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wszystkich: 669
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Wyniki wyszukiwania dla: modeling applications
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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublikacjaGlycosaminoglcyans (GAGs), linear anionic periodic polysaccharides, are crucial for many biologically relevant functions in the extracellular matrix. By interacting with proteins GAGs mediate processes such as cancer development, cell proliferation and the onset of neurodegenerative diseases. Despite this eminent importance of GAGs, they still represent a limited focus for the computational community in comparison to other classes...
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Finite element modeling of plastic hinges based on ductility demand-capacity method using nonlinear material for dynamic analysis
PublikacjaThe article discusses modeling plastic hinges in reinforced concrete interme-diate supports using finite elements methods. The ductility demand-capacitymethod was used to determine the geometrical parameters of cross-section plas-ticization zones, their ability to move and rotate, as well as their ductility. Dueto the varied geometry and stiffness of the supports and their nonlinear behav-ior under dynamic load, this method was...
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Modeling of Electrodynamic Phenomena in an Ultra-Rapid Inductive–Dynamic Actuator as Applied to Hybrid Short-Circuit Breakers - A Review Study
PublikacjaThis article is a study of the research development of electrodynamic phenomena occurring in ultra-fast electrodynamic drives. These types of linear drives are among the fastest, not only because of the huge accelerations achieved, but, above all, because of the extremely short reaction time. For this reason, electrodynamic drives are used in hybrid short-circuit breakers. The phenomena occurring in this type of drive are actually...
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Development of Strategies for AOB and NOB Competition Supported by Mathematical Modeling in Terms of Successful Deammonification Implementation for Energy-Efficient WWTPs
PublikacjaNovel technologies such as partial nitritation (PN) and partial denitritation (PDN) could be combined with the anammox-based process in order to alleviate energy input. The former combination, also noted as deammonification, has been intensively studied in a frame of lab and full-scale wastewater treatment in order to optimize operational costs and process efficiency. For the deammonification process, key functional microbes include...
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Efficient Surrogate Modeling and Design Optimization of Compact Integrated On-Chip Inductors Based on Multi-Fidelity EM Simulation Models
PublikacjaHigh-performance and small-size on-chip inductors play a critical role in contemporary radio-frequency integrated circuits. This work presents a reliable surrogate modeling technique combining low-fidelity EM simulation models, response surface approximations based on kriging interpolation, and space mapping technology. The reported method is useful for the development of broadband and highly accurate data-driven models of integrated...
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Modeling of small molecule's affinity to phospholipids using IAM-HPLC and QSRR approach enhanced by similarity-based machine algorithms
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Prediction of Stress and Deformation Caused by Magnetic Attraction Force in Modulation Elements in a Magnetically Geared Machine Using Subdomain Modeling
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Modeling of soft N, M and L X-ray lines from tungsten relevant to plasma parameters in the WEST tokamak
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Hard and Soft Modeling Tools and Approaches to Data and Information Management in Real-Life Projects and Systems : special issue editorial
PublikacjaOmówiono miękkie oraz twarde narzędzia służące do modelowania i symulacji przepływów dużych ilości danych oraz informacji. Przedstawiono mozliwości zastosowania tego typu narzędzi w funkcjonowaniu systemów rzeczywistych.
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Molecular modeling of Gram-positive bacteria peptidoglycan layer, selected glycopeptide antibiotics and vancomycin derivatives modified with sugar moieties
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The role of tungsten in formation of active sites for no SCR on the V-W-O catalyst surface — quantum chemical modeling (DFT)
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Influence of bulky 3,3′-diphenylalanine enantiomers replacing position 2 of AVP analogues on their conformations: NMR and molecular modeling studies
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Variable‐fidelity modeling of antenna input characteristics using domain confinement and two‐stage Gaussian process regression surrogates
PublikacjaThe major bottleneck of electromagnetic (EM)-driven antenna design is the high CPU cost of massive simulations required by parametric optimization, uncertainty quantification, or robust design procedures. Fast surrogate models may be employed to mitigate this issue to a certain extent. Unfortunately, the curse of dimensionality is a serious limiting factor, hindering the construction of conventional data-driven models valid over...
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Modeling flatness deviation in face milling considering angular movement of the machine tool system components and tool flank wear
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Modeling the impact of discretizing rotor angular position on computation of field-oriented current components in high speed electric drives
PublikacjaModern 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
PublikacjaNystatin 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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The evaluation of COD fractionation and modeling as a key factor for appropriate optimization and monitoring of modern cost-effective activated sludge systems
PublikacjaA study was conducted to characterize the raw wastewater entering a modern cost effective municipal WWTP in Poland using two approaches; 1) a combination of modeling and carbonaceous oxygen demand (COD) fractionation using respirometric test coupled with model estimation (RTME) and 2) flocculation/filtration COD fractionation method combined with BOD measurements (FF-BOD). It was observed that the particulate fractions of COD obtained...
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Hard and Soft Modeling Tools and Approaches to Data and Information Management in Real-Life Projects and Systems : special issue editorial
PublikacjaOmówiono różne metody modelowania w zakresie zarządzania danymi i informacją w złożonych systemach rzeczywistych. Podkreślono szczególnie znaczenie modelowania miękkiego w tym zakresie.
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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
PublikacjaW 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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Safety assessment of ships in damaged conditions by the risk-based method. Assessment of damaged ship performance using the CFD modeling
PublikacjaW 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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The impact of precipitation and external carbon source addition on biological nutrient removal in activated sludge systems - experimentalinvestigation and mathematical modeling
PublikacjaThe aim of this study was to determine the effects of chemical precipitation and addition of external carbonsources on the denitrification capability and enhanced biological phosphorus removal (EBPR) interactions atthe 'Wschod' WWTP (600,000 PE) in Gdansk (northern Poland). For this purpose, different kinds of batch experimentswere carried out with the settled wastewater (without pretreatment and after coagulation-flocculation)and...
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Modeling external carbon addition in combined N-P activated sludge systems with an extension of the IWA Activated Sludge Models
PublikacjaThe aim of this study was to expand the IWA Activated Sludge Model No. 2d (ASM2d) to account for a newly defined readily biodegradable substrate that can be consumed by polyphosphate accumulating organisms (PAOs) under anoxic and aerobic conditions, but not under anaerobic conditions. The model change was to add a new substrate component and process terms for its use by PAOs and other heterotrophic bacteria under anoxic and aerobic...
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Modeling external carbon addition in combined N-P activated sludge systems with an extension of the IWA Activated Sludge Models
PublikacjaThe aim of this study was to expand the IWA Activated Sludge Model No. 2d (ASM2d) to account for a newly defined readily biodegradable substrate that can be consumed by polyphosphate accumulating organisms (PAOs) under anoxic and aerobic conditions, but not under anaerobic conditions. The model change was to add a new substrate component and process terms for its use by PAOs and other heterotrophic bacteria under anoxic and aerobic...
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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
PublikacjaThe 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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Elimination of Impulsive Disturbances From Stereo Audio Recordings Using Vector Autoregressive Modeling and Variable-order Kalman Filtering
PublikacjaThis paper presents a new approach to elimination of impulsive disturbances from stereo audio recordings. The proposed solution is based on vector autoregressive modeling of audio signals. Online tracking of signal model parameters is performed using the exponential ly weighted least squares algo- rithm. Detection of noise pulses an d model-based interpolation of the irrevocably distorted sampl es is realized using an adaptive, variable-order...
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Modeling of patterns of shear zones during granular flow in silos using uncoupled ALE-formulation and non-local hypoplasticity
PublikacjaW 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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APPLICATION OF RESPONSE SURFACE MODELING FOR OPTIMIZATION AND DETERMINATION OF MALONDIALDIALDEHYDE BY VORTEX-ASSISTED DISPERSIVE LIQUID-LIQUID MICROEXTRACTION AND GC-FID
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Highly efficient maximum power point tracking control technique for PV system under dynamic operating conditions
PublikacjaThe application of small-scale electrical systems is widespread and the integration of Maximum Power Point Tracking (MPPT) control for Photovoltaic systems with battery applications further enhances the techno-economic feasibility of renewable systems. For this purpose, a novel MPPT control system using Dynamic Group based cooperation optimization (DGBCO) algorithm is utilized for PV systems. The population in the DGBCO is divided...
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High Frequency Conducted Emission in AC Motor Drives Fed By Frequency Converters: Sources and Propagation Paths
PublikacjaProvides a concise and thorough reference for designing electrical and electronic systems that employ adjustable speed drives Electrical and electronic systems that employ adjustable speed drives are being increasingly used in present-day automation applications. They are considered by many application engineers as one of the most interfering components, especially in a contemporarily faced industrial environment. This book fills...
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Assessment and design of greener deep eutectic solvents – A multicriteria decision analysis
PublikacjaDeep eutectic solvents (DES) are often considered as green solvents because of their properties, such as negligible vapor pressure, biodegradability, low toxicity or natural origin of their components. Due to the fact that DES are cheaper than ionic liquids, they have gained many applications in a short period of time. However, claims about their greenness sometimes seem to be exaggerated. Especially, bearing in mind lots of data...
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Estimation of nonstructural stiffness in instrumented steel frames
PublikacjaLateral stiffness of nonstructural components may significantly influence the initial stiffness of the entire structure and consequently alter its dynamic characteristics. While methods for simulating structural members are well-established, approaches for modeling nonstructural components that also participate in seismic response are notably less developed. In this paper a simplified, physically-intuitive approach for estimating...
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Switched-capacitor DC-DC converters in arbitrary switching mode - topologically derived resistive models based on incremental graph approach.
PublikacjaIn the preceding paper we reviewed some of modeling approaches aimed at systematic formulation and solution of switched capacitor DC-DC converters. In our review, special attention was paid to computationally efficient and mathematically elegant methods. In so doing we had tried to demonstrate the virtues of unified Incremental Graph (IG) approach. Incremental Graph is, in concept, a tool originally created for analysis and synthesis...
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Influence of the air phase on water flow in dikes
PublikacjaNumerical models are often used to describe flow and deformation processes occurring in dikes during flood events. Modeling of such phenomena is a challenging task, due to the complexity of the system, consisting of three material phases: soil skeleton, pore water and pore air. Additional difficulties are transient loading caused by variable in time water levels, heterogeneity of the soil or air...
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GIS-based hydrodynamic modeling for urban flood mitigation in fast-growing regions: a case study of Erbil, Kurdistan Region of Iraq
PublikacjaFloods threaten urban infrastructure, especially in residential neighborhoods and fast-growing regions. Flood hydrodynamic modeling helps identify flood-prone locations and improve mitigation plans' resilience. Urban floods pose special issues due to changing land cover and a lack of raw data. Using a GIS-based modeling interface, input files for the hydrodynamic model were developed. The physical basin's properties were identified...
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Low-Cost and Highly-Accurate Behavioral Modeling of Antenna Structures by Means of Knowledge-Based Domain-Constrained Deep Learning Surrogates
PublikacjaThe awareness and practical benefits of behavioral modeling methods have been steadily growing in the antenna engineering community over the last decade or so. Undoubtedly, the most important advantage thereof is a possibility of a dramatic reduction of computational expenses associated with computer-aided design procedures, especially those relying on full-wave electromagnetic (EM) simulations. In particular, the employment of...
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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
PublikacjaOne 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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Effect of Pin Shape on Thermal History of Aluminum-Steel Friction Stir Welded Joint: Computational Fluid Dynamic Modeling and Validation
PublikacjaThis 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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New insights into modeling two-step nitrification in activated sludge systems – The effects of initial biomass concentrations, comammox and heterotrophic activities
PublikacjaIn this study, the conventional two-step nitrification model was extended with complete ammonia oxidation (comammox) and heterotrophic denitrification on soluble microbial products. The data for model calibration/validation were collected at four long-term washout experiments when the solid retention time (SRT) and hydraulic retention time (HRT) were progressively reduced from 4 d to 1 d, with mixed liquor suspended solids (MLSS)...
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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
PublikacjaRozdział 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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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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Conducted emi identification in power electronic converters : modeling of EMI generation and propagation using circuit simulation and wiener filtering methods.
PublikacjaThis work presents the circuit simulations and the conventional signal processing technique (Wiener filtering) in order to reconstruct conducted ElectroMagnetic Interferences (EMI), generated and propagated in power electronics converters. In the simulation study, the most accurate presently available models of components of circuit have been used and improved. The proposed Wiener filtering method allows to identifying the transfer...
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The impact of precipitation and external carbon source addition on biological nutrient removal in activated sludge systems – experimental investigation and mathematical modeling
PublikacjaThe aim of this study was to determine the effects of chemical precipitation and addition of external carbonsources on the denitrification capability and enhanced biological phosphorus removal (EBPR) interactions atthe ‘Wschod’ WWTP (600,000 PE) in Gdansk (northern Poland). For this purpose, different kinds of batch experimentswere carried out with the settled wastewater (without pretreatment and after coagulation-flocculation)and...
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Spectral reflectance modeling of ZnO layers made with Atomic Layer Deposition for application in optical fiber Fabry-Perot interferometric sensors
PublikacjaSuitability of zinc oxide (ZnO) layers grown using Atomic Layer Deposition for operation in optical-fiber extrinsic Fabry-Perot sensors is investigated using a numerical model. Reflectance spectra obtained using the developed model indicate that the application of these layers in optical-fiber extrinsic Fabry-Perot sensors is difficult as it may require a source whose spectrum width is about 300 nm. A series of ZnO layers grown...
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Towards the Application of Structure-Property Relationship Modeling in Materials Science: Predicting the Seebeck Coefficient for Ionic Liquid/Redox Couple Systems
PublikacjaThis work focuses on determining the influence of both ionic liquid (IL) type and redox couple concentration on Seebeck coefficient values of such a system. The quantitative structure property relationship (QSPR) and read-across techniques are proposed as methods to identify structural features of ILs (mixed with LiI/I2 redox couple), which have the most influence on the Seebeck coefficient (Se) values of the system. ILs consisting...
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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
PublikacjaThis 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
PublikacjaThis 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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Experimental investigations and damage growth modeling of EN‐AW 2024 aluminum alloy under LCF loading accounting creep pre‐deformation
PublikacjaThis 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 the Effect of External Carbon Source Addition under Different Electron Acceptor Conditions in Biological Nutrient Removal Activated Sludge Systems
Publikacjahe aim of this study was to expand the International Water Association Activated Sludge Model No. 2d (ASM2d) to predict the aerobic/anoxic behavior of polyphosphate accumulating organisms (PAOs) and “ordinary” heterotrophs in the presence of different external carbon sources and electron acceptors. The following new aspects were considered: (1) a new type of the readily biodegradable substrate, not available for the anaerobic activity...
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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
PublikacjaThis 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...