Search results for: latent agreement
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1886

Search results for: latent agreement

1286 Modeling Study of Short Fiber Orientation in Simple Injection Molding Processes

Authors: Ihsane Modhaffar, Kamal Gueraoui, Abouelkacem Qais, Abderrahmane Maaouni, Samir Men-La-Yakhaf, Hamid Eltourroug

Abstract:

The main objective of this paper is to develop a Computational Fluid Dynamics (CFD) model to simulate and characterize the fiber suspension in flow in rectangular cavities. The model is intended to describe the velocity profile and to predict the fiber orientation. The flow was considered to be incompressible, and behave as Newtonian fluid containing suspensions of short-fibers. The numerical model for determination of velocity profile and fiber orientation during mold-filling stage of injection molding process was solved using finite volume method. The governing equations of this problem are: the continuity, the momentum and the energy. The obtained results were compared to available experimental findings. A good agreement between the numerical results and the experimental data was achieved.

Keywords: injection, composites, short-fiber reinforced thermoplastics, fiber orientation, incompressible fluid, numerical simulation

Procedia PDF Downloads 450
1285 Time Series Modelling and Prediction of River Runoff: Case Study of Karkheh River, Iran

Authors: Karim Hamidi Machekposhti, Hossein Sedghi, Abdolrasoul Telvari, Hossein Babazadeh

Abstract:

Rainfall and runoff phenomenon is a chaotic and complex outcome of nature which requires sophisticated modelling and simulation methods for explanation and use. Time Series modelling allows runoff data analysis and can be used as forecasting tool. In the paper attempt is made to model river runoff data and predict the future behavioural pattern of river based on annual past observations of annual river runoff. The river runoff analysis and predict are done using ARIMA model. For evaluating the efficiency of prediction to hydrological events such as rainfall, runoff and etc., we use the statistical formulae applicable. The good agreement between predicted and observation river runoff coefficient of determination (R2) display that the ARIMA (4,1,1) is the suitable model for predicting Karkheh River runoff at Iran.

Keywords: time series modelling, ARIMA model, river runoff, Karkheh River, CLS method

Procedia PDF Downloads 323
1284 Experimental and Numerical Investigation of Fluid Flow inside Concentric Heat Exchanger Using Different Inlet Geometry Configurations

Authors: Mohamed M. Abo Elazm, Ali I. Shehata, Mohamed M. Khairat Dawood

Abstract:

A computational fluid dynamics (CFD) program FLUENT has been used to predict the fluid flow and heat transfer distribution within concentric heat exchangers. The effect of inlet inclination angle has been investigated with Reynolds number range (3000 – 4000) and Pr=0.71. The heat exchanger is fabricated from copper concentric inner tube with a length of 750 mm. The effects of hot to cold inlet flow rate ratio (MH/MC), Reynolds's number and of inlet inclination angle of 30°, 45°, 60° and 90° are considered. The results showed that the numerical prediction shows a good agreement with experimental measurement. The results present an efficient design of concentric tube heat exchanger to enhance the heat transfer by increasing the swirling effect.

Keywords: heat transfer, swirling effect, CFD, inclination angle, concentric tube heat exchange

Procedia PDF Downloads 303
1283 Simulation of Heat Exchanger Behavior during LOCA Accident in THTL Test Loop

Authors: R. Mahmoodi, A. R. Zolfaghari

Abstract:

In nuclear power plants, loss of coolant from the primary system is the type of reduced removed capacity that is given most attention; such an accident is referred as Loss of Coolant Accident (LOCA). In the current study, investigation of shell and tube THTL heat exchanger behavior during LOCA is implemented by ANSYS CFX simulation software in both steady state and transient mode of turbulent fluid flow according to experimental conditions. Numerical results obtained from ANSYS CFX simulation show good agreement with experimental data of THTL heat exchanger. The results illustrate that in large break LOCA as short term accident, heat exchanger could not fast response to temperature variables but in the long term, the temperature of shell side of heat exchanger will be increase.

Keywords: shell-and-tube heat exchanger, shell-side, CFD, flow and heat transfer, LOCA

Procedia PDF Downloads 427
1282 Investigation of Static Stability of Soil Slopes Using Numerical Modeling

Authors: Seyed Abolhasan Naeini, Elham Ghanbari Alamooti

Abstract:

Static stability of soil slopes using numerical simulation by a finite element code, ABAQUS, has been investigated, and safety factors of the slopes achieved in the case of static load of a 10-storey building. The embankments have the same soil condition but different loading distance from the slope heel. The numerical method for estimating safety factors is 'Strength Reduction Method' (SRM). Mohr-Coulomb criterion used in the numerical simulations. Two steps used for measuring the safety factors of the slopes: first is under gravity loading, and the second is under static loading of a building near the slope heel. These safety factors measured from SRM, are compared with the values from Limit Equilibrium Method, LEM. Results show that there is good agreement between SRM and LEM. Also, it is seen that by increasing the distance from slope heel, safety factors increases.

Keywords: limit equilibrium method, static stability, soil slopes, strength reduction method

Procedia PDF Downloads 143
1281 Compact Microstrip Ultra-Wideband Bandstop Filter With Quasi-Elliptic Function Response

Authors: Hussein Shaman, Faris Almansour

Abstract:

This paper proposes a modified optimum bandstop filter with ultra-wideband stopband. The filter consists of three shunt open-circuited stubs and two non-redundant unit elements. The proposed bandstop filter is designed with unequal electrical lengths of the open-circuited stubs at the mid-stopband. Therefore, the filter can exhibit a quasi-elliptic function response that improves the selectivity and enhances the rejection bandwidth. The filter is designed to exhibit a fractional bandwidth of about 114% at a mid-stopband frequency of 3.0 GHz. The filter is successfully realized in theory, simulated, fabricated and measured. An excellent agreement is obtained between calculated, simulated and measured. The fabricated filter has a compact size with a low insertion loss in the passbands, high selectivity and good attenuation level inside the desired stopband

Keywords: microstrip filter, bandstop filter, UWB filter, transmission line filter

Procedia PDF Downloads 134
1280 The Development of GPS Buoy for Ocean Surface Monitoring: Initial Results

Authors: Anuar Mohd Salleh, Mohd Effendi Daud

Abstract:

This study presents a kinematic positioning approach which is use the GPS buoy for precise ocean surface monitoring. A GPS buoy data from two experiments have been processed using a precise, medium-range differential kinematic technique. In each case the data were collected for more than 24 hours at nearby coastal site at a high rate (1 Hz), along with measurements from neighboring tidal stations, to verify the estimated sea surface heights. Kinematic coordinates of GPS buoy were estimated using the epoch-wise pre-elimination and the backward substitution algorithm. Test results show the centimeter level accuracy in sea surface height determination can be successfully achieved using proposed technique. The centimeter level agreement between two methods also suggests the possibility of using this inexpensive and more flexible GPS buoy equipment to enhance (or even replace) the current use of tidal gauge stations.

Keywords: global positioning system, kinematic GPS, sea surface height, GPS buoy, tide gauge

Procedia PDF Downloads 527
1279 Surfactant Improved Heavy Oil Recovery in Sandstone Reservoirs by Wettability Alteration

Authors: Rabia Hunky, Hayat Kalifa, Bai

Abstract:

The wettability of carbonate reservoirs has been widely recognized as an important parameter in oil recovery by flooding technology. Many surfactants have been studied for this application. However, the importance of wettability alteration in sandstone reservoirs by surfactant has been poorly studied. In this paper, our recent study of the relationship between rock surface wettability and cumulative oil recovery for sandstone cores is reported. In our research, it has been found there is a good agreement between the wettability and oil recovery. Nonionic surfactants, Tomadol® 25-12 and Tomadol® 45-13, are very effective in wettability alteration of sandstone core surface from highly oil-wet conditions to water-wet conditions. By spontaneous imbibition test, Interfacial tension, and contact angle measurement these two surfactants exhibit the highest recovery of the synthetic oil made with heavy oil. Based on these experimental results, we can further conclude that the contact angle measurement and imbibition test can be used as rapid screening tools to identify better EOR surfactants to increase heavy oil recovery from sandstone reservoirs.

Keywords: EOR, oil gas, IOR, WC, IF, oil and gas

Procedia PDF Downloads 82
1278 All for One, or One for All: A Comparative Evaluation of the Role of Social Relations in Explaining Individual versus Group Participation in the Radicalization and Terrorism Process amongst Far-Right Actors in the United States

Authors: Jack Wippell

Abstract:

This paper explores the role of social relations in explaining far-right actors' decisions over whether to travel down the process of radicalization and terrorism alone or in a group. To this end, a joint comparative method of difference and agreement is applied to four case studies across key temporal points on the radicalization and terrorism pathway to generate a theory of why individuals decide to radicalize and/or act alone or within a group. While social relations are identified as playing some moderate role in explaining why certain individuals radicalize alone versus within a group, this paper argues they play a significant role in affecting decisions over whether to act alone versus in a group. These findings suggest new avenues of distinction and understanding of far-right actors' processes of radicalization and terrorism, in turn, offering potential new avenues for counter-terrorism policy and important areas for future research.

Keywords: far-right, lone-actor, terrorism, United States, radicalization

Procedia PDF Downloads 76
1277 Hydrodynamics of Wound Ballistics

Authors: Harpreet Kaur, Er. Arjun, Kirandeep Kaur, P. K. Mittal

Abstract:

Simulation of a human body from 20% gelatin & 80% water mixture is examined from wound ballistics point of view. Parameters such as incapacitation energy & temporary to permanent cavity size & tools of hydrodynamics have been employed to arrive at a model of human body similar to the one adopted by NATO. Calculations using equations of motion yield a value of 339 µs in which a temporary cavity with maximum size settles down to permanent cavity. This occurs for a 10mm size bullets & settle down to permanent cavity in case of 4 different bullets i.e. 5.45, 5.56, 7.62,10 mm sizes The obtained results are in excellent agreement with the body as right circular cylinder of 15 cm height & 10 cm diameter. An effort is made here in this work to present a sound theoretical base to parameters commonly used in wound ballistics from field experience discussed by Col Coats & Major Beyer. Keywords. Gelatin, gunshot, hydrodynamic model, oscillation time, temporary cavity and permanent cavity, Wound Ballistic.

Keywords: gelatin, gunshot, wound, cavity

Procedia PDF Downloads 85
1276 Factors Affecting Attitude of Community Pharmacists Towards Locally Manufactured Pharmaceutical Products in Addisababa: A Cross-sectional Study

Authors: Gelila Tamyalew, Asres Abitie

Abstract:

Community Pharmacists (CPs) have a significant part in consumer choice in the rational use of LMPPs. The opinion of pharmacists regarding branded and generic medications can offer a perception of the potential obstacles that might have to be overcome to advance generic medicine utilization. Many factors affect CPs' attitudes negatively toward LMPPs. Therefore, the current study assessed factors that can affect CPs' attitudes toward LMPPs. In the regression analysis of variables, three variables were associated with CPs' attitudes toward LMPPs. These are; maximum educational status, professional status, and year of experience in community pharmacy practice. Moreover, lack of belief in LMPPs, substitution agreement with the prescriber, cost-effectiveness of LMPPs, and consumer preference/demand were the most influencing reasons for the selection of LMPPs. In conclusion, the attitude of CPs seems suboptimal that requires an intervention to optimize LMPP utilization.

Keywords: locally manufactured pharmaceutical products, attitude, community pharmacist, Ethiopia

Procedia PDF Downloads 67
1275 Modelling of Moisture Loss and Oil Uptake during Deep-Fat Frying of Plantain

Authors: James A. Adeyanju, John O. Olajide, Akinbode A. Adedeji

Abstract:

A predictive mathematical model based on the fundamental principles of mass transfer was developed to simulate the moisture content and oil content during Deep-Fat Frying (DFF) process of dodo. The resulting governing equation, that is, partial differential equation that describes rate of moisture loss and oil uptake was solved numerically using explicit Finite Difference Technique (FDT). Computer codes were written in MATLAB environment for the implementation of FDT at different frying conditions and moisture loss as well as oil uptake simulation during DFF of dodo. Plantain samples were sliced into 5 mm thickness and fried at different frying oil temperatures (150, 160 and 170 ⁰C) for periods varying from 2 to 4 min. The comparison between the predicted results and experimental data for the validation of the model showed reasonable agreement. The correlation coefficients between the predicted and experimental values of moisture and oil transfer models ranging from 0.912 to 0.947 and 0.895 to 0.957, respectively. The predicted results could be further used for the design, control and optimization of deep-fat frying process.

Keywords: frying, moisture loss, modelling, oil uptake

Procedia PDF Downloads 426
1274 Measurement of IMRT Dose Distribution in Rando Head and Neck Phantom using EBT3 Film

Authors: Pegah Safavi, Mehdi Zehtabian, Mohammad Amin Mosleh-Shirazi

Abstract:

Cancer is one of the leading causes of death in the world. Radiation therapy is one of the main choices for cancer treatment. Intensity-modulated radiation therapy is a new type of radiation therapy technique available for vital structures such as the parathyroid glands. It is very important to check the accuracy of the delivered IMRT treatment because any mistake may lead to more complications for the patient. This paper describes an experiment to determine the accuracy of a dose measured by EBT3 film. To test this method, the EBT3 film on the head and neck of the Rando phantom was irradiated by an IMRT device and the irradiation was repeated twice. Finally, the dose designed by the irradiation system was compared with the dose measured by the EBT3 film. Using this criterion, the accuracy of the EBT3 film was evaluated. When using this criterion, a 95% agreement was reached between the planned treatment and the measured values.

Keywords: EBT3, phantom, accuracy, cancer, IMRT

Procedia PDF Downloads 136
1273 Optimization of Leaching Properties of a Low-Grade Copper Ore Using Central Composite Design (CCD)

Authors: Lawrence Koech, Hilary Rutto, Olga Mothibedi

Abstract:

Worldwide demand for copper has led to intensive search for methods of extraction and recovery of copper from different sources. The study investigates the leaching properties of a low-grade copper ore by optimizing the leaching variables using response surface methodology. The effects of key parameters, i.e., temperature, solid to liquid ratio, stirring speed and pH, on the leaching rate constant was investigated using a pH stat apparatus. A Central Composite Design (CCD) of experiments was used to develop a quadratic model which specifically correlates the leaching variables and the rate constant. The results indicated that the model is in good agreement with the experimental data with a correlation coefficient (R2) of 0.93. The temperature and solid to liquid ratio were found to have the most substantial influence on the leaching rate constant. The optimum operating conditions for copper leaching from the ore were identified as temperature at 65C, solid to liquid ratio at 1.625 and stirring speed of 325 rpm which yielded an average leaching efficiency of 93.16%.

Keywords: copper, leaching, CCD, rate constant

Procedia PDF Downloads 219
1272 Contact Temperature of Sliding Surfaces in AISI 316 Austenitic Stainless Steel During PIN on Disk Dry Wear Testing

Authors: Dler Abdullah Ahmed, Zozan Ahmed Mohammed

Abstract:

This study looked into contact surface temperature during a pin-on-disk test. Friction and wear between sliding surfaces raised the temperature differential between the contact surface and ambient temperatures Tdiff. Tdiff was significantly influenced by wear test variables. Tdiff rose with the increase of sliding speed and applied load while dropped with the increase in ambient temperature. The highest Tdiff was 289°C during the tests at room temperature and 2.5 m/s sliding speed, while the minimum was only 24 °C during the tests at 400°C and 0.5 m/s. However, the maximum contact temperature Tmax was found during tests conducted at high ambient temperatures. The Tmax was estimated based on the theoretical equation. The comparison of experimental and theoretical Tmax data revealed good agreement.

Keywords: pin on disk test, contact temperature, wear, sliding surface, friction, ambient temperature

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1271 Dynamic Test and Numerical Analysis of Twin Tunnel

Authors: Changwon Kwak, Innjoon Park, Dongin Jang

Abstract:

Seismic load affects the behavior of underground structure like tunnel broadly. Seismic soil-structure interaction can play an important role in the dynamic behavior of tunnel. In this research, twin tunnel with flexible joint was physically modeled and the dynamic centrifuge test was performed to investigate seismic behavior of twin tunnel. Seismic waves have different frequency were exerted and the characteristics of response were obtained from the test. Test results demonstrated the amplification of peak acceleration in the longitudinal direction in seismic waves. The effect of the flexible joint was also verified. Additionally, 3-dimensional finite difference dynamic analysis was conducted and the analysis results exhibited good agreement with the test results.

Keywords: 3-dimensional finite difference dynamic analysis, dynamic centrifuge test, flexible joint, seismic soil-structure interaction

Procedia PDF Downloads 236
1270 Analysis of the Reaction to the Fire of a Composite Material the Base of Scrapes of Tires and Latex for Thermal Isolation in Vehicles

Authors: Elmo Thiao Lins Cöuras Ford, Valentina Alessandra Carvalho do Vale, R. M. Nascimento, J. U. L. Mendes

Abstract:

Now the great majority of the applications of thermal isolation in the strip of drops and averages temperatures (up to 200ºC), it is made being used from aggressive materials to the nature such an as: glass wool, rock wool, polystyrene, EPS among others. Such materials, in spite of the effectiveness in the retention of the flow of heat, possess considerable cost and when discarded they are long years to be to decompose. In that context, trying to adapt the world politics the about of the preservation of the environment, a study began with intention of developing a material composite, with properties of thermal, originating from insulating industrial residues. In this research, the behavior of the composite was analyzed, as submitted the fire. For this, the reaction rehearsals were accomplished to the fire for the composites 2:1; 1:1; 1:2 and for the latex, based in the "con" experiment in agreement with the norm ASTM–E 1334-90. As consequence, in function of the answers of the system, was possible to observe to the acting of each mixture proportion.

Keywords: composite, Latex, reacion to the fire, thermal isolation

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1269 Adsorption Kinetics and Equilibria at an Air-Liquid Interface of Biosurfactant and Synthetic Surfactant

Authors: Sagheer A. Onaizi

Abstract:

The adsorption of anionic biosurfactant (surfactin) and anionic synthetic surfactant (sodium dodecylbenzenesulphonate, abbreviated as SDOBS) from phosphate buffer containing high concentrations of co- and counter-ions to the air-buffer interface has been investigated. The self-assembly of the two surfactants at the interface has been monitored through dynamic surface tension measurements. The equilibrium surface pressure-surfactant concentration data in the premicellar region were regressed using Gibbs adsorption equation. The predicted surface saturations for SDOBS and surfactin are and, respectively. The occupied area per an SDOBS molecule at the interface saturation condition is while that occupied by a surfactin molecule is. The surface saturations reported in this work for both surfactants are in a very good agreement with those obtained using expensive techniques such as neutron reflectometry, suggesting that the surface tension measurements coupled with appropriate theoretical analysis could provide useful information comparable to those obtained using highly sophisticated techniques.

Keywords: adsorption, air-liquid interface, biosurfactant, surface tension

Procedia PDF Downloads 694
1268 Coupling Heat Transfer by Natural Convection and Thermal Radiation in a Storage Tank of LNG

Authors: R. Hariti, M. Saighi, H. Saidani-Scott

Abstract:

A numerical simulation of natural convection double diffusion, coupled with thermal radiation in unsteady laminar regime in a storage tank is carried out. The storage tank contains a liquefied natural gas (LNG) in its gaseous phase. Fluent, a commercial CFD package, based on the numerical finite volume method, is used to simulate the flow. The radiative transfer equation is solved using the discrete coordinate method. This numerical simulation is used to determine the temperature profiles, stream function, velocity vectors and variation of the heat flux density for unsteady laminar natural convection. Furthermore, the influence of thermal radiation on the heat transfer has been investigated and the results obtained were compared to those found in the literature. Good agreement between the results obtained by the numerical method and those taken on site for the temperature values.

Keywords: tank, storage, liquefied natural gas, natural convection, thermal radiation, numerical simulation

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1267 Mechanical Cortical Bone Characterization with the Finite Element Method Based Inverse Method

Authors: Djamel Remache, Marie Semaan, Cécile Baron, Martine Pithioux, Patrick Chabrand, Jean-Marie Rossi, Jean-Louis Milan

Abstract:

Cortical bone is a complex multi-scale structure. Even though several works have contributed significantly to understanding its mechanical behavior, this behavior remains poorly understood. Nanoindentation testing is one of the primary testing techniques for the mechanical characterization of bone at small scales. The purpose of this study was to provide new nanoindentation data of cortical bovine bone in different directions and at different bone microstructures (osteonal, interstitial and laminar bone), and then to identify anisotropic properties of samples with FEM (finite element method) based inverse method. Experimentally and numerical results were compared. Experimental and numerical results were compared. The results compared were in good agreement.

Keywords: mechanical behavior of bone, nanoindentation, finite element analysis, inverse optimization approach

Procedia PDF Downloads 317
1266 Dynamic Control Theory: A Behavioral Modeling Approach to Demand Forecasting amongst Office Workers Engaged in a Competition on Energy Shifting

Authors: Akaash Tawade, Manan Khattar, Lucas Spangher, Costas J. Spanos

Abstract:

Many grids are increasing the share of renewable energy in their generation mix, which is causing the energy generation to become less controllable. Buildings, which consume nearly 33% of all energy, are a key target for demand response: i.e., mechanisms for demand to meet supply. Understanding the behavior of office workers is a start towards developing demand response for one sector of building technology. The literature notes that dynamic computational modeling can be predictive of individual action, especially given that occupant behavior is traditionally abstracted from demand forecasting. Recent work founded on Social Cognitive Theory (SCT) has provided a promising conceptual basis for modeling behavior, personal states, and environment using control theoretic principles. Here, an adapted linear dynamical system of latent states and exogenous inputs is proposed to simulate energy demand amongst office workers engaged in a social energy shifting game. The energy shifting competition is implemented in an office in Singapore that is connected to a minigrid of buildings with a consistent 'price signal.' This signal is translated into a 'points signal' by a reinforcement learning (RL) algorithm to influence participant energy use. The dynamic model functions at the intersection of the points signals, baseline energy consumption trends, and SCT behavioral inputs to simulate future outcomes. This study endeavors to analyze how the dynamic model trains an RL agent and, subsequently, the degree of accuracy to which load deferability can be simulated. The results offer a generalizable behavioral model for energy competitions that provides the framework for further research on transfer learning for RL, and more broadly— transactive control.

Keywords: energy demand forecasting, social cognitive behavioral modeling, social game, transfer learning

Procedia PDF Downloads 96
1265 A Design of Active Elastic Metamaterial with Extreme Anisotropic Stiffness

Authors: Conner Side, Hunter Pearce

Abstract:

Traditional elastic metamaterials have difficulties in achieving independent tunable working frequency in two orthogonal directions. In this work, we proposed a pragmatic active elastic metamaterial to obtain extreme anisotropic stiffness with a tunable working frequency range. Piezoelectric patches shunted with variable conductance are properly proposed in the microstructure unit cell to manipulate the effective elastic stiffness along two principal directions at the subwavelength scale. Simulation of manipulation of wave propagation in such metamaterials is performed. An experimental study is also conducted to validate the design, and the results are in good agreement with mathematic analysis and numerical predictions. The proposed active elastic metamaterial will bring forth significant guidelines for ultrasonic imaging technique, and the results are expected to offer novel and general design methodology for elastic metamaterials.

Keywords: microstructure, active elastic metamaterials, piezoelectric patches, experimental study

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1264 Experimental and Numerical Study of the Thermomagnetic Convection of Ferrofluid Driven by Non-Uniform Magnetic Field around a Current-Carrying Wire

Authors: Ashkan Vatani, Petere Woodfiel, Nam-Trung Nguyen, Dzung Dao

Abstract:

Thermomagnetic convection of a ferrofluid flow induced by the non-uniform magnetic field around a current-carrying wire was theoretically analyzed, numerically studied and experimentally validated. The dependency of the thermomagnetic convection on the current and fluid temperature has been studied. The Nusselt number for a heated 50um diameter wire in the ferrofluid exponentially scales with applied current to the micro-wire. This result is in good agreement with the correlated Nusselt number by curve-fitting the experimental data at different fluid temperatures. It was shown that at low currents, no significance is observed for thermomagnetic convection rather than the buoyancy-driven convection, while the thermomagnetic convection becomes dominant at high currents. Also, numerical simulations showed a promising cooling ability for large scale applications.

Keywords: ferrofluid, non-uniform magnetic field, Nusselt number, thermomagnetic convection

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1263 First Principles Study of Structural and Elastic Properties of BaWO4 Scheelite Phase Structure under Pressure

Authors: Abdennour Benmakhlouf, Abdelouahab Bentabet

Abstract:

In this paper, we investigated the athermal pressure behavior of the structural and elastic properties of scheelite BaWO4 phase up to 7 GPa using the ab initio pseudo-potential method. The calculated lattice parameters pressure relation have been compared with the experimental values and found to be in good agreement with these results. Moreover, we present for the first time the investigation of the elastic properties of this compound using the density functional perturbation theory (DFPT). It is shown that this phase is mechanically stable up to 7 GPa after analyzing the calculated elastic constants. Other relevant quantities such as bulk modulus, pressure derivative of bulk modulus, shear modulus; Young’s modulus, Poisson’s ratio, anisotropy factors, Debye temperature and sound velocity have been calculated. The obtained results, which are reported for the first time to the best of the author’s knowledge, can facilitate assessment of possible applications of the title material.

Keywords: pseudo-potential method, pressure, structural and elastic properties, scheelite BaWO4 phase

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1262 Investigation of the Mechanism, Régio and Sterioselectivity Using the 1,3-Dipolar Cycloaddition Reaction of Fused 1h-Pyrrole-2,3-Diones with Nitrones: Molecular Electron Density Theory Study

Authors: Ameur Soukaina, Zeroual Abdellah, Mazoir Noureddine

Abstract:

Molecular Electron Density Theory (MEDT) elucidates the regioselectivity of the [4+2] cycloaddition reaction between 3-aroylpyrrolo[1,2-α]quinoxaline-1,2,4(5H)-trione and butyl vinyl ether Regioselectivity and stereoselectivity. The regioselectivity mechanisms of these reactions were investigated by evaluating potential energy surfaces calculated for cycloaddition processes and DFT density-based reactivity indices. These methods have been successfully applied to predict preferred regioisomers for different method alternatives. Reactions were monitored by performing transition state optimizations, calculations of intrinsic reaction coordinates, and activation energies. The observed regioselectivity was rationalized using DFT-based reactivity descriptors such as the Parr function. Solvent effects were also investigated in 1,4-dioxane solvent using a field model for self-consistent reactions. The results were compared with experimental data to find good agreement.

Keywords: cycloaddition, DFT, ELF, MEDT, parr, stereoselectivité

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1261 Equivalent Circuit Model for the Eddy Current Damping with Frequency-Dependence

Authors: Zhiguo Shi, Cheng Ning Loong, Jiazeng Shan, Weichao Wu

Abstract:

This study proposes an equivalent circuit model to simulate the eddy current damping force with shaking table tests and finite element modeling. The model is firstly proposed and applied to a simple eddy current damper, which is modelled in ANSYS, indicating that the proposed model can simulate the eddy current damping force under different types of excitations. Then, a non-contact and friction-free eddy current damper is designed and tested, and the proposed model can reproduce the experimental observations. The excellent agreement between the simulated results and the experimental data validates the accuracy and reliability of the equivalent circuit model. Furthermore, a more complicated model is performed in ANSYS to verify the feasibility of the equivalent circuit model in complex eddy current damper, and the higher-order fractional model and viscous model are adopted for comparison.

Keywords: equivalent circuit model, eddy current damping, finite element model, shake table test

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1260 Thermodynamics of Aqueous Solutions of Organic Molecule and Electrolyte: Use Cloud Point to Obtain Better Estimates of Thermodynamic Parameters

Authors: Jyoti Sahu, Vinay A. Juvekar

Abstract:

Electrolytes are often used to bring about salting-in and salting-out of organic molecules and polymers (e.g. polyethylene glycols/proteins) from the aqueous solutions. For quantification of these phenomena, a thermodynamic model which can accurately predict activity coefficient of electrolyte as a function of temperature is needed. The thermodynamics models available in the literature contain a large number of empirical parameters. These parameters are estimated using lower/upper critical solution temperature of the solution in the electrolyte/organic molecule at different temperatures. Since the number of parameters is large, inaccuracy can bethe creep in during their estimation, which can affect the reliability of prediction beyond the range in which these parameters are estimated. Cloud point of solution is related to its free energy through temperature and composition derivative. Hence, the Cloud point measurement can be used for accurate estimation of the temperature and composition dependence of parameters in the model for free energy. Hence, if we use a two pronged procedure in which we first use cloud point of solution to estimate some of the parameters of the thermodynamic model and determine the rest using osmotic coefficient data, we gain on two counts. First, since the parameters, estimated in each of the two steps, are fewer, we achieve higher accuracy of estimation. The second and more important gain is that the resulting model parameters are more sensitive to temperature. This is crucial when we wish to use the model outside temperatures window within which the parameter estimation is sought. The focus of the present work is to prove this proposition. We have used electrolyte (NaCl/Na2CO3)-water-organic molecule (Iso-propanol/ethanol) as the model system. The model of Robinson-Stokes-Glukauf is modified by incorporating the temperature dependent Flory-Huggins interaction parameters. The Helmholtz free energy expression contains, in addition to electrostatic and translational entropic contributions, three Flory-Huggins pairwise interaction contributions viz., and (w-water, p-polymer, s-salt). These parameters depend both on temperature and concentrations. The concentration dependence is expressed in the form of a quadratic expression involving the volume fractions of the interacting species. The temperature dependence is expressed in the form .To obtain the temperature-dependent interaction parameters for organic molecule-water and electrolyte-water systems, Critical solution temperature of electrolyte -water-organic molecules is measured using cloud point measuring apparatus The temperature and composition dependent interaction parameters for electrolyte-water-organic molecule are estimated through measurement of cloud point of solution. The model is used to estimate critical solution temperature (CST) of electrolyte water-organic molecules solution. We have experimentally determined the critical solution temperature of different compositions of electrolyte-water-organic molecule solution and compared the results with the estimates based on our model. The two sets of values show good agreement. On the other hand when only osmotic coefficients are used for estimation of the free energy model, CST predicted using the resulting model show poor agreement with the experiments. Thus, the importance of the CST data in the estimation of parameters of the thermodynamic model is confirmed through this work.

Keywords: concentrated electrolytes, Debye-Hückel theory, interaction parameters, Robinson-Stokes-Glueckauf model, Flory-Huggins model, critical solution temperature

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1259 A Patent Trend Analysis for Hydrogen Based Ironmaking: Identifying the Technology’s Development Phase

Authors: Ebru Kaymaz, Aslı İlbay Hamamcı, Yakup Enes Garip, Samet Ay

Abstract:

The use of hydrogen as a fuel is important for decreasing carbon emissions. For the steel industry, reducing carbon emissions is one of the most important agendas of recent times globally. Because of the Paris Agreement requirements, European steel industry studies on green steel production. Although many literature reviews have analyzed this topic from technological and hydrogen based ironmaking, there are very few studies focused on patents of decarbonize parts of the steel industry. Hence, this study focus on technological progress of hydrogen based ironmaking and on understanding the main trends through patent data. All available patent data were collected from Questel Orbit. The trend analysis of more than 900 patent documents has been carried out by using Questel Orbit Intellixir to analyze a large number of data for scientific intelligence.

Keywords: hydrogen based ironmaking, DRI, direct reduction, carbon emission, steelmaking, patent analysis

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1258 Performance and Emission Prediction in a Biodiesel Engine Fuelled with Honge Methyl Ester Using RBF Neural Networks

Authors: Shiva Kumar, G. S. Vijay, Srinivas Pai P., Shrinivasa Rao B. R.

Abstract:

In the present study RBF neural networks were used for predicting the performance and emission parameters of a biodiesel engine. Engine experiments were carried out in a 4 stroke diesel engine using blends of diesel and Honge methyl ester as the fuel. Performance parameters like BTE, BSEC, Tech and emissions from the engine were measured. These experimental results were used for ANN modeling. RBF center initialization was done by random selection and by using Clustered techniques. Network was trained by using fixed and varying widths for the RBF units. It was observed that RBF results were having a good agreement with the experimental results. Networks trained by using clustering technique gave better results than using random selection of centers in terms of reduced MRE and increased prediction accuracy. The average MRE for the performance parameters was 3.25% with the prediction accuracy of 98% and for emissions it was 10.4% with a prediction accuracy of 80%.

Keywords: radial basis function networks, emissions, performance parameters, fuzzy c means

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1257 An ab initioStudy of the Structural, Elastic, Electronic, and Optical Properties of the Perovskite ScRhO3

Authors: L. Foudia, K. Haddadi, M. Reffas

Abstract:

First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β, are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function, have been calculated for radiation up to 40 eV.

Keywords: ab-initio, perovskite, DFT, band gap

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