Search results for: neurovascular coupling (NVC)
144 A Crystallization Kinetic Model for Long Fiber-Based Composite with Thermoplastic Semicrystalline Polymer Matrix
Authors: Nicolas Bigot, M'hamed Boutaous, Nahiene Hamila, Shihe Xin
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Composite materials with polymer matrices are widely used in most industrial areas, particularly in aeronautical and automotive ones. Thanks to the development of a high-performance thermoplastic semicrystalline polymer matrix, those materials exhibit more and more efficient properties. The polymer matrix in composite materials can manifest a specific crystalline structure characteristic of crystallization in a fibrous medium. In order to guarantee a good mechanical behavior of structures and to optimize their performances, it is necessary to define realistic mechanical constitutive laws of such materials considering their physical structure. The interaction between fibers and matrix is a key factor in the mechanical behavior of composite materials. Transcrystallization phenomena which develops in the matrix around the fibers constitute the interphase which greatly affects and governs the nature of the fiber-matrix interaction. Hence, it becomes fundamental to quantify its impact on the thermo-mechanical behavior of composites material in relationship with processing conditions. In this work, we propose a numerical model coupling the thermal and crystallization kinetics in long fiber-based composite materials, considering both the spherulitic and transcrystalline types of the induced structures. After validation of the model with comparison to results from the literature and noticing a good correlation, a parametric study has been led on the effects of the thermal kinetics, the fibers volume fractions, the deformation, and the pressure on the crystallization rate in the material, under processing conditions. The ratio of the transcrystallinity is highlighted and analyzed with regard to the thermal kinetics and gradients in the material. Experimental results on the process are foreseen and pave the way to establish a mechanical constitutive law describing, with the introduction of the role on the crystallization rates and types on the thermo-mechanical behavior of composites materials.Keywords: composite materials, crystallization, heat transfer, modeling, transcrystallization
Procedia PDF Downloads 192143 Coordination of Traffic Signals on Arterial Streets in Duhok City
Authors: Dilshad Ali Mohammed, Ziyad Nayef Shamsulddin Aldoski, Millet Salim Mohammed
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The increase in levels of traffic congestion along urban signalized arterials needs efficient traffic management. The application of traffic signal coordination can improve the traffic operation and safety for a series of signalized intersection along the arterials. The objective of this study is to evaluate the benefits achievable through actuated traffic signal coordination and make a comparison in control delay against the same signalized intersection in case of being isolated. To accomplish this purpose, a series of eight signalized intersections located on two major arterials in Duhok City was chosen for conducting the study. Traffic data (traffic volumes, link and approach speeds, and passenger car equivalent) were collected at peak hours. Various methods had been used for collecting data such as video recording technique, moving vehicle method and manual methods. Geometric and signalization data were also collected for the purpose of the study. The coupling index had been calculated to check the coordination attainability, and then time space diagrams were constructed representing one-way coordination for the intersections on Barzani and Zakho Streets, and others represented two-way coordination for the intersections on Zakho Street with accepted progression bandwidth efficiency. The results of this study show great progression bandwidth of 54 seconds for east direction coordination and 17 seconds for west direction coordination on Barzani Street under suggested controlled speed of 60 kph agreeable with the present data. For Zakho Street, the progression bandwidth is 19 seconds for east direction coordination and 18 seconds for west direction coordination under suggested controlled speed of 40 kph. The results show that traffic signal coordination had led to high reduction in intersection control delays on both arterials.Keywords: bandwidth, congestion, coordination, traffic, signals, streets
Procedia PDF Downloads 306142 Optimal Design of a PV/Diesel Hybrid System for Decentralized Areas through Economic Criteria
Authors: David B. Tsuanyo, Didier Aussel, Yao Azoumah, Pierre Neveu
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An innovative concept called “Flexy-Energy”is developing at 2iE. This concept aims to produce electricity at lower cost by smartly mix different available energies sources in accordance to the load profile of the region. With a higher solar irradiation and due to the fact that Diesel generator are massively used in sub-Saharan rural areas, PV/Diesel hybrid systems could be a good application of this concept and a good solution to electrify this region, provided they are reliable, cost effective and economically attractive to investors. Presentation of the developed approach is the aims of this paper. The PV/Diesel hybrid system designed consists to produce electricity and/or heat from a coupling between Diesel gensets and PV panels without batteries storage, while ensuring the substitution of gasoil by bio-fuels available in the area where the system will be installed. The optimal design of this system is based on his technical performances; the Life Cycle Cost (LCC) and Levelized Cost of Energy are developed and use as economic criteria. The Net Present Value (NPV), the internal rate of return (IRR) and the discounted payback (DPB) are also evaluated according to dual electricity pricing (in sunny and unsunny hours). The PV/Diesel hybrid system obtained is compared to the standalone Diesel gensets. The approach carried out in this paper has been applied to Siby village in Mali (Latitude 12 ° 23'N 8 ° 20'W) with 295 kWh as daily demand. This approach provides optimal physical characteristics (size of the components, number of component) and dynamical characteristics in real time (number of Diesel generator on, their load rate, fuel specific consumptions, and PV penetration rate) of the system. The system obtained is slightly cost effective; but could be improved with optimized tariffing strategies.Keywords: investments criteria, optimization, PV hybrid, sizing, rural electrification
Procedia PDF Downloads 441141 A Monolithic Arbitrary Lagrangian-Eulerian Finite Element Strategy for Partly Submerged Solid in Incompressible Fluid with Mortar Method for Modeling the Contact Surface
Authors: Suman Dutta, Manish Agrawal, C. S. Jog
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Accurate computation of hydrodynamic forces on floating structures and their deformation finds application in the ocean and naval engineering and wave energy harvesting. This manuscript presents a monolithic, finite element strategy for fluid-structure interaction involving hyper-elastic solids partly submerged in an incompressible fluid. A velocity-based Arbitrary Lagrangian-Eulerian (ALE) formulation has been used for the fluid and a displacement-based Lagrangian approach has been used for the solid. The flexibility of the ALE technique permits us to treat the free surface of the fluid as a Lagrangian entity. At the interface, the continuity of displacement, velocity and traction are enforced using the mortar method. In the mortar method, the constraints are enforced in a weak sense using the Lagrange multiplier method. In the literature, the mortar method has been shown to be robust in solving various contact mechanics problems. The time-stepping strategy used in this work reduces to the generalized trapezoidal rule in the Eulerian setting. In the Lagrangian limit, in the absence of external load, the algorithm conserves the linear and angular momentum and the total energy of the system. The use of monolithic coupling with an energy-conserving time-stepping strategy gives an unconditionally stable algorithm and allows the user to take large time steps. All the governing equations and boundary conditions have been mapped to the reference configuration. The use of the exact tangent stiffness matrix ensures that the algorithm converges quadratically within each time step. The robustness and good performance of the proposed method are demonstrated by solving benchmark problems from the literature.Keywords: ALE, floating body, fluid-structure interaction, monolithic, mortar method
Procedia PDF Downloads 274140 Chiral Amine Synthesis and Recovery by Using High Molecular Weight Amine Donors
Authors: Claudia Matassa, Matthias Hohne, Dominic Ormerod, Yamini Satyawali
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Chiral amines integrate the backbone of several active pharmaceutical ingredients (APIs) used in modern medicine for the treatment of a vast range of diseases. Despite the demand, their synthesis remains challenging. Besides a range of chemicals and enzymatical methods, chiral amine synthesis using transaminases (EC 2.6.1.W) represents a useful alternative to access this important class of compounds. Even though transaminases exhibit excellent stereo and regioselectivity and the potential for high yield, the reaction suffers from a number of challenges, including the thermodynamic equilibrium, product inhibition, and low substrate solubility. In this work, we demonstrate a membrane assisted strategy for addressing these challenges. It involves the use of high molecular weight (HMW) amine donors for the transaminase-catalyzed synthesis of 4-phenyl-2-butylamine in both aqueous and organic solvent media. In contrast to common amine donors such as alanine or isopropylamine, these large molecules, provided in excess for thermodynamic equilibrium shifting, are easily retained by commercial nanofiltration membranes; thus a selective permeation of the desired smaller product amine is possible. The enzymatic transamination in aqueous media, combined with selective product removal shifted the equilibrium enhancing substrate conversion by an additional 25% compared to the control reaction. Along with very efficient amine product removal, there was undesirable loss of ketone substrate and low product concentration was achieved. The system was therefore further improved by performing the reaction in organic solvent (n-heptane). Coupling the reaction system with membrane-assisted product removal resulted in a highly concentrated and relatively pure ( > 97%) product solution. Moreover, a product yield of 60% was reached, compared to 15% without product removal.Keywords: amine donor, chiral amines, in situ product removal, transamination
Procedia PDF Downloads 154139 Low-Cost Wireless Power Transfer System for Smart Recycling Containers
Authors: Juan Luis Leal, Rafael Maestre, Ovidio López
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As innovation progresses, more possibilities are made available to increase the efficiency and reach of solutions for Smart Cities, most of which require the data provided by the Internet of Things (IoT) devices and may even have higher power requirements such as motors or actuators. A reliable power supply with the lowest maintenance is a requirement for the success of these solutions in the long term. Energy harvesting, mainly solar, becomes the solution of choice in most cases, but only if there is enough power to be harvested, which may depend on the device location (e.g., outdoors vs. indoor). This is the case of Smart Waste Containers with compaction systems, which have moderately high-power requirements, and may be installed in places with little sunlight for solar generation. It should be noted that waste is unloaded from the containers with cranes, so sudden and irregular movements may happen, making wired power unviable. In these cases, a wireless power supply may be a great alternative. This paper proposes a cost-effective two coil resonant wireless power transfer (WPT) system and describes its implementation, which has been carried out within an R&D project and validated in real settings with smart containers. Experimental results prove that the developed system achieves wireless power transmission up to 35W in the range of 5 cm to 1 m with a peak efficiency of 78%. The circuit is operated at relatively low resonant frequencies, which combined with enough wire-to-wire separation between the coil windings, reduce the losses caused by the proximity effect and, therefore, allow the use of common stranded wire instead of Litz wire, this without reducing the efficiency significantly. All these design considerations led to a final system that achieves a high efficiency for the desired charging range, simplifying the energy supply for Smart Containers as well as other devices that may benefit from a cost-effective wireless charging system.Keywords: electromagnetic coupling, resonant wireless charging, smart recycling containers, wireless power transfer
Procedia PDF Downloads 92138 Computational Fluid Dynamics (CFD) Simulation of Transient Flow in a Rectangular Bubble Column Using a Coupled Discrete Phase Model (DPM) and Volume of Fluid (VOF) Model
Authors: Sonia Besbes, Mahmoud El Hajem, Habib Ben Aissia, Jean Yves Champagne, Jacques Jay
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In this work, we present a computational study for the characterization of the flow in a rectangular bubble column. To simulate the dynamic characteristics of the flow, a three-dimensional transient numerical simulations based on a coupled discrete phase model (DPM) and Volume of Fluid (VOF) model are performed. Modeling of bubble column reactor is often carried out under the assumption of a flat liquid surface with a degassing boundary condition. However, the dynamic behavior of the top surface surmounting the liquid phase will to some extent influence the meandering oscillations of the bubble plume. Therefore it is important to capture the surface behavior, and the assumption of a flat surface may not be applicable. So, the modeling approach needs to account for a dynamic liquid surface induced by the rising bubble plume. The volume of fluid (VOF) model was applied for the liquid and top gas which both interacts with bubbles implemented with a discrete phase model. This model treats the bubbles as Lagrangian particles and the liquid and the top gas as Eulerian phases with a sharp interface. Two-way coupling between Eulerian phases and Lagrangian bubbles are accounted for in a single set continuous phase momentum equation for the mixture of the two Eulerian phases. The effect of gas flow rate on the dynamic and time-averaged flow properties was studied. The time averaged liquid velocity field predicted from simulations and from our previous PIV measurements shows that the liquid is entrained up flow in the wake of the bubbles and down flow near the walls. The simulated and measured vertical velocity profiles exhibit a reasonable agreement looking at the minimum velocity values near the walls and the maximum values at the column center.Keywords: bubble column, computational fluid dynamics (CFD), coupled DPM and VOF model, hydrodynamics
Procedia PDF Downloads 387137 Synthesis and Characterization of Water Soluble Ferulic Acid-Grafted Chitosan
Authors: Sarekha Woranuch, Rangrong Yoksan
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Chitosan is a derivative of chitin, which is a second most naturally abundant polysaccharide found in crab shells, shrimp shells, and squid pens. The applications of chitosan in pharmaceutical, cosmetics, food and packaging industries have been reported owing to its general recognition as safe, excellent biodegradability and biocompatibility, as well as ability to form films, membranes, gels, beads, fibers and particles. Nevertheless, chitosan is an amino polysaccharide consisting of strong inter- and intramolecular hydrogen bonds which limit its solubility in neutral pH water resulting in restricted utilization. Chemical modification is an alternative way to impede hydrogen bond formation. The objective of the present research is to improve water solubility and antioxidant activity of chitosan by grafting with ferulic acid. Ferulic acid was grafted onto chitosan at the C-2 position via a carbodiimide-mediated coupling reaction. Different mole ratios of chitosan to ferulic acid (i.e. 1.0:0.0, 1.0:0.5, 1.0:1.0, 1.0:1.5, 1.0:2.0, and 1.0:2.5) and various reaction temperatures (i.e. 40, 60, and 80 °C) were used. The reaction was performed at different times (i.e. 1.5, 3.0, 4.5, and 6.0 h). The obtained ferulic acid-grafted chitosan was characterized by FTIR and 1H NMR technique. The influences of ferulic acid on crystallinity, solubility and radical scavenging activity of chitosan were also investigated. Ferulic acid grafted chitosan was successfully synthesized as confirmed from (i) the appearance of FTIR absorption band at 1517 cm-1 belonging to C=C aromatic ring of ferulic acid and the increased C–H stretching band intensity and (ii) the appearance of proton signals at δ = 6.31-7.67 ppm ascribing to methine protons of ferulic acid. The condition in which the reaction temperature of 60°C, reaction time of 3 h and the mole ratio of chitosan to ferulic acid of 1:1 gave the highest ferulic acid substitution degree, i.e. 0.37. The resulting ferulic acid grafted chitosan was soluble in water (1.3 mg/mL) due to its reduced crystallinity as compared with chitosan and also exhibited 90% greater radical scavenging activity than chitosan. The result suggested the utilization of ferulic acid grafted chitosan as an antioxidant material.Keywords: antioxidant property, chitosan, ferulic acid, grafting
Procedia PDF Downloads 459136 The Food Security and Nutritional Diversity Impacts of Coupling Rural Infrastructure and Value Chain Development: Evidence from a Generalized Propensity Score Analysis
Authors: Latif Apaassongo Ibrahim, Owusu-Addo Ebenezer, Isaac Bonuedo
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Structural barriers - including inadequate infrastructure, poor market linkages, and limited access to financial and extension services - have been the major constraints to improved welfare in the semi-arid regions of Ghana; food insecurity and malnutrition are persistent. The effects of infrastructural improvements as countermeasures are often misdirected by confounding effects of other economic, social, and environmental variables. This study applies Directed Acyclic Graphs (DAGs) to map the causal pathways between infrastructure development and household welfare, identifying key mediators and confounders for one such initiative in Ghana. Then, using Generalized Propensity Score (GPS) and Doubly Robust Estimation (IPWRA), this study evaluates the differential roles of government-supported infrastructure improvements in access and intensity of commercial relative to public infrastructure, on household food security and women’s nutritional diversity given three major value-chain improvements. The main findings suggest that these infrastructure improvements positively impact food security and nutrition, with women’s empowerment and nutritional education acting as key mediators. Market access emerged as a stronger causal mechanism relative to productivity gains in linking infrastructure to improved welfare. Membership in Farmer-Based Organizations (FBOs) and participation in agribusiness linkages further amplified these impacts. However, the effects of infrastructure improvements were less clear when combined with the adoption of climate resilience practices, suggesting potential trade-offs.Keywords: food security, nutrition, infrastructure, market access, women's empowerment, farmer-based organizations, climate resilience, Ghana
Procedia PDF Downloads 6135 Modelling of Exothermic Reactions during Carbon Fibre Manufacturing and Coupling to Surrounding Airflow
Authors: Musa Akdere, Gunnar Seide, Thomas Gries
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Carbon fibres are fibrous materials with a carbon atom amount of more than 90%. They combine excellent mechanicals properties with a very low density. Thus carbon fibre reinforced plastics (CFRP) are very often used in lightweight design and construction. The precursor material is usually polyacrylonitrile (PAN) based and wet-spun. During the production of carbon fibre, the precursor has to be stabilized thermally to withstand the high temperatures of up to 1500 °C which occur during carbonization. Even though carbon fibre has been used since the late 1970s in aerospace application, there is still no general method available to find the optimal production parameters and the trial-and-error approach is most often the only resolution. To have a much better insight into the process the chemical reactions during stabilization have to be analyzed particularly. Therefore, a model of the chemical reactions (cyclization, dehydration, and oxidation) based on the research of Dunham and Edie has been developed. With the presented model, it is possible to perform a complete simulation of the fibre undergoing all zones of stabilization. The fiber bundle is modeled as several circular fibers with a layer of air in-between. Two thermal mechanisms are considered to be the most important: the exothermic reactions inside the fiber and the convective heat transfer between the fiber and the air. The exothermic reactions inside the fibers are modeled as a heat source. Differential scanning calorimetry measurements have been performed to estimate the amount of heat of the reactions. To shorten the required time of a simulation, the number of fibers is decreased by similitude theory. Experiments were conducted to validate the simulation results of the fibre temperature during stabilization. The experiments for the validation were conducted on a pilot scale stabilization oven. To measure the fibre bundle temperature, a new measuring method is developed. The comparison of the results shows that the developed simulation model gives good approximations for the temperature profile of the fibre bundle during the stabilization process.Keywords: carbon fibre, coupled simulation, exothermic reactions, fibre-air-interface
Procedia PDF Downloads 273134 Drug Delivery to Solid Tumor: Effect of Dynamic Capillary Network Induced by Tumor
Authors: Mostafa Sefidgar, Kaamran Raahemifar, Hossein Bazmara, Madjid Soltani
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The computational methods provide condition for investigation related to the process of drug delivery, such as convection and diffusion of drug in extracellular matrices, and drug extravasation from microvascular. The information of this process clarifies the mechanisms of drug delivery from the injection site to absorption by a solid tumor. In this study, an advanced numerical method is used to solve fluid flow and solute transport equations simultaneously to show how capillary network structure induced by tumor affects drug delivery. The effect of heterogeneous capillary network induced by tumor on interstitial fluid flow and drug delivery is investigated by this multi scale method. The sprouting angiogenesis model is used for generating capillary network induced by tumor. Fluid flow governing equations are implemented to calculate blood flow through the tumor-induced capillary network and fluid flow in normal and tumor tissues. The Starling’s law is used for closing this system of equations and coupling the intravascular and extravascular flows. Finally, convection-diffusion-reaction equation is used to simulate drug delivery. The dynamic approach which changes the capillary network structure based on signals sent by hemodynamic and metabolic stimuli is used in this study for more realistic assumption. The study indicates that drug delivery to solid tumors depends on the tumor induced capillary network structure. The dynamic approach generates the irregular capillary network around the tumor and predicts a higher interstitial pressure in the tumor region. This elevated interstitial pressure with irregular capillary network leads to a heterogeneous distribution of drug in the tumor region similar to in vivo observations. The investigation indicates that the drug transport properties have a significant role against the physiological barrier of drug delivery to a solid tumor.Keywords: solid tumor, physiological barriers to drug delivery, angiogenesis, microvascular network, solute transport
Procedia PDF Downloads 312133 Determination of the Cooling Rate Dependency of High Entropy Alloys Using a High-Temperature Drop-on-Demand Droplet Generator
Authors: Saeedeh Imani Moqadam, Ilya Bobrov, Jérémy Epp, Nils Ellendt, Lutz Mädler
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High entropy alloys (HEAs), having adjustable properties and enhanced stability compared with intermetallic compounds, are solid solution alloys that contain more than five principal elements with almost equal atomic percentage. The concept of producing such alloys pave the way for developing advanced materials with unique properties. However, the synthesis of such alloys may require advanced processes with high cooling rates depending on which alloy elements are used. In this study, the micro spheres of different diameters of HEAs were generated via a drop-on-demand droplet generator and subsequently solidified during free-fall in an argon atmosphere. Such droplet generators can generate individual droplets with high reproducibility regarding droplet diameter, trajectory and cooling while avoiding any interparticle momentum or thermal coupling. Metallography as well as X-ray diffraction investigations for each diameter of the generated metallic droplets where then carried out to obtain information about the microstructural state. To calculate the cooling rate of the droplets, a droplet cooling model was developed and validated using model alloys such as CuSn%6 and AlCu%4.5 for which a correlation of secondary dendrite arm spacing (SDAS) and cooling rate is well-known. Droplets were generated from these alloys and their SDAS was determined using quantitative metallography. The cooling rate was then determined from the SDAS and used to validate the cooling rates obtained from the droplet cooling model. The application of that model on the HEA then leads to the cooling rate dependency and hence to the identification of process windows for the synthesis of these alloys. These process windows were then compared with cooling rates obtained in processes such as powder production, spray forming, selective laser melting and casting to predict if a synthesis is possible with these processes.Keywords: cooling rate, drop-on-demand, high entropy alloys, microstructure, single droplet generation, X-ray Diffractometry
Procedia PDF Downloads 211132 Dynamic Modeling of Advanced Wastewater Treatment Plants Using BioWin
Authors: Komal Rathore, Aydin Sunol, Gita Iranipour, Luke Mulford
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Advanced wastewater treatment plants have complex biological kinetics, time variant influent flow rates and long processing times. Due to these factors, the modeling and operational control of advanced wastewater treatment plants become complicated. However, development of a robust model for advanced wastewater treatment plants has become necessary in order to increase the efficiency of the plants, reduce energy costs and meet the discharge limits set by the government. A dynamic model was designed using the Envirosim (Canada) platform software called BioWin for several wastewater treatment plants in Hillsborough County, Florida. Proper control strategies for various parameters such as mixed liquor suspended solids, recycle activated sludge and waste activated sludge were developed for models to match the plant performance. The models were tuned using both the influent and effluent data from the plant and their laboratories. The plant SCADA was used to predict the influent wastewater rates and concentration profiles as a function of time. The kinetic parameters were tuned based on sensitivity analysis and trial and error methods. The dynamic models were validated by using experimental data for influent and effluent parameters. The dissolved oxygen measurements were taken to validate the model by coupling them with Computational Fluid Dynamics (CFD) models. The Biowin models were able to exactly mimic the plant performance and predict effluent behavior for extended periods. The models are useful for plant engineers and operators as they can take decisions beforehand by predicting the plant performance with the use of BioWin models. One of the important findings from the model was the effects of recycle and wastage ratios on the mixed liquor suspended solids. The model was also useful in determining the significant kinetic parameters for biological wastewater treatment systems.Keywords: BioWin, kinetic modeling, flowsheet simulation, dynamic modeling
Procedia PDF Downloads 154131 Predicting Radioactive Waste Glass Viscosity, Density and Dissolution with Machine Learning
Authors: Joseph Lillington, Tom Gout, Mike Harrison, Ian Farnan
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The vitrification of high-level nuclear waste within borosilicate glass and its incorporation within a multi-barrier repository deep underground is widely accepted as the preferred disposal method. However, for this to happen, any safety case will require validation that the initially localized radionuclides will not be considerably released into the near/far-field. Therefore, accurate mechanistic models are necessary to predict glass dissolution, and these should be robust to a variety of incorporated waste species and leaching test conditions, particularly given substantial variations across international waste-streams. Here, machine learning is used to predict glass material properties (viscosity, density) and glass leaching model parameters from large-scale industrial data. A variety of different machine learning algorithms have been compared to assess performance. Density was predicted solely from composition, whereas viscosity additionally considered temperature. To predict suitable glass leaching model parameters, a large simulated dataset was created by coupling MATLAB and the chemical reactive-transport code HYTEC, considering the state-of-the-art GRAAL model (glass reactivity in allowance of the alteration layer). The trained models were then subsequently applied to the large-scale industrial, experimental data to identify potentially appropriate model parameters. Results indicate that ensemble methods can accurately predict viscosity as a function of temperature and composition across all three industrial datasets. Glass density prediction shows reliable learning performance with predictions primarily being within the experimental uncertainty of the test data. Furthermore, machine learning can predict glass dissolution model parameters behavior, demonstrating potential value in GRAAL model development and in assessing suitable model parameters for large-scale industrial glass dissolution data.Keywords: machine learning, predictive modelling, pattern recognition, radioactive waste glass
Procedia PDF Downloads 115130 Computational Insight into a Mechanistic Overview of Water Exchange Kinetics and Thermodynamic Stabilities of Bis and Tris-Aquated Complexes of Lanthanides
Authors: Niharika Keot, Manabendra Sarma
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A thorough investigation of Ln3+ complexes with more than one inner-sphere water molecule is crucial for designing high relaxivity contrast agents (CAs) used in magnetic resonance imaging (MRI). This study accomplished a comparative stability analysis of two hexadentate (H3cbda and H3dpaa) and two heptadentate (H4peada and H3tpaa) ligands with Ln3+ ions. The higher stability of the hexadentate H3cbda and heptadentate H4peada ligands has been confirmed by the binding affinity and Gibbs free energy analysis in aqueous solution. In addition, energy decomposition analysis (EDA) reveals the higher binding affinity of the peada4− ligand than the cbda3− ligand towards Ln3+ ions due to the higher charge density of the peada4− ligand. Moreover, a mechanistic overview of water exchange kinetics has been carried out based on the strength of the metal–water bond. The strength of the metal–water bond follows the trend Gd–O47 (w) > Gd–O39 (w) > Gd–O36 (w) in the case of the tris-aquated [Gd(cbda)(H2O)3] and Gd–O43 (w) > Gd–O40 (w) for the bis-aquated [Gd(peada)(H2O)2]− complex, which was confirmed by bond length, electron density (ρ), and electron localization function (ELF) at the corresponding bond critical points. Our analysis also predicts that the activation energy barrier decreases with the decrease in bond strength; hence kex increases. The 17O and 1H hyperfine coupling constant values of all the coordinated water molecules were different, calculated by using the second-order Douglas–Kroll–Hess (DKH2) approach. Furthermore, the ionic nature of the bonding in the metal–ligand (M–L) bond was confirmed by the Quantum Theory of Atoms-In-Molecules (QTAIM) and ELF along with energy decomposition analysis (EDA). We hope that the results can be used as a basis for the design of highly efficient Gd(III)-based high relaxivity MRI contrast agents for medical applications.Keywords: MRI contrast agents, lanthanide chemistry, thermodynamic stability, water exchange kinetics
Procedia PDF Downloads 83129 Boundary Layer Control Using a Magnetic Field: A Case Study in the Framework of Ferrohydrodynamics
Authors: C. F. Alegretti, F. R. Cunha, R. G. Gontijo
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This work investigates the effects of an applied magnetic field on the geometry-driven boundary layer detachment flow of a ferrofluid over a sudden expansion. Both constitutive equation and global magnetization equation for a ferrofluid are considered. Therefore, the proposed formulation consists in a coupled magnetic-hydrodynamic problem. Computational simulations are carried out in order to explore, not only the viability to control flow instabilities, but also to evaluate the consistency of theoretical aspects. The unidirectional sudden expansion in a ferrofluid flow is investigated numerically under the perspective of Ferrohydrodynamics in a two-dimensional domain using a Finite Differences Method. The boundary layer detachment induced by the sudden expansion results in a recirculating zone, which has been extensively studied in non-magnetic hydrodynamic problems for a wide range of Reynolds numbers. Similar investigations can be found in literature regarding the sudden expansion under the magnetohydrodynamics framework, but none considering a colloidal suspension of magnetic particles out of the superparamagnetic regime. The vorticity-stream function formulation is implemented and results in a clear coupling between the flow vorticity and its magnetization field. Our simulations indicate a systematic decay on the length of the recirculation zone as increasing physical parameters of the flow, such as the intensity of the applied field and the volume fraction of particles. The results all are discussed from a physical point of view in terms of the dynamical non-dimensional parameters. We argue that the decrease/reduction in the recirculation region of the flow is a direct consequence of the magnetic torque balancing the action of the torque produced by viscous and inertial forces of the flow. For the limit of small Reynolds and magnetic Reynolds parameters, the diffusion of vorticity balances the diffusion of the magnetic torque on the flow. These mechanics control the growth of the recirculation region.Keywords: boundary layer detachment, ferrofluid, ferrohydrodynamics, magnetization, sudden expansion
Procedia PDF Downloads 203128 Coupling Static Multiple Light Scattering Technique With the Hansen Approach to Optimize Dispersibility and Stability of Particle Dispersions
Authors: Guillaume Lemahieu, Matthias Sentis, Giovanni Brambilla, Gérard Meunier
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Static Multiple Light Scattering (SMLS) has been shown to be a straightforward technique for the characterization of colloidal dispersions without dilution, as multiply scattered light in backscattered and transmitted mode is directly related to the concentration and size of scatterers present in the sample. In this view, the use of SMLS for stability measurement of various dispersion types has already been widely described in the literature. Indeed, starting from a homogeneous dispersion, the variation of backscattered or transmitted light can be attributed to destabilization phenomena, such as migration (sedimentation, creaming) or particle size variation (flocculation, aggregation). In a view to investigating more on the dispersibility of colloidal suspensions, an experimental set-up for “at the line” SMLS experiment has been developed to understand the impact of the formulation parameters on particle size and dispersibility. The SMLS experiment is performed with a high acquisition rate (up to 10 measurements per second), without dilution, and under direct agitation. Using such experimental device, SMLS detection can be combined with the Hansen approach to optimize the dispersing and stabilizing properties of TiO₂ particles. It appears that the dispersibility and the stability spheres generated are clearly separated, arguing that lower stability is not necessarily a consequence of poor dispersibility. Beyond this clarification, this combined SMLS-Hansen approach is a major step toward the optimization of dispersibility and stability of colloidal formulations by finding solvents having the best compromise between dispersing and stabilizing properties. Such study can be intended to find better dispersion media, greener and cheaper solvents to optimize particles suspensions, reduce the content of costly stabilizing additives or satisfy product regulatory requirements evolution in various industrial fields using suspensions (paints & inks, coatings, cosmetics, energy).Keywords: dispersibility, stability, Hansen parameters, particles, solvents
Procedia PDF Downloads 109127 A Low-Cost of Foot Plantar Shoes for Gait Analysis
Authors: Zulkifli Ahmad, Mohd Razlan Azizan, Nasrul Hadi Johari
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This paper presents a study on development and conducting of a wearable sensor system for gait analysis measurement. For validation, the method of plantar surface measurement by force plate was prepared. In general gait analysis, force plate generally represents a studies about barefoot in whole steps and do not allow analysis of repeating movement step in normal walking and running. The measurements that were usually perform do not represent the whole daily plantar pressures in the shoe insole and only obtain the ground reaction force. The force plate measurement is usually limited a few step and it is done indoor and obtaining coupling information from both feet during walking is not easily obtained. Nowadays, in order to measure pressure for a large number of steps and obtain pressure in each insole part, it could be done by placing sensors within an insole. With this method, it will provide a method for determine the plantar pressures while standing, walking or running of a shoe wearing subject. Inserting pressure sensors in the insole will provide specific information and therefore the point of the sensor placement will result in obtaining the critical part under the insole. In the wearable shoe sensor project, the device consists left and right shoe insole with ten FSR. Arduino Mega was used as a micro-controller that read the analog input from FSR. The analog inputs were transmitted via bluetooth data transmission that gains the force data in real time on smartphone. Blueterm software which is an android application was used as an interface to read the FSR reading on the shoe wearing subject. The subject consist of two healthy men with different age and weight doing test while standing, walking (1.5 m/s), jogging (5 m/s) and running (9 m/s) on treadmill. The data obtain will be saved on the android device and for making an analysis and comparison graph.Keywords: gait analysis, plantar pressure, force plate, earable sensor
Procedia PDF Downloads 453126 Modification of Hexagonal Boron Nitride Induced by Focused Laser Beam
Authors: I. Wlasny, Z. Klusek, A. Wysmolek
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Hexagonal boron nitride is a representative of a widely popular class of two-dimensional Van Der Waals materials. It finds its uses, among others, in construction of complexly layered heterostructures. Hexagonal boron nitride attracts great interest because of its properties characteristic for wide-gap semiconductors as well as an ultra-flat surface.Van Der Waals heterostructures composed of two-dimensional layered materials, such as transition metal dichalcogenides or graphene give hope for miniaturization of various electronic and optoelectronic elements. In our presentation, we will show the results of our investigations of the not previously reported modification of the hexagonal boron nitride layers with focused laser beam. The electrostatic force microscopy (EFM) images reveal that the irradiation leads to changes of the local electric fields for a wide range of laser wavelengths (from 442 to 785 nm). These changes are also accompanied by alterations of crystallographic structure of the material, as reflected by Raman spectra. They exhibit high stability and remain visible after at least five months. This behavior can be explained in terms of photoionization of the defect centers in h-BN which influence non-uniform electrostatic field screening by the photo-excited charge carriers. Analyzed changes influence local defect structure, and thus the interatomic distances within the lattice. These effects can be amplified by the piezoelectric character of hexagonal boron nitride, similar to that found in nitrides (e.g., GaN, AlN). Our results shed new light on the optical properties of the hexagonal boron nitride, in particular, those associated with electron-phonon coupling. Our study also opens new possibilities for h-BN applications in layered heterostructures where electrostatic fields can be used in tailoring of the local properties of the structures for use in micro- and nanoelectronics or field-controlled memory storage. This work is supported by National Science Centre project granted on the basis of the decision number DEC-2015/16/S/ST3/00451.Keywords: atomic force microscopy, hexagonal boron nitride, optical properties, raman spectroscopy
Procedia PDF Downloads 173125 Investigation of Oscillation Mechanism of a Large-scale Solar Photovoltaic and Wind Hybrid Power Plant
Authors: Ting Kai Chia, Ruifeng Yan, Feifei Bai, Tapan Saha
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This research presents a real-world power system oscillation incident in 2022 originated by a hybrid solar photovoltaic (PV) and wind renewable energy farm with a rated capacity of approximately 300MW in Australia. The voltage and reactive power outputs recorded at the point of common coupling (PCC) oscillated at a sub-synchronous frequency region, which sustained for approximately five hours in the network. The reactive power oscillation gradually increased over time and reached a recorded maximum of approximately 250MVar peak-to-peak (from inductive to capacitive). The network service provider was not able to quickly identify the location of the oscillation source because the issue was widespread across the network. After the incident, the original equipment manufacturer (OEM) concluded that the oscillation problem was caused by the incorrect setting recovery of the hybrid power plant controller (HPPC) in the voltage and reactive power control loop after a loss of communication event. The voltage controller normally outputs a reactive (Q) reference value to the Q controller which controls the Q dispatch setpoint of PV and wind plants in the hybrid farm. Meanwhile, a feed-forward (FF) configuration is used to bypass the Q controller in case there is a loss of communication. Further study found that the FF control mode was still engaged when communication was re-established, which ultimately resulted in the oscillation event. However, there was no detailed explanation of why the FF control mode can cause instability in the hybrid farm. Also, there was no duplication of the event in the simulation to analyze the root cause of the oscillation. Therefore, this research aims to model and replicate the oscillation event in a simulation environment and investigate the underlying behavior of the HPPC and the consequent oscillation mechanism during the incident. The outcome of this research will provide significant benefits to the safe operation of large-scale renewable energy generators and power networks.Keywords: PV, oscillation, modelling, wind
Procedia PDF Downloads 37124 Modeling of Conjugate Heat Transfer including Radiation in a Kerosene/Air Certification Burner
Authors: Lancelot Boulet, Pierre Benard, Ghislain Lartigue, Vincent Moureau, Nicolas Chauvet, Sheddia Didorally
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International aeronautic standards demand a fire certification for engines that demonstrate their resistance. This demonstration relies on tests performed with prototype engines in the late stages of the development. Hardest tests require to place a kerosene standardized flame in front of the engine casing during a given time with imposed temperature and heat flux. The purpose of this work is to provide a better characterization of a kerosene/air certification burner in order to minimize the risks of test failure. A first Large-Eddy Simulation (LES) study of the certification burner permitted to model and simulate this burner, including both adiabatic and Conjugate Heat Transfer (CHT) computations. Carried out on unstructured grids with 40 million tetrahedral cells, using the finite-volume YALES2 code, spray combustion, forced convection on walls and conduction in the solid parts of the burner were coupled to achieve a detailed description of heat transfer. It highlighted the fact that conduction inside the solid has a real impact on the flame topology and the combustion regime. However, in the absence of radiative heat transfer, unrealistic temperature of the equipment was obtained. The aim of the present study is to include the radiative heat transfer in order to reach the same temperature given by experimental measurements. First, various test-cases are conducted to validate the coupling between the different heat solvers. Then, adiabatic case, CHT case, as well as CHT including radiative transfer are studied and compared. The LES model is finally applied to investigate the heat transfer in a flame impaction configuration. The aim is to progress on fire test modeling so as to reach a good confidence level as far as success of the certification test is concerned.Keywords: conjugate heat transfer, fire resistance test, large-eddy simulation, radiative transfer, turbulent combustion
Procedia PDF Downloads 223123 Jute Based Biocomposites: The Future of Automobiles
Authors: D. P. Ray, L. Ammayappan, S. Debnath, R. K. Ghosh, D. Mondal, S. Dasgupta, S. Islam, S. Chakroborty, P. K. Ganguly, D. Nag
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Nature being bountiful is generous enough to provide rich resources to mankind. These resources can be used as an alternative to synthetics, thereby reducing the chances of environmental pollution. Natural fibre based composites have emerged as a successful trend in recent automobile industry. Natural fibre based composites used in automobile industries not only reduces their fuel consumption but also do not pose any health hazards. In spite of the use of natural fibre based bio composite in automobile industries, its use is only being limited to interior products. However, its major drawbacks which contributed to limited scope in the field of industry are reduced durability and mechanical strength. Thereby, the use of natural fibre based bio composites as headliner in case of automobile industries is also not successfully deployed. Out of all the natural fibres available, jute can widely be used as automobile parts because of its easy availability, comparatively higher specific strength, lower density, low thermal conductivity and most importantly its non polluting and non abrasive nature. Various research outcomes in the field of jute based biocomposites for the use of automobile industries has not successfully being deployed due to certain inherent problem of the fibre. Jute being hydrophilic in nature is not readily adhered to the hydrophobic polyester resin. Therefore introduction of a chemical compatibilizer, in the preparation of jute based composites have been tested to enhance the mechanical and durable properties of the material to a greater extent. This present work therefore focuses on the synthesis of a suitable compatibilizer, acting as a chemical bridge between the polar jute fabric and the non polar resin matrix. This in turn results in imparting better interfacial bonding between the two, thereby inducing higher mechanical strength. These coupling treated fabrics are casted into composites and tested for their mechanical properties. The test reports show a remarkable change in all of its properties. The durability test was performed by soil burial test method.Keywords: jute, automobile industry, biodegradability, chemical compatibilizer
Procedia PDF Downloads 457122 Optimization of Shale Gas Production by Advanced Hydraulic Fracturing
Authors: Fazl Ullah, Rahmat Ullah
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This paper shows a comprehensive learning focused on the optimization of gas production in shale gas reservoirs through hydraulic fracturing. Shale gas has emerged as an important unconventional vigor resource, necessitating innovative techniques to enhance its extraction. The key objective of this study is to examine the influence of fracture parameters on reservoir productivity and formulate strategies for production optimization. A sophisticated model integrating gas flow dynamics and real stress considerations is developed for hydraulic fracturing in multi-stage shale gas reservoirs. This model encompasses distinct zones: a single-porosity medium region, a dual-porosity average region, and a hydraulic fracture region. The apparent permeability of the matrix and fracture system is modeled using principles like effective stress mechanics, porous elastic medium theory, fractal dimension evolution, and fluid transport apparatuses. The developed model is then validated using field data from the Barnett and Marcellus formations, enhancing its reliability and accuracy. By solving the partial differential equation by means of COMSOL software, the research yields valuable insights into optimal fracture parameters. The findings reveal the influence of fracture length, diversion capacity, and width on gas production. For reservoirs with higher permeability, extending hydraulic fracture lengths proves beneficial, while complex fracture geometries offer potential for low-permeability reservoirs. Overall, this study contributes to a deeper understanding of hydraulic cracking dynamics in shale gas reservoirs and provides essential guidance for optimizing gas production. The research findings are instrumental for energy industry professionals, researchers, and policymakers alike, shaping the future of sustainable energy extraction from unconventional resources.Keywords: fluid-solid coupling, apparent permeability, shale gas reservoir, fracture property, numerical simulation
Procedia PDF Downloads 71121 Monetary Evaluation of Dispatching Decisions in Consideration of Choice of Transport
Authors: Marcel Schneider, Nils Nießen
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Microscopic simulation programs enable the description of the two processes of railway operation and the previous timetabling. Occupation conflicts are often solved based on defined train priorities on both process levels. These conflict resolutions produce knock-on delays for the involved trains. The sum of knock-on delays is commonly used to evaluate the quality of railway operations. It is either compared to an acceptable level-of-service or the delays are evaluated economically by linearly monetary functions. It is impossible to properly evaluate dispatching decisions without a well-founded objective function. This paper presents a new approach for evaluation of dispatching decisions. It uses models of choice of transport and considers the behaviour of the end-costumers. These models evaluate the knock-on delays in more detail than linearly monetary functions and consider other competing modes of transport. The new approach pursues the coupling of a microscopic model of railway operation with the macroscopic model of choice of transport. First it will be implemented for the railway operations process, but it can also be used for timetabling. The evaluation considers the possibility to change over to other transport modes by the end-costumers. The new approach first looks at the rail-mounted and road transport, but it can also be extended to air transport. The split of the end-costumers is described by the modal-split. The reactions by the end-costumers have an effect on the revenues of the railway undertakings. Various travel purposes has different pavement reserves and tolerances towards delays. Longer journey times affect besides revenue changes also additional costs. The costs depend either on time or track and arise from circulation of workers and vehicles. Only the variable values are summarised in the contribution margin, which is the base for the monetary evaluation of the delays. The contribution margin is calculated for different resolution decisions of the same conflict. The conflict resolution is improved until the monetary loss becomes minimised. The iterative process therefore determines an optimum conflict resolution by observing the change of the contribution margin. Furthermore, a monetary value of each dispatching decision can also be determined.Keywords: choice of transport, knock-on delays, monetary evaluation, railway operations
Procedia PDF Downloads 328120 Technico-Economical Study of a Rapeseed Based Biorefinery Using High Voltage Electrical Discharges and Ultrasounds as Pretreatment Technologies
Authors: Marwa Brahim, Nicolas Brosse, Nadia Boussetta, Nabil Grimi, Eugene Vorobiev
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Rapeseed plant is an established product in France which is mainly dedicated to oil production. However, the economic potential of residues from this industry (rapeseed hulls, rapeseed cake, rapeseed straw etc.), has not been fully exploited. Currently, only low-grade applications are found in the market. As a consequence, it was deemed of interest to develop a technological platform aiming to convert rapeseed residues into value- added products. Specifically, a focus is given on the conversion of rapeseed straw into valuable molecules (e.g. lignin, glucose). Existing pretreatment technologies have many drawbacks mainly the production of sugar degradation products that limit the effectiveness of saccharification and fermentation steps in the overall scheme of the lignocellulosic biorefinery. In addition, the viability of fractionation strategies is a challenge in an environmental context increasingly standardized. Hence, the need to find cleaner alternatives with comparable efficiency by implementing physical phenomena that could destabilize the structural integrity of biomass without necessarily using chemical solvents. To meet environmental standards increasingly stringent, the present work aims to study the new pretreatment strategies involving lower consumption of chemicals with an attenuation of the severity of the treatment. These strategies consist on coupling physical treatments either high voltage electrical discharges or ultrasounds to conventional chemical pretreatments (soda and organosolv). Ultrasounds treatment is based on the cavitation phenomenon, and high voltage electrical discharges cause an electrical breakdown accompanied by many secondary phenomena. The choice of process was based on a technological feasibility study taking into account the economic profitability of the whole chain after products valorization. Priority was given to sugars valorization into bioethanol and lignin sale.Keywords: high voltage electrical discharges, organosolv, pretreatment strategies, rapeseed straw, soda, ultrasounds
Procedia PDF Downloads 362119 Numerical Analysis of the Response of Thin Flexible Membranes to Free Surface Water Flow
Authors: Mahtab Makaremi Masouleh, Günter Wozniak
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This work is part of a major research project concerning the design of a light temporary installable textile flood control structure. The motivation for this work is the great need of applying light structures for the protection of coastal areas from detrimental effects of rapid water runoff. The prime objective of the study is the numerical analysis of the interaction among free surface water flow and slender shaped pliable structures, playing a key role in safety performance of the intended system. First, the behavior of down scale membrane is examined under hydrostatic pressure by the Abaqus explicit solver, which is part of the finite element based commercially available SIMULIA software. Then the procedure to achieve a stable and convergent solution for strongly coupled media including fluids and structures is explained. A partitioned strategy is imposed to make both structures and fluids be discretized and solved with appropriate formulations and solvers. In this regard, finite element method is again selected to analyze the structural domain. Moreover, computational fluid dynamics algorithms are introduced for solutions in flow domains by means of a commercial package of Star CCM+. Likewise, SIMULIA co-simulation engine and an implicit coupling algorithm, which are available communication tools in commercial package of the Star CCM+, enable powerful transmission of data between two applied codes. This approach is discussed for two different cases and compared with available experimental records. In one case, the down scale membrane interacts with open channel flow, where the flow velocity increases with time. The second case illustrates, how the full scale flexible flood barrier behaves when a massive flotsam is accelerated towards it.Keywords: finite element formulation, finite volume algorithm, fluid-structure interaction, light pliable structure, VOF multiphase model
Procedia PDF Downloads 186118 Study on Accurate Calculation Method of Model Attidude on Wind Tunnel Test
Authors: Jinjun Jiang, Lianzhong Chen, Rui Xu
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The accurate of model attitude angel plays an important role on the aerodynamic test results in the wind tunnel test. The original method applies the spherical coordinate system transformation to obtain attitude angel calculation.The model attitude angel is obtained by coordinate transformation and spherical surface mapping applying the nominal attitude angel (the balance attitude angel in the wind tunnel coordinate system) indicated by the mechanism. First, the coordinate transformation of this method is not only complex but also difficult to establish the transformed relationship between the space coordinate systems especially after many steps of coordinate transformation, moreover it cannot realize the iterative calculation of the interference relationship between attitude angels; Second, during the calculate process to solve the problem the arc is approximately used to replace the straight line, the angel for the tangent value, and the inverse trigonometric function is applied. Therefore, in the calculation of attitude angel, the process is complex and inaccurate, which can be solved approximately when calculating small attack angel. However, with the advancing development of modern aerodynamic unsteady research, the aircraft tends to develop high or super large attack angel and unsteadyresearch field.According to engineering practice and vector theory, the concept of vector angel coordinate systemis proposed for the first time, and the vector angel coordinate system of attitude angel is established.With the iterative correction calculation and avoiding the problem of approximate and inverse trigonometric function solution, the model attitude calculation process is carried out in detail, which validates that the calculation accuracy and accuracy of model attitude angels are improved.Based on engineering and theoretical methods, a vector angel coordinate systemis established for the first time, which gives the transformation and angel definition relations between different flight attitude coordinate systems, that can accurately calculate the attitude angel of the corresponding coordinate systemand determine its direction, especially in the channel coupling calculation, the calculation of the attitude angel between the coordinate systems is only related to the angel, and has nothing to do with the change order s of the coordinate system, whichsimplifies the calculation process.Keywords: attitude angel, angel vector coordinate system, iterative calculation, spherical coordinate system, wind tunnel test
Procedia PDF Downloads 146117 A Next Generation Multi-Scale Modeling Theatre for in silico Oncology
Authors: Safee Chaudhary, Mahnoor Naseer Gondal, Hira Anees Awan, Abdul Rehman, Ammar Arif, Risham Hussain, Huma Khawar, Zainab Arshad, Muhammad Faizyab Ali Chaudhary, Waleed Ahmed, Muhammad Umer Sultan, Bibi Amina, Salaar Khan, Muhammad Moaz Ahmad, Osama Shiraz Shah, Hadia Hameed, Muhammad Farooq Ahmad Butt, Muhammad Ahmad, Sameer Ahmed, Fayyaz Ahmed, Omer Ishaq, Waqar Nabi, Wim Vanderbauwhede, Bilal Wajid, Huma Shehwana, Muhammad Tariq, Amir Faisal
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Cancer is a manifestation of multifactorial deregulations in biomolecular pathways. These deregulations arise from the complex multi-scale interplay between cellular and extracellular factors. Such multifactorial aberrations at gene, protein, and extracellular scales need to be investigated systematically towards decoding the underlying mechanisms and orchestrating therapeutic interventions for patient treatment. In this work, we propose ‘TISON’, a next-generation web-based multiscale modeling platform for clinical systems oncology. TISON’s unique modeling abstraction allows a seamless coupling of information from biomolecular networks, cell decision circuits, extra-cellular environments, and tissue geometries. The platform can undertake multiscale sensitivity analysis towards in silico biomarker identification and drug evaluation on cellular phenotypes in user-defined tissue geometries. Furthermore, integration of cancer expression databases such as The Cancer Genome Atlas (TCGA) and Human Proteome Atlas (HPA) facilitates in the development of personalized therapeutics. TISON is the next-evolution of multiscale cancer modeling and simulation platforms and provides a ‘zero-code’ model development, simulation, and analysis environment for application in clinical settings.Keywords: systems oncology, cancer systems biology, cancer therapeutics, personalized therapeutics, cancer modelling
Procedia PDF Downloads 222116 Investigation of Different Surface Oxidation Methods on Pyrolytic Carbon
Authors: Lucija Pustahija, Christine Bandl, Wolfgang Kern, Christian Mitterer
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Concerning today´s ecological demands, producing reliable materials from sustainable resources is a continuously developing topic. Such an example is the production of carbon materials via pyrolysis of natural gases or biomass. The amazing properties of pyrolytic carbon are utilized in various fields, where in particular the application in building industry is a promising way towards the utilization of pyrolytic carbon and composites based on pyrolytic carbon. For many applications, surface modification of carbon is an important step in tailoring its properties. Therefore, in this paper, an investigation of different oxidation methods was performed to prepare the carbon surface before functionalizing it with organosilanes, which act as coupling agents for epoxy and polyurethane resins. Made in such a way, a building material based on carbon composites could be used as a lightweight, durable material that can be applied where water or air filtration / purification is needed. In this work, both wet and dry oxidation were investigated. Wet oxidation was first performed in solutions of nitric acid (at 120 °C and 150 °C) followed by oxidation in hydrogen peroxide (80 °C) for 3 and 6 h. Moreover, a hydrothermal method (under oxygen gas) in autoclaves was investigated. Dry oxidation was performed under plasma and corona discharges, using different power values to elaborate optimum conditions. Selected samples were then (in preliminary experiments) subjected to a silanization of the surface with amino and glycidoxy organosilanes. The functionalized surfaces were examined by X-ray photon spectroscopy and Fourier transform infrared spectroscopy spectroscopy, and by scanning electron microscopy. The results of wet and dry oxidation methods indicated that the creation of functionalities was influenced by temperature, the concentration of the reagents (and gases) and the duration of the treatment. Sequential oxidation in aq. HNO₃ and H₂O₂ results in a higher content of oxygen functionalities at lower concentrations of oxidizing agents, when compared to oxidizing the carbon with concentrated nitric acid. Plasma oxidation results in non-permanent functionalization on the carbon surface, by which it´s necessary to find adequate parameters of oxidation treatments that could enable longer stability of functionalities. Results of the functionalization of the carbon surfaces with organosilanes will be presented as well.Keywords: building materials, dry oxidation, organosilanes, pyrolytic carbon, resins, surface functionalization, wet oxidation
Procedia PDF Downloads 100115 Study of Morning-Glory Spillway Structure in Hydraulic Characteristics by CFD Model
Authors: Mostafa Zandi, Ramin Mansouri
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Spillways are one of the most important hydraulic structures of dams that provide the stability of the dam and downstream areas at the time of flood. Morning-Glory spillway is one of the common spillways for discharging the overflow water behind dams, these kinds of spillways are constructed in dams with small reservoirs. In this research, the hydraulic flow characteristics of a morning-glory spillways are investigated with CFD model. Two dimensional unsteady RANS equations were solved numerically using Finite Volume Method. The PISO scheme was applied for the velocity-pressure coupling. The mostly used two-equation turbulence models, k- and k-, were chosen to model Reynolds shear stress term. The power law scheme was used for discretization of momentum, k , and equations. The VOF method (geometrically reconstruction algorithm) was adopted for interface simulation. The results show that the fine computational grid, the input speed condition for the flow input boundary, and the output pressure for the boundaries that are in contact with the air provide the best possible results. Also, the standard wall function is chosen for the effect of the wall function, and the turbulent model k -ε (Standard) has the most consistent results with experimental results. When the jet is getting closer to end of basin, the computational results increase with the numerical results of their differences. The lower profile of the water jet has less sensitivity to the hydraulic jet profile than the hydraulic jet profile. In the pressure test, it was also found that the results show that the numerical values of the pressure in the lower landing number differ greatly in experimental results. The characteristics of the complex flows over a Morning-Glory spillway were studied numerically using a RANS solver. Grid study showed that numerical results of a 57512-node grid had the best agreement with the experimental values. The desired downstream channel length was preferred to be 1.5 meter, and the standard k-ε turbulence model produced the best results in Morning-Glory spillway. The numerical free-surface profiles followed the theoretical equations very well.Keywords: morning-glory spillway, CFD model, hydraulic characteristics, wall function
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