Search results for: cohesive energies

Authors: Nodar Kekelidze, David Kekelidze, Elza Khutsishvili, Bela Kvirkvelia

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The semiconductor devices are irreplaceable elements for investigations in Space (artificial Earth satellite, interplanetary space craft, probes, rockets) and for investigation of elementary particles on accelerators, for atomic power stations, nuclear reactors, robots operating on heavily radiation contaminated territories (Chernobyl, Fukushima). Unfortunately, the most important parameters of semiconductors dramatically worsen under irradiation. So creation of radiation-resistant semiconductor materials for opto and microelectronic devices is actual problem, as well as investigation of complicated processes developed in irradiated solid states. Homogeneous single crystals of InP-InAs solid solutions were grown with zone melting method. There has been studied the dependence of the optical absorption coefficient vs photon energy near fundamental absorption edge. This dependence changes dramatically with irradiation. The experiments were performed on InP, InAs and InP-InAs solid solutions before and after irradiation with electrons and fast neutrons. The investigations of optical properties were carried out on infrared spectrophotometer in temperature range of 10K-300K and 1mkm-50mkm spectral area. Radiation fluencies of fast neutrons was equal to 2·1018neutron/cm2 and electrons with 3MeV, 50MeV up to fluxes of 6·1017electron/cm2. Under irradiation, there has been revealed the exponential type of the dependence of the optical absorption coefficient vs photon energy with energy deficiency. The indicated phenomenon takes place at high and low temperatures as well at impurity different concentration and practically in all cases of irradiation by various energy electrons and fast neutrons. We have developed the common mechanism of this phenomenon for unirradiated materials and implemented the quantitative calculations of distinctive parameter; this is in a satisfactory agreement with experimental data. For the irradiated crystals picture get complicated. In the work, the corresponding analysis is carried out. It has been shown, that in the case of InP, irradiated with electrons (Ф=1·1017el/cm2), the curve of optical absorption is shifted to lower energies. This is caused by appearance of the tails of density of states in forbidden band due to local fluctuations of ionized impurity (defect) concentration. Situation is more complicated in the case of InAs and for solid solutions with composition near to InAs when besides noticeable phenomenon there takes place Burstein effect caused by increase of electrons concentration as a result of irradiation. We have shown, that in certain conditions it is possible the prevalence of Burstein effect. This causes the opposite effect: the shift of the optical absorption edge to higher energies. So in given solid solutions there take place two different opposite directed processes. By selection of solid solutions composition and doping impurity we obtained such InP-InAs, solid solution in which under radiation mutual compensation of optical absorption curves displacement occurs. Obtained result let create on the base of InP-InAs, solid solution radiation-resistant optical materials. Conclusion: It was established the nature of optical absorption near fundamental edge in semiconductor materials and it was created radiation-resistant optical material.

Keywords: InAs-InP, electrons concentration, irradiation, solid solutions

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Authors: Fuad H. Veliev

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Negative pressure phenomenon appears in many thermodynamic, geophysical and biophysical processes in the Nature and technological systems. For more than 100 years of the laboratory researches beginning from F. M. Donny’s tests, the great values of negative pressure have been achieved. But this phenomenon has not been practically applied, being only a nice lab toy due to the special demands for the purity and homogeneity of the liquids for its appearance. The possibility of creation of direct wave of negative pressure in real heterogeneous liquid systems was confirmed experimentally under the certain kinetic and hydraulic conditions. The negative pressure can be considered as the factor of both useful and destroying energies. The new approach to generation of the negative pressure waves in impure, unclean fluids has allowed the creation of principally new energy saving technologies and installations to increase the effectiveness and efficiency of different production processes. It was proved that the negative pressure is one of the main factors causing hard troubles in some technological and natural processes. Received results emphasize the necessity to take into account the role of the negative pressure as an energy factor in evaluation of many transient thermohydrodynamic processes in the Nature and production systems.

Keywords: liquid systems, negative pressure, temperature, wave, metastable state

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Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

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The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G(d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G(d,p) method show good agreement with experimental X-ray data. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide, polarizability

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Authors: Azeez Shaik, Amit Salvi, B. P. Gautham

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Fiber reinforced polymer resin composite materials are finding wide variety of applications in automotive and aerospace industry because of their high specific stiffness and specific strengths when compared to metals. New class of 2D and 3D textile and woven fabric composites offer excellent fracture toughens as they bridge the cracks formed during fracture. Due to complexity of their fiber architectures and its resulting composite microstructures, optimized design and analysis of these structures is very complicated. A traditional homogenization approach is typically used to analyze structures made up of these materials. This approach usually fails to predict damage initiation as well as damage propagation and ultimate failure of structure made up of woven and textile composites. This study demonstrates a methodology to analyze woven and textile composites by using the multi-level multi-scale modelling approach. In this approach, a geometric repetitive unit cell (RUC) is developed with all its constituents to develop a representative volume element (RVE) with all its constituents and their interaction modeled correctly. The structure is modeled based on the RUC/RVE and analyzed at different length scales with desired levels of fidelity incorporating the damage and failure. The results are passed across (up and down) the scales qualitatively as well as quantitatively from the perspective of material, configuration and architecture.

Keywords: cohesive zone, multi-scale modeling, rate dependency, RUC, woven textiles

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Authors: Tathiana Yesenia Coy Mondragón, Jossitt William Vargas Cruz, Cristian Leonardo Gutiérrez Gómez

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The study of cosmic rays is based on two fundamental pillars: the detection of secondary cosmic rays on the Earth's surface and the detection of the source and origin of the cascade. In addition, the constant flow of RC generates a lot of interest for study due to the incidence of various natural phenomena, which makes it relevant to characterize their incidence parameters to determine their effect not only at subsoil or terrestrial surface levels but also throughout the atmosphere. To determine the physical parameters of the primary cosmic ray, the implementation of robust algorithms capable of reconstructing the cascade from the measured values is required, with a high level of reliability. Therefore, it is proposed to build a machine learning system that will be fed from the cosmic ray simulations in CORSIKA at different energies that lie in a range [10⁹-10¹²] eV. in order to generate a trained particle and pattern recognition system to obtain greater efficiency when inferring the nature of the origin of the cascade for EAS in the atmosphere considering atmospheric models.

Keywords: CORSIKA, cosmic rays, eas, Colombia

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Authors: N. Hatraf, L. Merabti, Z. Neffah, W. Taane

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The excessive consumption of fossil energies (electrical energy) during summer caused by the technological development involves more and more climate warming. In order to reduce the worst impact of gas emissions produced from classical air conditioning, heat driven solar absorption chiller is pretty promising; it consists on using solar as motive energy which is clean and environmentally friendly to provide cold. Solar absorption machine is composed by four components using Lithium Bromide /water as a refrigerating couple. LiBr- water is the most promising in chiller applications due to high safety, high volatility ratio, high affinity, high stability and its high latent heat. The lithium bromide solution is constitute by the salt lithium bromide which absorbs water under certain conditions of pressure and temperature however if the concentration of the solution is high in the absorption chillers; which exceed 70%, the solution will crystallize. The main aim of this article is to study the phenomena of the crystallization and to evaluate how the dependence between the electric conductivity and the concentration which should be controlled.

Keywords: absorption, crystallization, experimental results, lithium bromide solution

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Authors: Badr M. Alshammari, A. Rabeh, A. K. Mohamed

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This paper presents the modeling and the control of a grid-connected photovoltaic system (PVS). Firstly, the MPPT control of the PVS and its associated DC/DC converter has been analyzed in order to extract the maximum of available power. Secondly, the control system of the grid side converter (GSC) which is a three-phase voltage source inverter (VSI) has been presented. A special attention has been paid to the control algorithms of the GSC converter during grid voltages imbalances. Especially, three different control objectives are to achieve; the mitigation of the grid imbalance adverse effects, at the point of common coupling (PCC), on the injected currents, the elimination of double frequency oscillations in active power flow, and the elimination of double frequency oscillations in reactive power flow. Simulation results of two control strategies have been performed via MATLAB software in order to demonstrate the particularities of each control strategy according to power quality standards.

Keywords: renewable energies, photovoltaic systems, dc link, voltage source inverter, space vector SVPWM, unbalanced voltage dips, symmetrical components

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Authors: Hasnizan Aksah, Adi Irfan Che Ani

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Refurbished historic government buildings should perform as intended to support the organization’s goals that enhance occupant satisfaction. However, these buildings may have issues associated with functional performance evaluation. The aim of this study is to develop a Post Occupancy Evaluation (POE) sustainability assessment tool for functional performance evaluation of refurbished historic government buildings. Developing an assessment tool requires a strategic methodology for a logical and cohesive tool that incorporating relevant theories and practical experiences. In this study, mixed method approaches use to collect all necessary data to achieve the objectives of this study. The design of sampling involves are interviews and survey questionnaires to relevant professionals in order to evaluate the criteria and problem encircled in functional performance evaluation. Then, the involvement of expert panels is required in establishing the assessment tool. During the process of investigation on the functional performance criteria, it was discovered that is seen to be critical in aspects of comfort, safety, and services. The proposed assessment tool has a significant role in providing opportunities for the improvement of building performance especially on functional performance for the future historic government building refurbishment project. It is hoped that the tool developed from this study will give benefits to related professionals, public agencies, local municipality, and relevant interested parties in historic building management.

Keywords: refurbished historic government buildings, functional performance, Post Occupancy Evaluation, sustainability

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Authors: Ahmed H. Elkholy

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The concept of applying a prescribed oscillation to viscous fluids to aid or increase flow is used to produce a maintenance free pump. Application of this technique to fluids presents unique problems such as physical separation; control of heat and mass transfer in certain industrial applications; and improvement of some fluid process methods. The problem as stated is to obtain the velocity distribution, wall shear stress and energy expended when a pipe containing a stagnant viscous fluid is externally excited by a sinusoidal pulse, one end of the pipe being pinned. On the other hand, the effect of different parameters on the results are presented. Such parameters include fluid viscosity, frequency of oscillations and pipe geometry. It was found that the flow velocity through the pump is maximum at the pipe wall, and it decreases rapidly towards the pipe centerline. The frequency of oscillation should be above a certain value in order to obtain meaningful flow velocity. The amount of energy absorbed in the system is mainly due to pipe wall strain energy, while the fluid pressure and kinetic energies are comparatively small.

Keywords: sinusoidal excitation, pump, shear stress, flow

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Authors: Mohammad Reza Ghaani, Michele Catti

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The reduction of CoO/Fe₂O₃ oxides supported on carbon xerogels was studied to elucidate the effect of nano-size distribution of the catalyst in carbon matrices. Resorcinol formaldehyde xerogels were synthesized, impregnated with iron and cobalt nitrates, and subsequently heated to obtain the oxides. The mechanism of oxide reduction to metal was investigated by in-situ synchrotron X-ray diffraction in dynamic, non-isothermal conditions. Kinetic profiles of the reactions were obtained by plotting the diffraction intensities of selected Bragg peaks vs. temperature. The extracted Temperature-Programmed-Reduction (TPR) diagrams were analyzed by appropriate kinetic models, leading to best results with the Avrami-Erofeev model for all reduction reactions considered. The activation energies for the two-step reduction of iron oxide were 65 and 37 kJmol⁻¹, respectively. The average value for the reduction of CoO to Co was found to be around 21 kJ mol⁻¹. Such results may contribute to develop efficient and inexpensive non-noble metal-based catalysts in element form, e.g., Fe, Co, via heterogenization of metal complexes on mesoporous supports.

Keywords: non-isothermal kinetics, carbon aerogel, in-situ synchrotron X-ray diffraction, reduction mechanisms

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Authors: Zory Marantz

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Hybrid flexible (HyFlex) is a pedagogical methodology whereby an instructor delivers content in three modalities, i.e. live in-person (LIP), live online synchronous (LOS), and non-live online asynchronous (nLOaS). HyFlex is focused on providing the largest level of flexibility needed to achieve a cohesive environment across all modalities and incorporating four basic principles – learner’s choice, reusability, accessibility, and equivalency. Much literature has focused on the advantages of this methodology in providing students with the flexibility to choose their learning modality as best suits their schedules and learning styles. Initially geared toward graduate-level students, the concept has been applied to undergraduate studies, particularly during our national pedagogical response to the COVID19 pandemic. There is still little literature about the practicality and feasibility of HyFlex for hardware laboratory intensive engineering technology programs, particularly in dense, urban commuter institutions of higher learning. During a semester of engineering, a lab-based course was taught in the HyFlex modality, and students were asked to complete a survey about their experience. The data demonstrated that there is no single mode that is preferred by a majority of students and the usefulness of any modality is limited to how familiar the student and instructor are with the technology being applied. The technology is only as effective as our understanding and comfort with its functionality. For HyFlex to succeed in its implementation in an engineering technology environment within an urban commuter institution, faculty and students must be properly introduced to the technology being used.

Keywords: education, HyFlex, technology, urban, commuter, pedagogy

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Authors: Ennouri Triki, Toan Vu-Khanh

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Resistance to combined puncture/cutting by pointed blades is an important property of gloves materials. The purpose of this study is to propose an approach derived from the fracture mechanics theory to calculate the fracture energy associated to the puncture/cutting of nitrile rubber. The proposed approach is also based on the application of a sample pre-strained during the puncture/cutting test in order to remove the contribution of friction. It was validated with two different pointed blade angles of 22.5° and 35°. Results show that the applied total fracture energy corresponding to puncture/cutting is controlled by three energies, one is the fracture energy or the intrinsic strength of the material, the other reflects the friction energy between a pointed blade and the material. For an applied pre-strain energy (or tearing energy) of high value, the friction energy is completely removed. Without friction, the total fracture energy is constant. In that case, the fracture contribution of the tearing energy is marginal. Growth of the crack is thus completely caused by the puncture/cutting by a pointed blade. Finally, results suggest that the value of the fracture energy corresponding to puncture/cutting by pointed blades is obtained at a frictional contribution of zero.

Keywords: elastomer, energy, fracture, friction, pointed blades

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Authors: Morteza Aien, Masoud Rashidinejad, Mahmud Fotuhi-Firuzabad

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As energetic and environmental issues are getting more and more attention all around the world, the penetration of distributed energy resources (DERs) mainly those harvesting renewable energies (REs) ascends with an unprecedented rate. This matter causes more uncertainties to appear in the power system context; ergo, the uncertainty analysis of the system performance is an obligation. The uncertainties of any system can be represented probabilistically or possibilistically. Since sufficient historical data about all the system variables is not available, therefore, they do not have a probability density function (PDF) and must be represented possibilistiacally. When some of system uncertain variables are probabilistic and some are possibilistic, neither the conventional pure probabilistic nor pure possibilistic methods can be implemented. Hence, a combined solution is appealed. The first of this two-paper series formulates a new possibilistic-probabilistic tool for the load flow uncertainty assessment. The proposed methodology is based on the evidence theory and joint propagation of possibilistic and probabilistic uncertainties. This possibilistic- probabilistic formulation is solved in the second companion paper in an uncertain load flow (ULF) study problem.

Keywords: probabilistic uncertainty modeling, possibilistic uncertainty modeling, uncertain load flow, wind turbine generator

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Authors: Manh-Dung Ho, Van-Giap Pham, Van-Doanh Ho, Quang-Thien Tran, Tuan-Anh Tran

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The k0-factors and related nuclear data, i.e. the Q0-factors and effective resonance energies (Ēr) of the selected radionuclides which are used in the k0-based neutron activation analysis (k0-NAA), were critically reviewed to be integrated in the “k0-DALAT” software. The k0- and Q0-factors of some short-lived radionuclides: 46mSc, 110Ag, 116m2In, 165mDy, and 183mW, were experimentally determined at the Dalat research reactor. The other radionuclides selected are: 20F, 36S, 49Ca, 60mCo, 60Co, 75Se, 77mSe, 86mRb, 115Cd, 115mIn, 131Ba, 134mCs, 134Cs, 153Gd, 153Sm, 159Gd, 170Tm, 177mYb, 192Ir, 197mHg, 239U and 239Np. The reviewed data as compared with the literature data were biased within 5.6-7.3% in which the experimental re-determined factors were within 6.1 and 7.3%. The NIST standard reference materials: Oyster Tissue (1566b), Montana II Soil (2711a) and Coal Fly Ash (1633b) were used to validate the new reviewed data showing that the new data gave an improved k0-NAA using the “k0-DALAT” software with a factor of 4.5-6.8% for the investigated radionuclides.

Keywords: neutron activation analysis, k0-based method, k0 factor, Q0 factor, effective resonance energy

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Authors: Mohamad Saab, Sidi Souvi

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In a major nuclear accident, the released fission products (FPs) and the structural materials are likely to influence the transport of iodine in the reactor coolant system (RCS) of a pressurized water reactor (PWR). So far, the thermodynamic data on cesium and silver species used to estimate the magnitude of FP release show some discrepancies, data are scarce and not reliable. For this reason, it is crucial to review the thermodynamic values related to cesium and silver materials. To this end, we have used state-of-the-art quantum chemical methods to compute the formation enthalpies and entropies of AgHMoO₄, CsHMoO₄, and AgCsMoO₄ in the gas phase. Different quantum chemical methods have been investigated (DFT and CCSD(T)) in order to predict the geometrical parameters and the energetics including the correlation energy. The geometries were optimized with TPSSh-5%HF method, followed by a single point calculation of the total electronic energies using the CCSD(T) wave function method. We thus propose with a final uncertainty of about 2 kJmol⁻¹ standard enthalpies of formation of AgHMoO₄, CsHMoO₄, and AgCsMoO₄.

Keywords: nuclear accident, ASTEC code, thermochemical database, quantum chemical methods

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Authors: Can Yao, Chang Dong Sheng

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The heat released by wood pellets during storage will cause self-heating and even self-ignition. In this work, the heat release rates of pine, fir wood and mahogany pellets at 30–70℃ were measured by TAM air isothermal calorimeter, and the kinetic analysis was performed by iso-conversion ratio and non-steady-state methods to evaluate its self-heating potential. The results show that the reaction temperature can significantly affect the heat release rate. The higher the temperature, the greater the heat release rate. The heat release rates of different kinds of wood pellets are obviously different, and the order of the heat release rates for the three pellets at 70℃ is pine > fir wood > mahogany. The kinetic analysis of the iso-conversion ratio method indicates that the distribution of activation energy for pine, fir wood and mahogany pellets under the release of 0.1–1.0 J/g specific heat are 58–102 kJ/mol, 59–108 kJ/mol and 59–112 kJ/mol, respectively. Their activation energies obtained from the non-steady-state kinetic analysis are 13.43 kJ/mol, 19.19 kJ/mol and 21.09 kJ/mol, respectively. Both kinetic analyses show that the magnitude of self-heating risk for the three pellet fuels is pine pellets > fir wood pellets > mahogany pellets.

Keywords: isothermal calorimeter, kinetics, self-heating, wood pellets

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Authors: Charine Faith H. Lagrimas, Rommel N. Galvan, Rizalinda L. de Leon

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An ongoing study, methyl laurate to be used as a refrigerant in an HVAC system, requires the crystallization kinetics of the said substance. Step-wise and normal forms of Avrami model parameters were used to describe the isothermal crystallization kinetics of methyl laurate at different temperatures from Differential Scanning Calorimetry (DSC) measurements. At 3 °C, parameters showed that methyl laurate exhibits a secondary crystallization. The primary crystallization occurred with instantaneous nuclei and spherulitic growth; followed by a secondary instantaneous nucleation with a lower growth of dimensionality, rod-like. At 4 °C to 6 °C, the exotherms from DSC implied that the system was under the isokinetic range. The kinetics behavior is the same which is instantaneous nucleation with one-dimensional growth. The differences for the isokinetic range temperatures are the activation energies (directly proportional to T) and nucleation rates (inversely proportional to T). From the images obtained during the crystallization of methyl laurate using an optical microscope, it is confirmed that the nucleation and crystal growth modes obtained from the optical microscope are consistent with the parameters from Avrami model.

Keywords: Avrami model, isothermal crystallization, lipids kinetics, methyl laurate

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Authors: Amir Moslehi, Gholamreza Raisali

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Microdosimetric detectors based on multiple-thick gas electron multiplier (multiple-THGEM) configurations are being used in various fields of radiation protection and dosimetry. In the present work, microdosimetric response of these detectors to fast neutrons has been investigated by Monte Carlo method. Three similar microdosimeters made of A-150 and rexolite as the wall materials are designed; the first based on single-THGEM, the second based on double-THGEM and the third is based on triple-THGEM. Sensitive volume of the three microdosimeters is a right cylinder of 5 mm height and diameter which is filled with the propane-based tissue-equivalent (TE) gas. The TE gas with 0.11 atm pressure at the room temperature simulates 1 µm of tissue. Lineal energy distributions for several neutron energies from 10 keV to 14 MeV including 241Am-Be neutrons are calculated by the Geant4 simulation toolkit. Also, mean quality factor and dose-equivalent value for any neutron energy has been determined by these distributions. Obtained data derived from the three microdosimeters are in agreement. Therefore, we conclude that the multiple-THGEM structures present similar microdosimetric responses to fast neutrons.

Keywords: fast neutrons, geant4, multiple-thick gas electron multiplier, microdosimeter

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Authors: T. H. N. Nguyen, A. Khodan, M. Amamra, J-V. Vignes, A. Kanaev

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The ultraporous nanofibrous alumina (NOA, Al2O3·nH2O) was synthesized by oxidation of laminated aluminium plates through a liquid mercury-silver layer in a humid atmosphere ~80% at 25°C. The material has an extremely high purity (99%), porosity (90%) and specific area (300 m2/g). The subsequent annealing of raw NOA permits obtaining pure transition phase (γ and θ) nanostructured materials. In this combination, we report on chemical, structural and phase transformations of pure and modified NOA by an impregnation of trimethylethoxysilane (TMES) and tetraethoxysilane (TEOS) during thermal annealing in the temperature range between 20 and 1650°C. The mass density, specific area, average diameter and specific area are analysed. The 3D model of pure NOA monoliths and silica modified NOA is proposed, which successfully describes the evolution of specific area, mass density and phase transformations. Activation energies of the mass transport in two regimes of surface diffusion and bulk sintering were obtained based on this model. We conclude about a common origin of modifications of the NOA morphology, chemical composition and phase transition.

Keywords: nanostructured materials, alumina (Al₂O₃), morphology, phase transitions

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Authors: Md. Hasan Zahir

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Y2O3-doped silica membranes were synthesized with the sol-gel method by using a tetraethyl orthosilicate-derived sol mixed with yttrium nitrate hexahydrate. These solutions were used to fabricate hydrogen separation microporous membranes with a sandwich-type structure on γ-Al2O3 supported by tubular α-Al2O3. Pore size distribution measurements were conducted directly on the membranes before and after hydrothermal treatment with a nano-permporometer. The gas permeance properties of the membranes were measured in the temperature range 100–500°C. The Y-doped SiO2 membrane (Si/Y = 3/1) was found to exhibit asymptotically stable permeances of 2.39×10-7 mol m-2 s -1 Pa-1 for He and 6.19 ×10-10 mol m-2 s -1 Pa-1 for CO2, with a high selectivity of 386 (He/CO2) at 500°C for 20 h in the presence of steam. The Y-doped silica membranes exhibit very high gas permeances for molecules with smaller kinetic diameters. The apparent activation energies of the H2 permeance at 400°C were 24.2±0.2 and 21.3±0.7 kJ mol−1 for SiO2 and Si/Y, respectively. Very high permeances were obtained for N2 and O2, 2.2 and 5 × 10-8 mol m-2 s -1 Pa-1 respectively, which demonstrates that these materials are promising air purification and/or separation systems that block larger impurity molecules by molecular sieving effects. Y-doped SiO2 exhibits greater hydrothermal stability at high temperatures and higher selectivity than SiO2 membranes.

Keywords: ceramic membrane, gas separation, hydrothermal stability, rare earth doped-Silica

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Authors: Mohammedi Ferhate, Hakim Chadli, Laggoun Chaouki

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The main objectives of work in this area are, first, obtaining the high laser energies in short time durations needed for the feasibility studies of laser induced thermodynamically exothermic chemical reactions , second, investigating the physical principles that can be used to make laser sources capable of delivering high average powers. We note that, in order to reach both objectives, one has to convert electrical or chemical energy into laser energy, using dense gaseous media.. We present results from the early development of an F atom source appropriate for HF and DF chemical laser research. We next explain the very important difficulties encountered in working with dense gases for that purpose, and we shall describe how, especially at Evaluation of downstream-mixing scheme –levels transitions (001) → (100) and (001) → (020) gas dynamic laser The physical phenomena that control the operation of presently existing laser devices are now sufficiently well understood, so that it is possible to predict that new generations of lasers could be designed in the future. The proposed model of excitation and relaxation levels was finally proved by the computational numerical code of Matlab toolboxes of different parameters of nozzle.

Keywords: hydrogen, combust, chemical laser, halogen atom

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Authors: Miron A, Tadmor R, Pinkert S

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Soil contamination is a pressing environmental concern, drawing considerable focus due to its adverse ecological and health outcomes, and the frequent occurrence of contamination incidents in recent years. The interaction between the oil pollutant and the host soil can alter the mechanical properties of the soil in a manner that can crucially affect engineering challenges associated with the stability of soil systems. The geotechnical investigation of contaminated soils has gained momentum since the Gulf War in the 1990s, when a massive amount of oil was spilled into the ocean. Over recent years, various types of soil contaminations have been studied to understand the impact of pollution type, uncovering the mechanical complexity that arises not just from the pollutant type but also from the properties of the host soil and the interplay between them. This complexity is associated with diametrically opposite effects in different soil types. For instance, while certain oils may enhance the frictional properties of cohesive soils, they can reduce the friction in granular soils. This striking difference can be attributed to the different mechanisms at play: physico-chemical interactions predominate in the former case, whereas lubrication effects are more significant in the latter. this study introduces an empirical law designed to quantify the mechanical effect of oil contamination in granular soils, factoring the properties of both the contaminating oil and the host soil. This law is achieved by comprehensive experimental research that spans a wide array of oil types and soils with unique configurations and morphologies. By integrating these diverse data points, our law facilitates accurate predictions of how oil contamination modifies the frictional characteristics of general granular soils.

Keywords: contaminated soils, lubrication, friction, granular media

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Authors: Ande Nesmith

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There is an ongoing shortage of foster parents worldwide to take on a growing population of children in need of out-of-home care. Currently, resources are primarily aimed at recruitment rather than retention. Retention rates are extraordinarily low, especially in the first two years of fostering. Qualitative interviews with 19 foster parents averaging 20 years of service provided insight into the challenges they faced and how they overcame them. Thematic analysis of interview transcripts identified sources of stress and resiliency. Key stressors included lack of support and responsiveness from the children’s social workers, false maltreatment allegations, and secondary trauma from children’s destructive behaviors and emotional dysregulation. Resilient parents connected with other foster parents for support, engaged in creative problem-solving, recognized that positive feedback from children usually arrives years later, and through training, understood the neurobiological impact of trauma on child behavior. Recommendations include coordinating communication between the foster parent licensing agency social workers and the children’s social workers, creating foster parent support networks and mentoring, and continuous training on trauma including effective parenting strategies. Research is needed to determine whether these resilience indicators in fact lead to long-term retention. Policies should include a mechanism to develop a cohesive line of communication and connection between foster parents and the children’s social workers as well as their respective agencies.

Keywords: foster care stability, foster parent burnout, foster parent resiliency, foster parent retention, trauma-informed fostering

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Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui

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In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: DFT, ab initio, HOMO-LUMO, organic compounds

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Authors: A. Amar

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The angular distributions of the nuclear systems under consideration have been analyzed in the framework of the optical model (OM), where the real part was taken in the crystal model form. A crystal model (CM) has been applied to deuteron elastically scattered by ⁶,⁷Li and ⁹Be. A crystal model (CM) + distorted-wave Born approximation (DWBA) + dynamic polarization potential (DPP) potential has been applied to deuteron elastically scattered by ⁶,⁷Li and 9Be. Also, a crystal model has been applied to ⁶Li elastically scattered by ¹⁶O and ²⁸Sn in addition to the ⁷Li+⁷Li system and the ¹²C(alpha,⁸Be) ⁸Be reaction. The continuum-discretized coupled-channels (CDCC) method has been applied to the ⁷Li+⁷Li system and agreement between the crystal model and the continuum-discretized coupled-channels (CDCC) method has been observed. In general, the models succeeded in reproducing the differential cross sections at the full angular range and for all the energies under consideration.

Keywords: optical model (OM), crystal model (CM), distorted-wave born approximation (DWBA), dynamic polarization potential (DPP), the continuum-discretized coupled-channels (CDCC) method, and deuteron elastically scattered by ⁶, ⁷Li and ⁹Be

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Authors: Rajesh Kondareddy, Prakash Kumar Nayak, Maunash Das, Vrinatri Velentina Boro

Abstract:

Today, there is a huge global concern for sustainable development which would include minimizing the consumption of non-renewable energies without affecting the basic global economy. Solar drying is one of the important processes used for extending the shelf life of agricultural products. The performance of a low cost automated solar dryer fitted with cascade control scheme and modified PI controller for drying chilli was investigated. The dryer was composed of designed solar collector (air heater) fitted with cylindrical pipes to improve the air velocity and a solar drying chamber containing rack of two cheese cloth (net) trays both being integrated together. The air allowed in through air inlet is heated up in the solar collector and channelled through the drying chamber where it is utilized in drying (removing the moisture content from the food substance or agricultural produce loaded). Here, to maintain the temperature in the heating chambers and to improve performance, a modified PI (Proportional–Integral) controller was used due its simplicity and robustness. Drying time for drying chilli from the initial moisture content of 88.5% (wb) to 7.3% (wb) was estimated to be 14 hours in solar dryer whereas 32 h was observed in the open sun drying.

Keywords: cascade control, chilli, PI controller, solar dryer

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Authors: U. L. Fulco, E. L. Albuquerque, José X. Lima Neto, L. R. Da Silva

Abstract:

The binding of the nonsteroidal anti-inflammatory drug ibuprofen (IBU) to human serum albumin (HSA) is investigated using density functional theory (DFT) calculations within a fragmentation strategy. Crystallographic data for the IBU–HSA supramolecular complex shows that the ligand is confined to a large cavity at the subdomain IIIA and at the interface between the subdomains IIA and IIB, whose binding sites are FA3/FA4 and FA6, respectively. The interaction energy between the IBU molecule and each amino acid residue of these HSA binding pockets was calculated using the Molecular Fractionation with Conjugate Caps (MFCC) approach employing a dispersion corrected exchange–correlation functional. Our investigation shows that the total interaction energy of IBU bound to HSA at binding sites of the fatty acids FA3/FA4 (FA6) converges only for a pocket radius of at least 8.5 °A, mainly due to the action of residues Arg410, Lys414 and Ser489 (Lys351, Ser480 and Leu481) and residues in nonhydrophobic domains, namely Ile388, Phe395, Phe403, Leu407, Leu430, Val433, and Leu453 (Phe206, Ala210, Ala213, and Leu327), which is unusual. Our simulations are valuable for a better understanding of the binding mechanism of IBU to albumin and can lead to the rational design and the development of novel IBU-derived drugs with improved potency.

Keywords: ibuprofen, human serum albumin, density functional theory, binding energies

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Authors: Muhammad Abdullah, Salman Iqbal, Mamoona Rasheed

Abstract:

Social identity among people is an important source of pride and self-esteem, consequently, people struggle to preserve a positive perception of their groups and collectives. The purpose of this paper is to explain the process of social identification and to highlight the underlying causal factors of social identity among employees. There is a little research about how the social identity of employees is shaped in Pakistan’s organizational culture. This study is based on social identity theory. This study uses Systems’ approach as a research methodology. The feedback loop approach is applied to explain the underlying key elements of employee behavior that collectively form social identity among social groups in corporate arena. The findings of this study reveal that effective, evaluative and cognitive components of an individual’s personality are associated with the social identification. The system dynamic feedback loop approach has revealed the underlying structure that is associated with social identity, social group formation, and effective component proved to be the most associated factor. This may also enable to understand how social groups become stable and individuals act according to the group requirements. The value of this paper lies in the understanding gained about the underlying key factors that play a crucial role in social group formation in organizations. It may help to understand the rationale behind how employees socially categorize themselves within organizations. It may also help to design effective and more cohesive teams for better operations and long-term results. This may help to share knowledge among employees as well. The underlying structure behind the social identification is highlighted with the help of system modeling.

Keywords: affective commitment, cognitive commitment, evaluated commitment, system thinking

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Authors: Fariba Ebrahimi, Mehdi Ghorbani

Abstract:

Comprehensive water management considers economic, environmental, technical and social sustainability of water resources for future generations. Integrated water management implies cooperative approach and involves all stakeholders and also introduces issues to managers and decision makers. Solving these issues needs integrated and system approach according to the recognition of actors or key persons in necessary to apply cooperative management of water resources. Therefore, social network analysis can be used to demonstrate the most effective actors for environmental base decisions. The linkage of diverse sets of actors and knowledge systems across management levels and institutional boundaries often poses one of the greatest challenges in adaptive water management. Bridging stakeholder can facilitate interactions among actors in management settings by lowering the transaction costs of collaboration. This research examines how network connections between group members affect in co- management. Cohesive network structures allow groups to more effectively achieve their goals and objectives Strong; centralized leadership is a better predictor of working group success in achieving goals and objectives. Finally, geometric position of each actor was illustrated in the network. The results of the research based on between centrality index have a key and bridging actor in recognition of cooperative management of water resources in Darbandsar village and also will help managers and planners of water in the case of recognition to organization and implementation of sustainable management of water resources and water security.

Keywords: co-management, water management, social network, bridging stakeholder, darbandsar village

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Authors: Hammed Tanimowo Aiyelabegan, Oluchukwu Franklin Aladi, Mutiu Adewumi Alabi, Raliat Abimbola Aladodo, Emmanuel Oladipupo Ajani, Abdulganiyu Giwa, Esther Owolabi

Abstract:

The study aimed to evaluate the inhibitory activities of ligands from Enantia chlorantha stem bark on α-amylase and α-glucosidase. In silico pharmacokinetic properties and docking scores were employed to analyse the inhibition using SwissADME and Autodock4.2, respectively. Results revealed that drug-likeness, pharmacokinetics and bioavailability radar of all the ligands except jatrorrhizine and acarbose falls within the radar according to the Lipinski rule of 5. The binding energies of the protein-ligand interactions also show that the ligand fits into the active site. The results obtained from this study show that the chemical constituents from Enantia chlorantha stem bark may bring about positive physiological changes in a patient suffering from diabetes mellitus. Further in vitro studies on diabetes cell lines and in vivo studies on the animal may validate these compounds for diabetes treatment. These phytoconstituents could help in the development of novel anti-diabetic molecules.

Keywords: diabetes mellitus, ?-amylase, ?-glucosidase, in silico, Enantia chlorantha stem bark

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