Search results for: dayton peace agreement
1438 Delayed Contralateral Prophylactic Mastectomy (CPM): Reasons and Rationale for Patients with Unilateral Breast Cancer
Authors: C. Soh, S. Muktar, C. M. Malata, J. R. Benson
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Introduction Reasons for requesting CPM include prevention of recurrence, peace of mind and moving on after breast cancer. Some women seek CPM as a delayed procedure but factors influencing this are poorly understood. Methods A retrospective analysis examined patients undergoing CPM as either an immediate or delayed procedure with or without breast reconstruction (BR) between January 2009 and December 2019. A cross-sectional survey based on validated questionnaires (5 point Likert scale) explored patients’ decision-making process in terms of timing of CPM and any BR. Results A total of 123 patients with unilateral breast cancer underwent CPM with 39 (32.5%) delayed procedures with or without BR. The response rate amongst patients receiving questionnaires (n=33) was 22/33 (66%). Within this delayed CPM cohort were three reconstructive scenarios 1) unilateral immediate BR with CPM (n=12); 2) delayed CPM with concomitant bilateral BR (n=22); 3) delayed bilateral BR after delayed CPM (n=3). Two patients had delayed CPM without BR. The most common reason for delayed CPM was to complete all cancer treatments (including radiotherapy) before surgery on the unaffected breast (score 2.91). The second reason was unavailability of genetic test results at the time of therapeutic mastectomy (score 2.64) whilst the third most cited reason was a subsequent change in family cancer history. Conclusion Factors for delayed CPM are patient-driven with few women spontaneously changing their mind having initially decided against immediate CPM for reasons also including surgical duration. CPM should be offered as a potentially delayed option with informed discussion of risks and benefits.Keywords: Breast Cancer, CPM, Prophylactic, Rationale
Procedia PDF Downloads 1111437 Separation of Mercury(Ii) from Petroleum Produced Water via Hollow Fiber Supported Liquid Membrane and Mass Transfer Modeling
Authors: Srestha Chaturabul, Wanchalerm Srirachat, Thanaporn Wannachod, Prakorn Ramakul, Ura Pancharoen, Soorathep Kheawhom
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The separation of mercury(II) from petroleum-produced water from the Gulf of Thailand was carried out using a hollow fiber supported liquid membrane system (HFSLM). Optimum parameters for feed pretreatment were 0.2 M HCl, 4% (v/v) Aliquat 336 for extractant and 0.1 M thiourea for stripping solution. The best percentage obtained for extraction was 99.73% and for recovery 90.11%, respectively. The overall separation efficiency noted was 94.92% taking account of both extraction and recovery prospects. The model for this separation developed along a combined flux principle i.e. convection–diffusion–kinetic. The results showed excellent agreement with theoretical data at an average standard deviation of 1.5% and 1.8%, respectively.Keywords: separation, mercury(ii), petroleum produced water, hollow fiber, liquid membrane
Procedia PDF Downloads 2931436 Heat Capacity of a Soluble in Water Protein: Equilibrium Molecular Dynamics Simulation
Authors: A. Rajabpour, A. Hadizadeh Kheirkhah
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Heat transfer is of great importance to biological systems in order to function properly. In the present study, specific heat capacity as one of the most important heat transfer properties is calculated for a soluble in water Lysozyme protein. Using equilibrium molecular dynamics (MD) simulation, specific heat capacities of pure water, dry lysozyme, and lysozyme-water solution are calculated at 300K for different weight fractions. It is found that MD results are in good agreement with ideal binary mixing rule at small weight fractions. Results of all simulations have been validated with experimental data.Keywords: specific heat capacity, molecular dynamics simulation, lysozyme protein, equilibrium
Procedia PDF Downloads 3041435 A Numerical and Experimental Analysis of the Performance of a Combined Solar Unit for Air Conditioning and Water Desalination
Authors: Zied Guidara, Alexander Morgenstern, Aref Younes Maalej
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In this paper, a desiccant solar unit for air conditioning and desalination is presented first. Secondly, a dynamic modelling study of the desiccant wheel is developed. After that, a simulation study and an experimental investigation of the behaviour of desiccant wheel are developed. The experimental investigation is done in the chamber of commerce in Freiburg-Germany. Indeed, the variations of calculated and measured temperatures and specific humidity of dehumidified and rejected air are presented where a good agreement is found when comparing the model predictions with experimental data under the considered range of operating conditions. Finally, the study of the compartments of desalination and water condensation shows that the unit can produce an acceptable quantity of water at the same time of the air conditioning operation.Keywords: air conditioning, desalination, condensation, design, desiccant wheel
Procedia PDF Downloads 4971434 On the PTC Thermistor Model with a Hyperbolic Tangent Electrical Conductivity
Authors: M. O. Durojaye, J. T. Agee
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This paper is on the one-dimensional, positive temperature coefficient (PTC) thermistor model with a hyperbolic tangent function approximation for the electrical conductivity. The method of asymptotic expansion was adopted to obtain the steady state solution and the unsteady-state response was obtained using the method of lines (MOL) which is a well-established numerical technique. The approach is to reduce the partial differential equation to a vector system of ordinary differential equations and solve numerically. Our analysis shows that the hyperbolic tangent approximation introduced is well suitable for the electrical conductivity. Numerical solutions obtained also exhibit correct physical characteristics of the thermistor and are in good agreement with the exact steady state solutions.Keywords: electrical conductivity, hyperbolic tangent function, PTC thermistor, method of lines
Procedia PDF Downloads 3191433 Finite Element and Experimental Investigation of Ductile Crack Growth of Surface Cracks
Authors: Osama A. Terfas, Abdelhakim A. Hameda, Abdusalam A. Alktiwi
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An investigation on ductile crack growth of shallow semi-elliptical surface cracks with a/w=0.2, a/c=0.33 under bending was carried out, where a is the crack depth, w is the plate thickness and c is the crack length at surface. Finite element analysis and experiments were modelling and the crack growth model were verified with experimental data. The results showed that the initial crack shape was no longer maintained as the crack developed under ductile tearing. The maximum growth at the deepest point at early stages was stopped when the crack depth reached half thickness and growth occurred beneath surface. Excellent agreement in the crack shape patterns was observed between the experiments and the crack growth model.Keywords: crack growth, ductile tearing, mean stress, surface cracks
Procedia PDF Downloads 4821432 Structural, Electronic and Optical Properties of LiₓNa1-ₓH for Hydrogen Storage
Authors: B. Bahloul
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This study investigates the structural, electronic, and optical properties of LiH and NaH compounds, as well as their ternary mixed crystals LiₓNa1-ₓH, adopting a face-centered cubic structure with space group Fm-3m (number 225). The structural and electronic characteristics are examined using density functional theory (DFT), while empirical methods, specifically the modified Moss relation, are employed for analyzing optical properties. The exchange-correlation potential is determined through the generalized gradient approximation (PBEsol-GGA) within the density functional theory (DFT) framework, utilizing the projected augmented wave pseudopotentials (PAW) approach. The Quantum Espresso code is employed for conducting these calculations. The calculated lattice parameters at equilibrium volume and the bulk modulus for x=0 and x=1 exhibit good agreement with existing literature data. Additionally, the LiₓNa1-ₓH alloys are identified as having a direct band gap.Keywords: DFT, structural, electronic, optical properties
Procedia PDF Downloads 651431 Simulations of a Jet Impinging on a Flat Plate
Authors: Reda Mankbadi
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In this paper we explore the use of a second-order unstructured-grid, finite-volume code for direct noise prediction. We consider a Mach 1.5 jet impinging on a perpendicular flat plate. Hybrid LES-RANS simulations are used to calculate directly both the flow field and the radiated sound. The ANSYS Fluent commercial code is utilized for the calculations. The acoustic field is obtained directly from the simulations and is compared with the integral approach of Ffowcs Williams-Hawkings (FWH). Results indicate the existence of a preferred radiation angle. The spectrum obtained is in good agreement with observations. This points out to the possibility of handling the effects of complicated geometries on noise radiation by using unstructured second-orders codes.Keywords: CFD, Ffowcs Williams-Hawkings (FWH), imping jet, ANSYS fluent commercial code, hybrid LES-RANS simulations
Procedia PDF Downloads 4471430 Free Vibration of Orthotropic Plate with Four Clamped Edges
Authors: Yang Zhong, Meijie Xu
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The explicit solutions for the natural frequencies and mode shapes of the orthotropic rectangular plate with four clamped edges are presented by the double finite cosine integral transform method. In the analysis procedure, the classical orthotropic rectangular thin plate is considered. Because only are the basic dynamic elasticity equations of the orthotropic thin plate adopted, it is not need prior to select the deformation function arbitrarily. Therefore, the solution developed by this paper is reasonable and theoretical. Finally, an illustrative example is given and the results are compared with those reported earlier. This method is found to be easier and effective. The results show reasonable agreement with other available results, but with a simpler and practical approach.Keywords: rectangular orthotropic plate, four clamped edges, natural frequencies and mode shapes, finite integral transform
Procedia PDF Downloads 5721429 Reliability Assessment of Various Empirical Formulas for Prediction of Scour Hole Depth (Plunge Pool) Using a Comprehensive Physical Model
Authors: Majid Galoie, Khodadad Safavi, Abdolreza Karami Nejad, Reza Roshan
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In this study, a comprehensive scouring model has been developed in order to evaluate the accuracy of various empirical relationships which were suggested for prediction of scour hole depth in plunge pools by Martins, Mason, Chian and Veronese. For this reason, scour hole depths caused by free falling jets from a flip bucket to a plunge pool were investigated. In this study various discharges, angles, scouring times, etc. have been considered. The final results demonstrated that the all mentioned empirical formulas, except Mason formula, were reasonably agreement with the experimental data.Keywords: scour hole depth, plunge pool, physical model, reliability assessment
Procedia PDF Downloads 5321428 Parametric Dependence of the Advection-Diffusion Equation in Two Dimensions
Authors: Matheus Fernando Pereira, Varese Salvador Timoteo
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In this work, we have solved the two-dimensional advection-diffusion equation numerically for a spatially dependent solute dispersion along non-uniform flow with a pulse type source in order to make a systematic study on the influence of medium heterogeneity, initial flow velocity, and initial dispersion coefficient parameters on the solutions of the equation. The behavior of the solutions is then investigated as we change the three parameters independently. Our results show that even though the parameters represent different physical features of the system, the effect on their variation is very similar. We also observe that the effects caused by the parameters on the concentration depend on the distance from the source. Finally, our numerical results are in good agreement with the exact solutions for all values of the parameters we used in our analysis.Keywords: advection-diffusion equation, dispersion, numerical methods, pulse-type source
Procedia PDF Downloads 2361427 Identifying Neighborhoods at Potential Risk of Food Insecurity in Rural British Columbia
Authors: Amirmohsen Behjat, Aleck Ostry, Christina Miewald, Bernie Pauly
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Substantial research has indicated that socioeconomic and demographic characteristics’ of neighborhoods are strong determinants of food security. The aim of this study was to develop a Food Insecurity Neighborhood Index (FINI) based on the associated socioeconomic and demographic variables to identify the areas at potential risk of food insecurity in rural British Columbia (BC). Principle Component Analysis (PCA) technique was used to calculate the FINI for each rural Dissemination Area (DA) using the food security determinant variables from Canadian Census data. Using ArcGIS, the neighborhoods with the top quartile FINI values were classified as food insecure. The results of this study indicated that the most food insecure neighborhood with the highest FINI value of 99.1 was in the Bulkley-Nechako (central BC) area whereas the lowest FINI with the value of 2.97 was for a rural neighborhood in the Cowichan Valley area. In total, 98.049 (19%) of the rural population of British Columbians reside in high food insecure areas. Moreover, the distribution of food insecure neighborhoods was found to be strongly dependent on the degree of rurality in BC. In conclusion, the cluster of food insecure neighbourhoods was more pronounced in Central Coast, Mount Wadington, Peace River, Kootenay Boundary, and the Alberni-Clayoqout Regional Districts.Keywords: neighborhood food insecurity index, socioeconomic and demographic determinants, principal component analysis, Canada census, ArcGIS
Procedia PDF Downloads 1621426 First-Principles Density Functional Study of Nitrogen-Doped P-Type ZnO
Authors: Abdusalam Gsiea, Ramadan Al-habashi, Mohamed Atumi, Khaled Atmimi
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We present a theoretical investigation on the structural, electronic properties and vibrational mode of nitrogen impurities in ZnO. The atomic structures, formation and transition energies and vibrational modes of (NO3)i interstitial or NO4 substituting on an oxygen site ZnO were computed using ab initio total energy methods. Based on Local density functional theory, our calculations are in agreement with one interpretation of bound-excition photoluminescence for N-doped ZnO. First-principles calculations show that (NO3)i defects interstitial or NO4 substituting on an Oxygen site in ZnO are important suitable impurity for p-type doping in ZnO. However, many experimental efforts have not resulted in reproducible p-type material with N2 and N2O doping. by means of first-principle pseudo-potential calculation we find that the use of NO or NO2 with O gas might help the experimental research to resolve the challenge of achieving p-type ZnO.Keywords: DFF, nitrogen, p-type, ZnO
Procedia PDF Downloads 4591425 Radiative Reactions Analysis at the Range of Astrophysical Energies
Authors: A. Amar
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Analysis of the elastic scattering of protons on 10B nuclei has been done in the framework of the optical model and single folding model at the beam energies up to 17 MeV. We could enhance the optical potential parameters using Esis88 Code, as well as SPI GENOA Code. Linear relationship between volume real potential (V0) and proton energy (Ep) has been obtained. Also, surface imaginary potential WD is proportional to the proton energy (Ep) in the range 0.400 and 17 MeV. The radiative reaction 10B(p,γ)11C has been analyzed using potential model. A comparison between 10B(p,γ)11C and 6Li(p,γ)7Be has been made. Good agreement has been found between theoretical and experimental results in the whole range of energy. The radiative resonance reaction 7Li(p,γ)8Be has been studied.Keywords: elastic scattering of protons on 10B nuclei, optical potential parameters, potential model, radiative reaction
Procedia PDF Downloads 2051424 Ideological Framing in Television News: The Case of “Settlement Process”
Authors: Mete Kazaz, Birol Gülnar
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Television news has gained a new dimension in terms of ideological approaches as a result of such factors as globalization, cross monopolization, presence of international companies etc. and certain strategies have been developed at the production, presentation and distribution stages of news. In this study, television news about a process called “settlement process” was investigated. In this framework, news about the settlement process on TV channels of TRT 1, ATV, FOX TV, NTV, HABERTÜRK, TRT HABER and STV was investigated using the content analysis method in terms of the strategies the ideology construction, attitude towards the party in power, attitude towards parties in opposition and attitude towards BDP (Peace and Democracy Part) and Imrali (the island where Abdullah Ocalan, head of PKK, is kept). First, the aforementioned TV channels were selected randomly from 3 groups in order to be able to reveal the representational capacity of commercial, news and public channels. The study covers 557 news items broadcast in the main news bulletins between the dates of 15 March 2013 and 15 March 2013. While there was a positive attitude towards the government in a sizable portion of the news about the settlement process (63.6%), the attitude of 25.3% of the news was impartial towards the government and 11.3% had a negative attitude. On the other hand, there was a negative attitude towards the Opposition in a considerable portion of the news about the settlement process (56.1%). The attitude of 35.9% of the news towards the Opposition was impartial whereas 8.0% had a positive attitude. While 34.9% of the news about the settlement process used the legitimization strategy from among the ideology construction strategies, 22.8% used the unification strategy, 15.7% the reification strategy, 15.6% fractional and 11% concealment/mystification strategy.Keywords: attitude, ideological framing, television news, social sciences
Procedia PDF Downloads 3501423 Heat Transfer Performance for Turbulent Flow through a Tube Using Baffles
Authors: Amina Benabderrahmane, Abdelylah Benazza, Samir Laouedj
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Three dimensional numerical investigation of heat transfer enhancement inside a non-uniformly heated parabolic trough solar collector fitted with baffles under turbulent flow was studied in the current paper. Molten salt is used as heat transfer fluid and simulations are carried out in ANSYS computational fluid dynamics (CFD). The present data was validating by the empirical correlations available in the literatures and good agreement was obtained. The Nusselt number and friction factor values for using baffles are considerably higher than that for smooth pipe. The emplacement and the distance between two consecutive baffles have an effect non-negligible on heat transfer characteristics; the results demonstrate that the temperature gradient reduces with the inclusion of inserts.Keywords: Baffles, heat transfer enhancement, molten salt, Monte Carlo ray trace technique, numerical investigation
Procedia PDF Downloads 2941422 The Role of Foreign Investment in Fostering Economic Growth in Post War Countries
Authors: Khadija Amin
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The significant contribution of foreign investment in promoting economic recovery, especially in countries recovering from conflict, is generally recognized. This study examines the influence of foreign investment on the economic development of countries that have had long-lasting internal conflicts. The study examines the complex correlation between foreign investment and economic progress using the production function framework based on endogenous growth theory. In addition to foreign investment, the research considers a range of factors that affect economic growth, such as trade dynamics, the spread of information, attempts to promote peace, changes in the labor market, and the accumulation of domestic capital. The study challenges common beliefs by revealing a statistically negligible negative association between GDP growth and foreign investment (FI) inflows in post-war economies. The existing literature highlights the positive impact of trade and foreign investment on economic growth. However, this study emphasizes that these impacts are complex and depend on various contextual factors such as trade policies, infrastructure development, domestic investment levels, human capital development, and macroeconomic stability. The results emphasize the crucial significance of foreign investment in stimulating development while also drawing attention to the intricacies of precisely assessing its economic consequences. Measuring the economic impact of foreign investment is a difficult task that requires detailed analysis considering many contextual elements and changing socioeconomic conditions.Keywords: economic grouths, foreign investment, trade policies, domestic investment
Procedia PDF Downloads 331421 Pilot Scale Deproteinization Study on Fish Scale Using Response Surface Methodology
Authors: Fatima Bellali, Mariem Kharroubi
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Fish scale wastes are one of the main sources of production of value-added products such as collagen. The main aim of this study is to investigate the optimization conditions of the sardine scale deproteinization using response surface methodology (RSM) on a pilot scale. In order to look for the optimal conditions, a Box–Behnken-based design of experiment (DOE) method was carried out. The model predicted values of product coal ash content were in good agreement with the experiment values (R2 = 0.9813). Finally, model-based optimization was carried out to identify the operating parameters (reaction time=4h and the solid-liquid ratio= 1/10) and to obtain the lowest collagen content.Keywords: pilot scale, Plackett and Burman design, fish waste, deproteinization
Procedia PDF Downloads 1551420 A Simple Heat and Mass Transfer Model for Salt Gradient Solar Ponds
Authors: Safwan Kanan, Jonathan Dewsbury, Gregory Lane-Serff
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A salinity gradient solar pond is a free energy source system for collecting, converting and storing solar energy as heat. In this paper, the principles of solar pond are explained. A mathematical model is developed to describe and simulate heat and mass transfer behavior of salinity gradient solar pond. Matlab codes are programmed to solve the one dimensional finite difference method for heat and mass transfer equations. Temperature profiles and concentration distributions are calculated. The numerical results are validated with experimental data and the results are found to be in good agreement.Keywords: finite difference method, salt-gradient solar-pond, solar energy, transient heat and mass transfer
Procedia PDF Downloads 3671419 Pedestrian Areas, Development Stimulus in Urban Old Fabrics; Analyzing Stroget, Pedestrian Street in Copenhagen
Authors: Kiomars Habibi, Mostafa Behzadfar, Airin Jaberi
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Designing appropriate places for the comfort of pedestrians is one of the most important aspects of modern urbanization and renovation and rehabilitation stimulus of urban old fabrics. So, that special cities designed for pedestrians with a complete network of streets without cars, can be considered as one of the best habitations in the world. The number of these cities with a network of streets and squares in which beauty, enjoyment and comfort are mostly concerned for the pedestrians designed regions is increasing around the world, such as Stockholm, Copenhagen, Munich, Frankfurt, Venice, Rome, etc. In this paper, we are going to explain the influential factors regarding the efficiency of these cities by identifying one of the most important pedestrian ways of the world; Strøget is a car free zone in Copenhagen, Denmark. This popular tourist attraction in the center of town is the longest pedestrian shopping area in Europe. Analyses indicate that world-wide experience concerning the renovation and rehabilitation of old fabrics has many advantages in exploiting the idea of pedestrian way for regeneration of old fabrics. Transforming the streets to appropriate places for the comfort of pedestrians, expanding the public spaces such as city squares, and decreasing the masses of building alongside the brought comfort and peace is the main reason in the success of Strøget pedestrian street in urban old fabrics of Copenhagen. Hypothesis: The Strøget pedestrian street has been the development stimulus in Copenhagen and the urban old fabrics development as a resultKeywords: development, stimulus, pedestrian street, urban landscape, Stroget
Procedia PDF Downloads 1041418 An Evaluation of the Artificial Neural Network and Adaptive Neuro Fuzzy Inference System Predictive Models for the Remediation of Crude Oil-Contaminated Soil Using Vermicompost
Authors: Precious Ehiomogue, Ifechukwude Israel Ahuchaogu, Isiguzo Edwin Ahaneku
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Vermicompost is the product of the decomposition process using various species of worms, to create a mixture of decomposing vegetable or food waste, bedding materials, and vemicast. This process is called vermicomposting, while the rearing of worms for this purpose is called vermiculture. Several works have verified the adsorption of toxic metals using vermicompost but the application is still scarce for the retention of organic compounds. This research brings to knowledge the effectiveness of earthworm waste (vermicompost) for the remediation of crude oil contaminated soils. The remediation methods adopted in this study were two soil washing methods namely, batch and column process which represent laboratory and in-situ remediation. Characterization of the vermicompost and crude oil contaminated soil were performed before and after the soil washing using Fourier transform infrared (FTIR), scanning electron microscopy (SEM), X-ray fluorescence (XRF), X-ray diffraction (XRD) and Atomic adsorption spectrometry (AAS). The optimization of washing parameters, using response surface methodology (RSM) based on Box-Behnken Design was performed on the response from the laboratory experimental results. This study also investigated the application of machine learning models [Artificial neural network (ANN), Adaptive neuro fuzzy inference system (ANFIS). ANN and ANFIS were evaluated using the coefficient of determination (R²) and mean square error (MSE)]. Removal efficiency obtained from the Box-Behnken design experiment ranged from 29% to 98.9% for batch process remediation. Optimization of the experimental factors carried out using numerical optimization techniques by applying desirability function method of the response surface methodology (RSM) produce the highest removal efficiency of 98.9% at absorbent dosage of 34.53 grams, adsorbate concentration of 69.11 (g/ml), contact time of 25.96 (min), and pH value of 7.71, respectively. Removal efficiency obtained from the multilevel general factorial design experiment ranged from 56% to 92% for column process remediation. The coefficient of determination (R²) for ANN was (0.9974) and (0.9852) for batch and column process, respectively, showing the agreement between experimental and predicted results. For batch and column precess, respectively, the coefficient of determination (R²) for RSM was (0.9712) and (0.9614), which also demonstrates agreement between experimental and projected findings. For the batch and column processes, the ANFIS coefficient of determination was (0.7115) and (0.9978), respectively. It can be concluded that machine learning models can predict the removal of crude oil from polluted soil using vermicompost. Therefore, it is recommended to use machines learning models to predict the removal of crude oil from contaminated soil using vermicompost.Keywords: ANFIS, ANN, crude-oil, contaminated soil, remediation and vermicompost
Procedia PDF Downloads 1061417 An Ab Initio Study of Delafossite Transparent Conductive Oxides Cu(In, Ga)O2 and Absorbers Films Cu(In, Ga)S2 in Solar-Cell
Authors: Mokdad Sakhri, Youcef Bouhadda
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Thin film chalcopyrite technology is thus nowadays a solid candidate for photovoltaic cells. The currently used window layer for the solar cell Cu(In,Ga)S2 is our interest point in this work. For this purpose, we have performed a first-principles study of structural, electronic and optical properties for both delafossite transparent conductive oxides Cu (In, Ga)O2 and absorbers films Cu(In,Ga)S2. The calculations have been carried out within the local density functional (LDA) and generalized gradient approximations (GGA) combined with the hubbard potential using norm-conserving pseudopotentials and a plane-wave basis with ABINIT code. We have found the energy gap is :1.6, 2.53, 3.6, 3.8 eV for CuInS2, CuGaS2, CuInO2 and CuGaO2 respectively. The results are in good agreement with experimental results.Keywords: ABINIT code, DFT, electronic and optical properties, solar-cell absorbers, delafossite transparent conductive oxides
Procedia PDF Downloads 5641416 A DFT-Based QSARs Study of Kovats Retention Indices of Adamantane Derivatives
Authors: Z. Bayat
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A quantitative structure–property relationship (QSPR) study was performed to develop models those relate the structures of 65 Kovats retention index (RI) of adamantane derivatives. Molecular descriptors derived solely from 3D structures of the molecular compounds. The usefulness of the quantum chemical descriptors, calculated at the level of the DFT theories using 6-311+G** basis set for QSAR study of adamantane derivatives was examined. The use of descriptors calculated only from molecular structure eliminates the need to experimental determination of properties for use in the correlation and allows for the estimation of RI for molecules not yet synthesized. The prediction results are in good agreement with the experimental value. A multi-parametric equation containing maximum Four descriptors at B3LYP/6-31+G** method with good statistical qualities (R2train=0.913, Ftrain=97.67, R2test=0.770, Ftest=3.21, Q2LOO=0.895, R2adj=0.904, Q2LGO=0.844) was obtained by Multiple Linear Regression using stepwise method.Keywords: DFT, adamantane, QSAR, Kovat
Procedia PDF Downloads 3641415 The Rise of Boko Haram in Nigeria: Lesson for Ghana
Authors: Emmanuel Anim
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Ghana has been touted as an oasis of peace in Africa following her relatively peaceful democratic elections, proliferated number of the media, and freedom of speech. Besides, the former Gold Coast country is yet to experience any major incidence of terrorism. Nevertheless, the somewhat occasional simmering violence and conflicts arising from political, religious and chieftaincy skirmishes, largely at its northern part portrays that it is not immune to the political violence of terrorism. The predominantly-based qualitative research reveals that current conditions of socio-politico-economic, and religious issues in Ghana places the West African country on the possible sidelines of the phenomenon of terrorism, when its status quo is juxtaposed with the factors enumerated to have culminated in the rise of Boko Haram, and its accompanying insurgency in Nigeria. Arguing from the perspective of the theory of Social Movement, the analyses and discussions note that the current state of affairs in Ghana could foster domestic terrorism in the country. What is more, the research shows that Ghana faces threats from transnational terrorism given the tendency for elements in Ghana to sympathize and subscribe to the ideological dictates and appeals from Boko Haram and other terrorist organizations. As a consequence, the study recommends that adverse conditions of poverty, poor governance, unemployment, and rising levels of (Islamic) religious radicalization should be remedied by economic improvements, good governance, job creation, and de-radicalization programs by government officials to aid mitigate the incidence of terrorism in the country.Keywords: Boko Haram, Ghana, Nigeria, terrorism
Procedia PDF Downloads 4201414 Quartz Crystal Microbalance Holder Design for On-Line Sensing in Liquid Applications
Authors: M. A. Amer, J. A. Chávez, M. J. García-Hernández, J. Salazar, A. Turó
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In this paper, the design of a QCM sensor for liquid media measurements in vertical position is described. A rugged and low-cost proof holder has been designed, the cost of which is significantly lower than those of traditional commercial holders. The crystal is not replaceable but it can be easily cleaned. Its small volume permits to be used by dipping it in the liquid with the desired location and orientation. The developed design has been experimentally validated by measuring changes in the resonance frequency and resistance of the QCM sensor immersed vertically in different calibrated aqueous glycerol solutions. The obtained results show a great agreement with the Kanazawa theoretical expression. Consequently, the designed QCM sensor would be appropriate for sensing applications in liquids, and might take part of a future on-line multichannel low-cost QCM-based measurement system.Keywords: holder design, liquid-media measurements, multi-channel measurements, QCM
Procedia PDF Downloads 3801413 Ab initio Simulation of Y2O3 -Doped Cerium Using Heyd–Scuseria–Ernzerhof HSE Hybrid Functional and DFT+U Approaches
Authors: M. Taibeche, L. Guerbous, M. Kechouane, R. Nedjar, T. Zergoug
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It is known that Y2O3 Material is the most important among the sesquioxides within the general class of refractory ceramics. Indeed, this compound has many applications such as sintering optical windows, components for rare-earth doped lasers as well as inorganic scintillators in the detection scintillation. In particular Eu2+ and Ce3+ are favored dopants in many the scintillators due to its allowed optical 5d-4f transition. In this work, we present new results concerning structural and electronic properties of Ce-doped Y2O3, investigated by density functional theory (DFT), using the Heyd–Scuseria–Ernzerhof (HSE) hybrid functional and DFT+U two approaches. When, we compared the results from the two methods we obtain a good agreement available experimental data. Furthermore, the effect of cerium on the material has also been studied and discussed in the same framework.Keywords: DFT, vienne ab initio simulation packages, scintillators, Heyd–Scuseria–Ernzerhof (HSE) hybrid functional
Procedia PDF Downloads 5111412 Computational Modeling of Combustion Wave in Nanoscale Thermite Reaction
Authors: Kyoungjin Kim
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Nanoscale thermites such as the composite mixture of nano-sized aluminum and molybdenum trioxide powders possess several technical advantages such as much higher reaction rate and shorter ignition delay, when compared to the conventional energetic formulations made of micron-sized metal and oxidizer particles. In this study, the self-propagation of combustion wave in compacted pellets of nanoscale thermite composites is modeled and computationally investigated by utilizing the activation energy reduction of aluminum particles due to nanoscale particle sizes. The present computational model predicts the speed of combustion wave propagation which is good agreement with the corresponding experiments of thermite reaction. Also, several characteristics of thermite reaction in nanoscale composites are discussed including the ignition delay and combustion wave structures.Keywords: nanoparticles, thermite reaction, combustion wave, numerical modeling
Procedia PDF Downloads 3771411 ANN Modeling for Cadmium Biosorption from Potable Water Using a Packed-Bed Column Process
Authors: Dariush Jafari, Seyed Ali Jafari
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The recommended limit for cadmium concentration in potable water is less than 0.005 mg/L. A continuous biosorption process using indigenous red seaweed, Gracilaria corticata, was performed to remove cadmium from the potable water. The process was conducted under fixed conditions and the breakthrough curves were achieved for three consecutive sorption-desorption cycles. A modeling based on Artificial Neural Network (ANN) was employed to fit the experimental breakthrough data. In addition, a simplified semi empirical model, Thomas, was employed for this purpose. It was found that ANN well described the experimental data (R2>0.99) while the Thomas prediction were a bit less successful with R2>0.97. The adjusted design parameters using the nonlinear form of Thomas model was in a good agreement with the experimentally obtained ones. The results approve the capability of ANN to predict the cadmium concentration in potable water.Keywords: ANN, biosorption, cadmium, packed-bed, potable water
Procedia PDF Downloads 4241410 Laminar Burning Velocity NH₃/H₂+Air Mixtures at Elevated Temperatures and Pressures
Authors: Talal Hasan, Akram Mohammad
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Carbon-free combustion has great attention in today’s research for its unlimited benefits regarding various factors, and ammonia is considered a potential carbon-free alternative gas despite its flame characteristics. The Shrestha mechanism and Chemkin-Pro software will be used for numerical data. Firstly, experimental and numerical results should show good agreement to move for studying the laminar flame speed of ammonia under various conditions. Ammonia flame speed will be investigated under normal conditions (298 K, 1 atm) as well as under the influence of a range of equivalence ratios (0.6-1.8), elevated temperatures (298,323,373,423, and 473), elevated pressures (1 atm- 70 atm) and finally at varying hydrogen content (0-100%). Therefore, this work will understand the ammonia laminar flame speed characteristics and how and to what extent hydrogen can improve ammonia combustion intensity.Keywords: laminar burning velocity, ammonia, hydrogen, combustion
Procedia PDF Downloads 1041409 Unbalanced Cylindrical Magnetron for Accelerating Cavities Coating
Authors: G. Rosaz, V. Semblanet, S. Calatroni, A. Sublet, M. Taborelli
Abstract:
We report in this paper the design and qualification of a cylindrical unbalanced magnetron source. The dedicated magnetic assemblies were simulated using a finite element model. A hall-effect magnetic probe was then used to characterize those assemblies and compared to the theoretical magnetic profiles. These show a good agreement between the expected and actual values. The qualification of the different magnetic assemblies was then performed by measuring the ion flux density reaching the surface of the sample to be coated using a commercial retarding field energy analyzer. The strongest unbalanced configuration shows an increase from 0.016 A.cm-2 to 0.074 A.cm-2 of the ion flux density reaching the sample surface compared to the standard balanced configuration for a pressure 5.10-3 mbar and a plasma source power of 300 W.Keywords: ion energy distribution function, magnetron sputtering, niobium, unbalanced, SRF cavities, thin film
Procedia PDF Downloads 249