, due to its highly turbulent behaviour, with occurrence of turbulent-laminar transition. Even recently developed methods exhibit some drawbacks – RANS based simulations lack accuracy, LES and DNS based ones require too much computational time. Hybrid methods also exist, but their development and validation is in progress. Nevertheless, CFD application...
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Smart acoustic band structures
PublikacjaSmart acoustic band structures exhibit very interesting and non-standard physical properties due to the periodic nature of their certain characteristic on different scale levels. They manifest mostly in their frequency spectra as socalled frequency band-gaps or stop-bands, what has a great impact on the behaviour of these structures in relation to the propagation of vibro-acoustic signals that can be transmitted through the structures...
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Asynchronous Charge Carrier Injection in Perovskite Light-Emitting Transistors
PublikacjaUnbalanced mobility and injection of charge carriers in metal-halide perovskite light-emitting devices pose severe limitations to the efficiency and response time of the electroluminescence. Modulation of gate bias in methylammonium lead iodide light-emitting transistors has proven effective in increasing the brightness of light emission up to MHz frequencies. In this work, a new approach is developed to improve charge carrier...
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Two bacterial small heat shock proteins, IbpA and IbpB, form a functional heterodimer
PublikacjaSmall heat shock proteins (sHsps) are a conserved class of ATP-independent chaperones which in stress conditions bind to unfolded protein substrates and prevent their irreversible aggregation. Substrates trapped in sHsps-containing aggregates are efficiently refolded into native structures by ATP-dependent Hsp70 and Hsp100 chaperones. Most γ-proteobacteria possess a single sHsp (IbpA), while in a subset of Enterobacterales, as...
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Maxillary sinus aeration analysis using computational fluid dynamics
PublikacjaThe maxillary sinus aeration using the computational fluid dynamics (CFD) method based on individual adult patients’ computed tomography (CT) scans were analyzed. The analysis was based on CT images of 4 patients: one with normal nose anatomy and three with nasal septal deviation (NSD) and concha bullosa (CB). The CFD simulation was performed using the Reynolds-Average Simulation approach and turbulence closure based on linear...
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A BODIPY‐Based Molecular Rotor in Giant Unilamellar Vesicles: A Case Study by Polarization‐Resolved Time‐Resolved Emission and Transient Absorption Spectroscopy
PublikacjaBODIPY and BODIPY-derived systems are widely applied as fluorophores and as probes for viscosity detection in solvents and biological media. Their orientational and rotational dynamics in biological media are thus of vital mechanistic importance and extensively investigated. In this contribution, polarization-resolved confocal microscopy is used to determine the orientation of an amphiphilic BODIPY-cholesterol derivative in homogeneous...
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Unusual dynamics and nonlinear thermal self-focusing of initially focused magnetoacoustic beams in a plasma
PublikacjaUnusual thermal self-focusing of two-dimensional beams in plasma which axis is parallel to the equilibrium straight magnetic field is considered. The equi- librium parameters of plasma determine scenario of a beam divergence (usual or unusual) which is stronger as compared with a flow without magnetic field. Nonlinear thermal self-action of a magnetosonic beam behaves differently in the ordinary and unusual cases. Damping of wave...
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Uncertainty Quantification in Experimental Structural Dynamics Identification of Composite Material Structures
PublikacjaComposite materials are widely used in manufacture of aerospace and wind energy structural components. These load carrying structures are subjected to dynamic time-varying loading conditions. Robust structural dynamics identification procedure impose tight constraints on the quality of modal models estimates obtained from vibration experiments. Modal testing results are influenced by numerous factors introducing uncertainty to...
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Robust Monitoring of Water Quality in Drinking Water Distribution System
PublikacjaThe paper develops a novel open loop set bounded observer for robust estimation of water quality in DWDS based on the advanced nonlinear quality dynamics model including disinfections by-products (DBPs). The observer utilises a cooperativeness of the quality dynamics model and is computationally efficient, hence applicable to on-line quality monitoring. The simulation results illustrate its good and sustainable performance.
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Deep eutectic solvents – Ideal solution for clean air or hidden danger?
PublikacjaThe industrial sector is one of the fastest-growing sources of greenhouse gases, due to its excessive energy consumption to meet the rapidly growing demand for energy-intensive products. The use of deep eutectic solvents (DESs) has been studied extensively in order to cope with these harmful gases, but their usage can be an issue in respect to ecological reasons. Do deep eutectic solvents harm the atmosphere? Yes, these solvents...
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Autocorrelation function for the chosen effective potential of the diatomic silver anion
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Non-adiabatic coupling elements between the diatomic silver anion and neutral silver dimer plus continuum electron
Dane BadawczeThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...
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Cosmic-Time Quantum Mechanics and the Passage-of-Time Problem
PublikacjaA new dynamical paradigm merging quantum dynamics with cosmology is discussed.
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New kinematic systems in single-sided lapping and their influence on lap wear
PublikacjaPrevious studies on one-sided lapping allow to state that not only parameters of lapping elements (i.e. properties of workpiece, abrasive grains and lapping plate) impact on a lapping efficiency. Influential are also kinematics and dynamics of the process. It is crucial to control an average velocity of lapping (v), a distribution of tangential acceleration (at), a nominal pressure (p), a lapping time (t) and disposal of workpiece...
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Ship domain applied to determining distances for collision avoidance manoeuvres in give-way situations
PublikacjaShip domain is often used in marine navigation and marine traffic engineering as a safety condition. The basic idea behind those applications is that an encounter of two or more ships can be considered safe if neither of ship domains is intruded by other ships. Research utilising this approach has been documented in numerous works, including publications on optimising collision avoidance manoeuvres performed to fulfil domain-based...
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The retrofitting of ships by applying retractable bow hydrofoils: a case study
PublikacjaIncreasing environmental requirements and a relatively long ship life of 30 years mean more attention is needed to retrofit existing ships. One possibility is using hydrofoils to reduce the ship’s resistance and improve comfort and safety in rough sea conditions. This study investigates the influence of retractable bow hydrofoils on the seakeeping performance and operational conditions of a selected case study vessel (V-shaped...
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Detection and Model of Thermal Traces Left after Aggressive Behavior of Laboratory Rodents
PublikacjaAutomation of complex social behavior analysis of experimental animals would allow for faster, more accurate and reliable research results in many biological, pharmacological, and medical fields. However, there are behaviors that are not only difficult to detect for the computer, but also for the human observer. Here, we present an analysis of the method for identifying aggressive behavior in thermal images by detecting traces...
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Parametric Study on a Performance of a Small Counter-Rotating Wind Turbine
PublikacjaA small Counter-Rotating Wind Turbine (CRWT) has been proposed and its performancehas been investigated numerically. Results of a parametric study have been presented in this paper.As parameters, the axial distance between rotors and a tip speed ratio of each rotor have been selected.Performance parameters have been compared with reference to a Single Rotor Wind Turbine (SRWT).Simulations were carried out with Computational Fluids...
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Two examples of Quantum Dynamical Semigroups
PublikacjaThe Hamiltonians of the considered bi-partite systems are of the form $$ H_{S,R} = H_S /times 1_R + Q_{S} /times M_R + 1_S /times H_R $$ Subindex $S$ corresponds to the observed system and $R$ to the reservoir (the enviroment of $S$). Two classes of systems are distinguished: the discrete-continuous...
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Numerical modelling of moored floating structures using SPH. Preliminary results
PublikacjaThis article presents partial results of the works carried out under the research project "The development of the methodof modeling the dynamics of the floating (offshore) objects subjected to the environment influence", which aims at developing computational methods for modeling the dynamics of offshore structures.The article contains the description of the method of modeling the hydrodynamic impacts using SPH method and the description...
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An interval estimator for chlorine monitoring in drinking water distribution systems under uncertain system dynamics, inputs and chlorine concentration measurement errors
PublikacjaThe design of an interval observer for estimation of unmeasured state variables with application to drinking water distribution systems is described. In particular, the design process of such an observer is considered for estimation of the water quality described by the concentration of free chlorine. The interval observer is derived to produce the robust interval bounds on the estimated water quality state variables. The stability...
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Simulations of hydro-fracking in rock mass at meso-scale using fully coupled DEM/CFD approach
PublikacjaThe paper deals with two-dimensional (2D) numerical modelling of hydro-fracking (hydraulic fracturing) in rocks at the meso-scale. A numerical model was developed to characterize the properties of fluid-driven fractures in rocks by combining the discrete element method (DEM) with computational fluid dynamics (CFD). The mechanical behaviour of the rock matrix was simulated with DEM and the behaviour of the fracturing fluid flow...
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Investigating the disease- modifying properties of sclerotiorin in Alzheimer's therapy using acetylcholinesterase inhibition
PublikacjaAlzheimer's disease (AD) is a progressive neurodegenerative disorder caused due to the damage and loss of neurons in specific brain regions. It is the most common form of dementia observed in older people. The symptoms start with memory loss and gradually cause the inability to speak and do day-to-day activities. The cost of caring for those affected individuals is huge and is probably beyond most developing countries capability....
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Mechanism of antifreeze protein functioning and the “anchored clathrate water” concept
PublikacjaIn liquid water, there is a natural tendency to form aggregates that consist of water molecules linked by hydrogen bonds. Such spontaneously formed aggregates are surrounded by a "sea" of disordered water molecules, with both forms remaining in equilibrium. The process of creating water aggregates also takes place in the solvation water of proteins, but in this case the interactions of water molecules with the protein surface shift...
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SELECTED PROBLEMS OF MACHINE DYNAMICS (2024)
Kursy OnlineThe course is devoted towards lectures assocuated with the novel issues of machine and structures dynamics. The following lectures will be given during the SPMD course: - introduction to selected problems of machine dynamics, - definition of the machine and structure working environment, - internal and external loads on machines and structures, - dynamics of machines and structures, - strength of machines and structures, - special...
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Analysis and characterization of coordination compounds by resonance Raman spectroscopy
PublikacjaResonance Raman spectroscopy has become a powerful tool to study excited-state geometries, excited-state charge distributions and photoinduced reaction dynamics in coordination compounds. Due to their rich photophysical properties coordination compounds are utilized for a variety of applications ranging from DNA sensing to photocatalysis. This review features recent applications of various resonance Raman scattering techniques...
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Hierarchical dissolved oxygen control for activated sludge processes
PublikacjaA hierarchical controller for tracking the dissolved oxygen reference trajectory in activated sludge processes is proposed and investigated. The removal of nitrogen and phosphorous from wastewater is considered. Typically, an aeration system itself is a complicated hybrid nonlinear dynamical system with faster dynamics compared to the internal dynamics of the dissolved oxygen in a biological reactor. It is a common approach to...
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Molecular biology GT
Kursy Online -
Sylwester Kaczmarek dr hab. inż.
OsobySylwester Kaczmarek ukończył studia w 1972 roku jako mgr inż. Elektroniki, a doktorat i habilitację uzyskał z technik komutacyjnych i inżynierii ruchu telekomunikacyjnego w 1981 i 1994 roku na Politechnice Gdańskiej. Jego zainteresowania badawcze ukierunkowane są na: sieci IP QoS, sieci GMPLS, sieci SDN, komutację, ruting QoS, inżynierię ruchu telekomunikacyjnego, usługi multimedialne i jakość usług. Aktualnie jego badania skupiają...
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Firing map for periodically and almost-periodically driven integrate-and-fire models: a dynamical systems approach
PublikacjaWe consider the Leaky Integrate-and-Fire and Perfect Integrator models of neuron’s dynamics with the input function being periodic and almost-periodic (in the sense of Stepanov). In particular we analyze properties and dynamics of the so-called firing map, which iterations give timings of consecutive spikes of a neuron. In case of a periodic input function we provide a detailed description of the sequence of interspike-intervals,...
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Analytical modeling of electric drives for vehicle traction control systems
PublikacjaWheel-torque control bandwidth in vehicle dynamics model is crucial in evaluating optimal tracking ability of tire slip and in analysis of control system stability. Electric drives’ control dynamics are influenced by timing of digital control events, e.g. by sampling instant of motor currents. Reflecting this timing in drive analytical models is therefore important for analysis of vehicle traction systems. The paper considers five...
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Deformable model of a butterfly in motion on the example of Attacus atlas
PublikacjaInsect wings can undergo significant chordwise (camber) as well as spanwise (twist) deformation during flapping flight but the effect of these deformations is not well understood. The shape and size of butterfly wings leads to particularly large wing deformations, making them an ideal test case for investigation of these effects. High-speed videogrammetry was used to capture the wing kinematics and deformations. The movements of...
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DETERMINATION OF THE AERODYNAMIC DRAG OF PNEUMATIC LIFE RAFTS AS A FACTOR FOR INCREASING THE RELIABILITY OF RESCUE OPERATIONS
PublikacjaEnsuring the safety of ship crews at sea is of the utmost importance. Life rafts are one of the basic components of any seagoing vessel and ensuring their stability is an important component of maritime research. This study concerns the determination of the aerodynamic drag coefficients of pneumatic life rafts in a full range of wind speed and directions. The drag coefficients are based on full-scale experimental studies and numerical...
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Entropic Measures of Complexity of Short-Term Dynamics of Nocturnal Heartbeats in an Aging Population
PublikacjaTwo entropy-based approaches are investigated to study patterns describing differences in time intervals between consecutive heartbeats. The first method explores matrices arising from networks of transitions constructed following events represented by a time series. The second method considers distributions of ordinal patterns of length three, whereby patterns with repeated values are counted as different patterns. Both methods provide...
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Selected Problems of Machine Dynamics
Kursy OnlineThe following set of lectures is performed: 1. LECTURE No.1 - INTRODUCTION TO SELECTED PROBLEMS OF MACHINE DYNAMICS. STRUCTURES and MACHINES 2. LECTURE No.2 - ENVIRONMENT, LOADS ON STRUCTURES and MACHINES 3. LECTURE No.3 - DYNAMICS of STRUCTURES and MACHINES 4. LECTURE No.4 - STRENGTH of STRUCTURES and MACHINES 5. LECTURE No.5 - SPECIAL PROBLEMS ASSOCIATED with DYNAMICS and STRENGTH of STRUCTURES and MACHINES
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Theoretical examination of the fracture behavior of BC3 polycrystalline nanosheets: Effect of crack size and temperature
Publikacja2D carbon graphene nanostructures are elements of advanced materials and systems. This theoretical survey provides explanation to the mechanical and fracture behavior of mono- and polycrystalline BC3 nanosheets (denoted as MC- and PCBC3NS, respectively) as a function of temperature and the type of crack defects. The mechanical performance of PCBC3NS at elevated temperatures was monitored varying the number of grain boundaries (the...
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Frequency and time domain characteristics of digital control of electric vehicle in-wheel drives
PublikacjaIn-wheel electric drives are promising as actuators in active safety systems of electric and hybrid vehicles. This new function requires dedicated control algorithms, making it essential to deliver models that reflect better the wheel-torque control dynamics of electric drives. The timing of digital control events, whose importance is stressed in current research, still lacks an analytical description allowing for modeling its...
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Fitting the mobile device characteristics to the user's hearing preferences
PublikacjaA method for fitting the mobile computer audio characteristics to the user's hearing preferences is proposed. The process consists of two stages: calibration and dynamics processing. During the calibration phase the user performs a loudness scaling test giving their response regarding the perceived loudness. The dynamics processing made on above basis sets the loudness to the most comfortable level. The processing accounts both...
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Anti-plane waves in an elastic thin strip with surface energy
PublikacjaWe consider anti-plane motions of an elastic plate taking into account surface energy within the linear Gurtin–Murdoch surface elasticity. Two boundary-value problems are considered that describe complete shear dynamics of a plate with free faces or with free and clamped faces, respectively. These problems correspond to anti-plane dynamics of an elastic film perfectly or non-perfectly attached to a rigid substrate. Detailed analysis...
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Dynamic Signature Vertical Partitioning Using Selected Population-Based Algorithms
PublikacjaThe dynamic signature is a biometric attribute used for identity verification. It contains information on dynamics of the signing process. There are many approaches to the dynamic signature verification, including the one based on signature partitioning. Partitions are the regions created on the basis of signals describing the dynamics of the signature. They contain information on the shape of the signature characteristic of a...
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Computational fluid dynamics simulation of heat transfer from densely packed gold nanoparticles to isotropic media
PublikacjaThis work aims to determine and compare heat generation and propagation of densely packed gold nanoparticles (Au NPs) induced by a resonant laser beam (532 nm) according to the Mie theory. The heat flux propagation is transferred into the materials, which here are: silica glass; soda-lime-silica glass; borosilicate glass; polymethyl methacrylate (PMMA); polycarbonate (PC); and polydimetylosiloxane (PDMS). This analysis aims to...
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Executing Multiple Simulations in the MERPSYS Environment
PublikacjaThe chapter investigates the steps necessary to perform a simulation instance in the MERPSYS environment and discusses potential limitations in case when vast numbers of simulations are required. An extended architecture is proposed which includes a JMS-based simulation queue and multiple distributed simulators, overcoming the potential bottlenecks. The chapter introduces also methods for preparing suites of multiple simulations...
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Multi-fidelity aerodynamic design trade-off exploration using point-by-point Pareto set identification
PublikacjaAerodynamic design is inherently a multi-objective optimization (MOO) problem. Determining the best possible trade-offs between conflicting aerodynamic objectives can be computationally challenging when carried out directly at the level of high-fidelity computational fluid dynamics simulations. This paper presents a computationally cheap methodology for exploration of aerodynamic design trade-offs. In particular, point-by-point...
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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...
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Nilpotent singularities and chaos: Tritrophic food chains
PublikacjaLocal bifurcation theory is used to prove the existence of chaotic dynamics in two well-known models of tritrophic food chains. To the best of our knowledge, the simplest technique to guarantee the emergence of strange attractors in a given family of vector fields consists of finding a 3-dimensional nilpotent singularity of codimension 3 and verifying some generic algebraic conditions. We provide the essential background regarding...
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Topological-numerical analysis of a two-dimensional discrete neuron model
PublikacjaWe conduct computer-assisted analysis of a two-dimensional model of a neuron introduced by Chialvo in 1995 [Chaos, Solitons Fractals 5, 461–479]. We apply the method of rigorous analysis of global dynamics based on a set-oriented topological approach, introduced by Arai et al. in 2009 [SIAM J. Appl. Dyn. Syst. 8, 757–789] and improved and expanded afterward. Additionally, we introduce a new algorithm to analyze the return times...
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Human subarachnoid space width oscillations in the resting state
PublikacjaAbnormal cerebrospinal fluid (CSF) pulsatility has been implicated in patients suffering from various diseases, including multiple sclerosis and hypertension. CSF pulsatility results in subarachnoid space (SAS) width changes, which can be measured with near-infrared transillumination backscattering sounding (NIR-T/BSS). The aim of this study was to combine NIR-T/BSS and wavelet analysis methods to characterise the dynamics of the...
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Combining Computational Fluid Dynamics with a Biokinetic Model for Predicting Ammonia and Phosphate Behavior in Aeration Tanks
PublikacjaThe aim of this study was to use computational fluid dynamics for predicting the behavior of reactive pollutants (ammonia and phosphate) in the aerobic zone of the bioreactor located at the Wschod wastewater treatment plant in Gdansk, Poland. The one-dimensional advection-dispersion equation was combined with simple biokinetic models incorporating the Monod-type expressions as source terms for the two pollutants. The problem was...
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Selected Problems of Machine Dynamics II
Kursy OnlineThe following set of lectures is performed: 1. LECTURE No.1 - INTRODUCTION TO SELECTED PROBLEMS OF MACHINE DYNAMICS. STRUCTURES and MACHINES 2. LECTURE No.2 - ENVIRONMENT, LOADS ON STRUCTURES and MACHINES 3. LECTURE No.3 - DYNAMICS of STRUCTURES and MACHINES 4. LECTURE No.4 - STRENGTH of STRUCTURES and MACHINES 5. LECTURE No.5 - SPECIAL PROBLEMS ASSOCIATED with DYNAMICS and STRENGTH of STRUCTURES and MACHINES