Search results for: clean energies
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1152

Search results for: clean energies

852 Production of Geopolymers for Structural Applications from Fluidized Bed Combustion Bottom Ash

Authors: Thapelo Aubrey Motsieng

Abstract:

Fluidized bed combustion (FBC) is a clean coal technology used in the combustion of low-grade coals for power generation. The production of large solid wastes such as bottom ashes from this process is a problem. The bottom ash contains some toxic elements which can leach out soils and contaminate surface and ground water; for this reason, they can neither be disposed of in landfills nor lagoons anymore. The production of geopolymers from bottom ash for structural and concrete applications is an option for their disposal. In this study, the waste bottom ash obtained from the combustion of three low grade South African coals in a bubbling fluidized bed reactor was used to produce geopolymers. The geopolymers were cured in a household microwave. The results showed that the microwave curing enhanced the reactivity and strength of the geopolymers.

Keywords: bottom ash, geopolymers, coal, compressive strength

Procedia PDF Downloads 321
851 Computational Approaches for Ballistic Impact Response of Stainless Steel 304

Authors: A. Mostafa

Abstract:

This paper presents a numerical study on determination of ballistic limit velocity (V50) of stainless steel 304 (SS 304) used in manufacturing security screens. The simulated ballistic impact tests were conducted on clamped sheets with different thicknesses using ABAQUS/Explicit nonlinear finite element (FE) package. The ballistic limit velocity was determined using three approaches, namely: numerical tests based on material properties, FE calculated residual velocities and FE calculated residual energies. Johnson-Cook plasticity and failure criterion were utilized to simulate the dynamic behaviour of the SS 304 under various strain rates, while the well-known Lambert-Jonas equation was used for the data regression for the residual velocity and energy model. Good agreement between the investigated numerical methods was achieved. Additionally, the dependence of the ballistic limit velocity on the sheet thickness was observed. The proposed approaches present viable and cost-effective assessment methods of the ballistic performance of SS 304, which will support the development of robust security screen systems.

Keywords: ballistic velocity, stainless steel, numerical approaches, security screen

Procedia PDF Downloads 163
850 Overview of Different Approaches Used in Optimal Operation Control of Hybrid Renewable Energy Systems

Authors: K. Kusakana

Abstract:

A hybrid energy system is a combination of renewable energy sources with back up, as well as a storage system used to respond to given load energy requirements. Given that the electrical output of each renewable source is fluctuating with changes in weather conditions, and since the load demand also varies with time; one of the main attributes of hybrid systems is to be able to respond to the load demand at any time by optimally controlling each energy source, storage and back-up system. The induced optimization problem is to compute the optimal operation control of the system with the aim of minimizing operation costs while efficiently and reliably responding to the load energy requirement. Current optimization research and development on hybrid systems are mainly focusing on the sizing aspect. Thus, the aim of this paper is to report on the state-of-the-art of optimal operation control of hybrid renewable energy systems. This paper also discusses different challenges encountered, as well as future developments that can help in improving the optimal operation control of hybrid renewable energy systems.

Keywords: renewable energies, hybrid systems, optimization, operation control

Procedia PDF Downloads 379
849 Origin of Hydrogen Bonding: Natural Bond Orbital Electron Donor-Acceptor Interactions

Authors: Mohamed Ayoub

Abstract:

We perform computational investigation using density functional theory, B3LYP with aug-cc-pVTZ basis set followed by natural bond orbital analysis (NBO), which provides best single “natural Lewis structure” (NLS) representation of chosen wavefunction (Ψ) with natural resonance theory (NRT) to provide an analysis of molecular electron density in terms of resonance structures (RS) and weights (w). We selected for the study a wide range of gas phase dimers (B…HA), with hydrogen bond dissociation energies (ΔEB…H) that span more than two orders of magnitude. We demonstrate that charge transfer from a donor Lewis-type NBO (nB:) to an acceptor non-Lewis-type NBO (σHA*) is the primary cause for H-bonding not classical electrostatic (dipole-dipole or ionic). We provide a variety of structure, and spectroscopic descriptors to support the conclusion, such as IR frequency shift (ΔνHA), H-bond penetration distance (ΔRB..H), bond order (bB..H), charge-transfer (CTB→HA) and the corresponding donor-acceptor stabilization energy (ΔE(2)).

Keywords: natural bond orbital, hydrogen bonding, electron donor, electron acceptor

Procedia PDF Downloads 436
848 Single Pass Design of Genetic Circuits Using Absolute Binding Free Energy Measurements and Dimensionless Analysis

Authors: Iman Farasat, Howard M. Salis

Abstract:

Engineered genetic circuits reprogram cellular behavior to act as living computers with applications in detecting cancer, creating self-controlling artificial tissues, and dynamically regulating metabolic pathways. Phenemenological models are often used to simulate and design genetic circuit behavior towards a desired behavior. While such models assume that each circuit component’s function is modular and independent, even small changes in a circuit (e.g. a new promoter, a change in transcription factor expression level, or even a new media) can have significant effects on the circuit’s function. Here, we use statistical thermodynamics to account for the several factors that control transcriptional regulation in bacteria, and experimentally demonstrate the model’s accuracy across 825 measurements in several genetic contexts and hosts. We then employ our first principles model to design, experimentally construct, and characterize a family of signal amplifying genetic circuits (genetic OpAmps) that expand the dynamic range of cell sensors. To develop these models, we needed a new approach to measuring the in vivo binding free energies of transcription factors (TFs), a key ingredient of statistical thermodynamic models of gene regulation. We developed a new high-throughput assay to measure RNA polymerase and TF binding free energies, requiring the construction and characterization of only a few constructs and data analysis (Figure 1A). We experimentally verified the assay on 6 TetR-homolog repressors and a CRISPR/dCas9 guide RNA. We found that our binding free energy measurements quantitatively explains why changing TF expression levels alters circuit function. Altogether, by combining these measurements with our biophysical model of translation (the RBS Calculator) as well as other measurements (Figure 1B), our model can account for changes in TF binding sites, TF expression levels, circuit copy number, host genome size, and host growth rate (Figure 1C). Model predictions correctly accounted for how these 8 factors control a promoter’s transcription rate (Figure 1D). Using the model, we developed a design framework for engineering multi-promoter genetic circuits that greatly reduces the number of degrees of freedom (8 factors per promoter) to a single dimensionless unit. We propose the Ptashne (Pt) number to encapsulate the 8 co-dependent factors that control transcriptional regulation into a single number. Therefore, a single number controls a promoter’s output rather than these 8 co-dependent factors, and designing a genetic circuit with N promoters requires specification of only N Pt numbers. We demonstrate how to design genetic circuits in Pt number space by constructing and characterizing 15 2-repressor OpAmp circuits that act as signal amplifiers when within an optimal Pt region. We experimentally show that OpAmp circuits using different TFs and TF expression levels will only amplify the dynamic range of input signals when their corresponding Pt numbers are within the optimal region. Thus, the use of the Pt number greatly simplifies the genetic circuit design, particularly important as circuits employ more TFs to perform increasingly complex functions.

Keywords: transcription factor, synthetic biology, genetic circuit, biophysical model, binding energy measurement

Procedia PDF Downloads 473
847 The Influences of Facies and Fine Kaolinite Formation Migration on Sandstones’ Reservoir Quality, Sarir Formation, Sirt Basin Libya

Authors: Faraj M. Elkhatri, Hana Ali Alafi

Abstract:

The spatial and temporal distribution of diagenetic alterations related impact on the reservoir quality of the Sarir Formation. (present-day burial depth of about 9000 feet) Depositional facies and diagenetic alterations are the main controls on reservoir quality of Sarir Formation Sirt Basin Libya; these based on lithology and grain size as well as authigenic clay mineral types and their distributions. However, petrology investigation obtained on study area with five sandstone wells concentrated on main rock components and the parameters that may have impacts on reservoirs. the main authigenic clay minerals are kaolinite and dickite, these investigations have confirmed by X.R.D analysis and clay fraction. mainly Kaolinite and Dickite were extensively presented on all of wells with high amounts. As well as trace of detrital smectite and less amounts of illitized mud-matrix are possibly found by SEM image. Thin layers of clay presented as clay-grain coatings in local depth interpreted as remains of dissolved clay matrix is partly transformed into kaolinite adjacent and towards pore throat. This also may have impacts on most of the pore throats of this sandstone which are open and relatively clean with some of fine martial have been formed on occluded pores. This material is identified by EDS analysis to be collections of not only kaolinite booklets but also small disaggregated kaolinite platelets derived from the disaggregation of larger kaolinite booklets. These patches of kaolinite not only fill this pore, but also coat some of the surrounding framework grains. Quartz grains often enlarged by authigenic quartz overgrowths partially occlude and reduce porosity. Scanning Electron Microscopy with Energy Dispersive Spectroscopy (SEM) was conducted on the post-test samples to examine any mud filtrate particles that may be in the pore throats. Semi-qualitative elemental data on selected minerals observed during the SEM study were obtained through the use of an Energy Dispersive Spectroscopy (EDS) unit. The samples showed mostly clean open pore throats, with limited occlusion by kaolinite. very fine-grained elemental combinations (Si/Al/Na/Cl, Si/Al Ca/Cl/Ti, and Qtz/Ti) have been identified and conformed by EDS analysis. However, the identification of the fine grained disaggregated material as mainly kaolinite though study area.

Keywords: fine migration, formation damage, kaolinite, soled bulging.

Procedia PDF Downloads 72
846 Theoretical and Experimental Study on the NO Reduction by H₂ over Char Decorated with Ni at low Temperatures

Authors: Kaixuan Feng, Ruixiang Lin, Yuyan Hu, Yuheng Feng, Dezhen Chen, Tongcheng Cao

Abstract:

In this study, we propose a reaction system for the low-temperature reduction of NO by H₂ on carbon-based materials decorated with 5%wt. Ni. This cost-effective catalyst system efficiently utilizes pyrolysis carbon-based materials and waste hydrogen. Additionally, it yields environmentally friendly products without requiring extra heat sources in practical SCR devices. Density functional theory elucidates the mechanism of NO heterogeneous reduction by H₂ on Ni-decorated char surfaces. Two distinct reaction paths were identified, one involving the intermediate product N₂O and the other not. These pathways exhibit different rate-determination steps and activation energies. Kinetic analysis indicates that the N₂O byproduct pathway has a lower activation energy. Experimental results corroborate the theoretical findings. Thus, this research enhances our mechanistic understanding of the NO-H₂ reaction over char and offers insights for optimizing catalyst design in low-temperature NO reduction.

Keywords: char-based catalysis, NO reduction, DFT study, heterogeneous reaction, low-temperature H₂-reduction

Procedia PDF Downloads 79
845 A 'Four Method Framework' for Fighting Software Architecture Erosion

Authors: Sundus Ayyaz, Saad Rehman, Usman Qamar

Abstract:

Software Architecture is the basic structure of software that states the development and advancement of a software system. Software architecture is also considered as a significant tool for the construction of high quality software systems. A clean design leads to the control, value and beauty of software resulting in its longer life while a bad design is the cause of architectural erosion where a software evolution completely fails. This paper discusses the occurrence of software architecture erosion and presents a set of methods for the detection, declaration and prevention of architecture erosion. The causes and symptoms of architecture erosion are observed with the examples of prescriptive and descriptive architectures and the practices used to stop this erosion are also discussed by considering different types of software erosion and their affects. Consequently finding and devising the most suitable approach for fighting software architecture erosion and in some way reducing its affect is evaluated and tested on different scenarios.

Keywords: software architecture, architecture erosion, prescriptive architecture, descriptive architecture

Procedia PDF Downloads 500
844 Effect of MPPT and THD in Grid-Connected Photovoltaic System

Authors: Sajjad Yahaghifar

Abstract:

From the end of the last century, the importance and use of renewable energy sources have gained prominence, due not only by the fossil fuels dependence reduction, but mainly by environmental reasons related to climate change and the effects to the humanity. Consequently, solar energy has been arousing interest in several countries for being a technology considered clean, with reduced environmental impact. The output power of photo voltaic (PV) arrays is always changing with weather conditions,i.e., solar irradiation and atmospheric temperature. Therefore, maximum power point tracking (MPPT) control to extract maximum power from the PV arrays at real time becomes indispensable in PV generation system. This paper Study MPPT and total harmonic distortion (THD) in the city of Tabriz, Iran with the grid-connected PV system as distributed generation.

Keywords: MPPT, THD, grid-connected, PV system

Procedia PDF Downloads 398
843 Passive Solar Distiller with Low Cost of Implementation, Operation and Maintenance

Authors: Valentina Alessandra Carvalho do Vale, Elmo Thiago Lins Cöuras Ford, Rudson de Sousa Lima

Abstract:

Around the planet Earth, access to clean water is a problem whose importance has increased due to population growth and its misuse. Thus, projects that seek to transform water sources improper (salty and brackish) in drinking water sources are current issues. However, this transformation generally requires a high cost of implementation, operation and maintenance. In this context, the aim of this work is the development of a passive solar distiller for brackish water, made from recycled and durable materials such as aluminum, cement, glass and PVC basins. The results reveal factors that influence the performance and viability of the expansion project.

Keywords: solar distiller, passive distiller, distiller with pyramidal roof, ecologically correct

Procedia PDF Downloads 413
842 The Influences of Facies and Fine Kaolinite Formation Migration on Sandstone's Reservoir Quality, Sarir Formation, Sirt Basin Libya

Authors: Faraj M. Elkhatri

Abstract:

The spatial and temporal distribution of diagenetic alterations related impact on the reservoir quality of the Sarir Formation. ( present day burial depth of about 9000 feet) Depositional facies and diagenetic alterations are the main controls on reservoir quality of Sarir Formation Sirt Basin Libya; these based on lithology and grain size as well as authigenic clay mineral types and their distributions. However, petrology investigation obtained on study area with five sandstone wells concentrated on main rock components and the parameters that may have impacts on reservoirs. the main authigenic clay minerals are kaolinite and dickite, these investigations have confirmed by X.R.D analysis and clay fraction. mainly Kaolinite and Dickite were extensively presented on all of wells with high amounts. As well as trace of detrital smectite and less amounts of illitized mud-matrix are possibly find by SEM image. Thin layers of clay presented as clay-grain coatings in local depth interpreted as remains of dissolved clay matrix is partly transformed into kaolinite adjacent and towards pore throat. This also may have impacts on most of the pore throats of this sandstone which are open and relatively clean with some fine martial have been formed on occluded pores. This material is identified by EDS analysis to be collections of not only kaolinite booklets but also small disaggregated kaolinite platelets derived from the disaggregation of larger kaolinite booklets. These patches of kaolinite not only fill this pore but also coat some of the surrounding framework grains. Quartz grains often enlarged by authigenic quartz overgrowths partially occlude and reduce porosity. Scanning Electron Microscopy with Energy Dispersive Spectroscopy (SEM) was conducted on the post-test samples to examine any mud filtrate particles that may be in the pore throats. Semi-qualitative elemental data on selected minerals observed during the SEM study were obtained through the use of an Energy Dispersive Spectroscopy (EDS) unit. The samples showed mostly clean open pore throats with limited occlusion by kaolinite. very fine-grained elemental combinations (Si/Al/Na/Cl, Si/Al Ca/Cl/Ti, and Qtz/Ti) have been identified and conformed by EDS analysis. However, the identification of the fine grained disaggregated material as mainly kaolinite though study area.

Keywords: pore throat, fine migration, formation damage, solids plugging, porosity loss

Procedia PDF Downloads 152
841 Similarity of the Disposition of the Electrostatic Potential of Tetrazole and Carboxylic Group to Investigate Their Bioisosteric Relationship

Authors: Alya A. Arabi

Abstract:

Bioisosteres are functional groups that can be interchangeably used without affecting the potency of the drug. Bioisosteres have similar pharmacological properties. Bioisosterism is useful for modifying the physicochemical properties of a drug while obeying the Lipinski’s rules. Bioisosteres are key in optimizing the pharmacokinetic and pharmacodynamics properties of a drug. Tetrazole and carboxylate anions are non-classic bioisosteres. Density functional theory was used to obtain the wavefunction of the molecules and the optimized geometries. The quantum theory of atoms in molecules (QTAIM) was used to uncover the similarity of the average electron density in tetrazole and carboxylate anions. This similarity between the bioisosteres capped by a methyl group was valid despite the fact that the groups have different volumes, charges, energies, or electron populations. The biochemical correspondence of tetrazole and carboxylic acid was also determined to be a result of the similarity of the topography of the electrostatic potential (ESP). The ESP demonstrates the pharmacological and biochemical resemblance for a matching “key-and-lock” interaction.

Keywords: bioisosteres, carboxylic acid, density functional theory, electrostatic potential, tetrazole

Procedia PDF Downloads 434
840 Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability, Hyperpolarizability, and HOMO–LUMO Analysis of Monomeric and Dimeric Structures of N-(2-Methylphenyl)-2-Nitrobenzenesulfonamide

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

Abstract:

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 xperimental X-ray data. The polarizability and first order hyperpolarizabilty 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

Procedia PDF Downloads 549
839 Opto-Electronic Study of the Silicon Nitride Doped Cerium Thin Films Deposed by Evaporation

Authors: Bekhedda Kheira

Abstract:

Rare earth-doped luminescent materials (Ce, Eu, Yb, Tb, etc.) are now widely used in flat-screen displays, fluorescent lamps, and photovoltaic solar cells. They exhibit several fine emission bands in a spectral range from near UV to infrared when added to inorganic materials. This study chose cerium oxide (CeO2) because of its exceptional intrinsic properties, energy levels, and ease of implementation of doped layer synthesis. In this study, thin films were obtained by the evaporation deposition technique of cerium oxide (CeO2) on silicon Nitride (SiNx) layers and then annealing under nitrogen N2. The characterization of these films was carried out by different techniques, scanning electron microscopy (SEM) to visualize morphological properties and (EDS) was used to determine the elemental composition of individual dots, optical analysis characterization of thin films was studied by a spectrophotometer in reflectance mode to determine different energies gap of the nanostructured layers and to adjust these values for the photovoltaic application.

Keywords: thin films, photovoltaic, rare earth, evaporation

Procedia PDF Downloads 88
838 Radioactive Contamination by ¹³⁷Cs in Marine Sediments Taken up from Cuba's North and South Coast

Authors: Marisé García Batlle, Juan Manuel Navarrete Tejero

Abstract:

In aquatic ecosystems, the main indicators of pollution are contaminated sediments, which are the primary repository of radionuclides and chemicals elements in the marine environment. Radioactive Contamination Factor (RCF) has been proposed as a suitable unit to measure the magnitude of radioactive contamination at global scale, caused mainly by more than 2,000 nuclear explosions tests performed during the 1945-65 period. It is obtained as percentage of contaminant radioactivity (¹³⁷Cs) compared to natural radioactivity (⁴⁰K), both expressed in Bq/g of marine sediments conditioned in Marinelli containers and detected in both NaI(Tl) and HPGe detectors. So, in this paper samples of marine sediments were taken up along the occidental Cuban coasts and analyzed by gamma spectrometry for the determination of gamma-emitting radioisotopes with energies between 60 and 2000 keV. The results proved that the proposed method is simple and suitable to evaluated radioactive contamination. Also, the RCF values provide an appropriate indicator to predict which pollution levels in the future will be and if the rate will go down as disintegrates the ¹³⁷Cs present when only 2,4 half-lives have passed away.

Keywords: Cuba, gamma spectrometry, marine sediments, radioactive pollution

Procedia PDF Downloads 212
837 Numerical Investigation of Multiphase Flow Structure for the Flue Gas Desulfurization

Authors: Cheng-Jui Li, Chien-Chou Tseng

Abstract:

This study adopts Computational Fluid Dynamics (CFD) technique to build the multiphase flow numerical model where the interface between the flue gas and desulfurization liquid can be traced by Eulerian-Eulerian model. Inside the tower, the contact of the desulfurization liquid flow from the spray nozzles and flue gas flow can trigger chemical reactions to remove the sulfur dioxide from the exhaust gas. From experimental observations of the industrial scale plant, the desulfurization mechanism depends on the mixing level between the flue gas and the desulfurization liquid. In order to significantly improve the desulfurization efficiency, the mixing efficiency and the residence time can be increased by perforated sieve trays. Hence, the purpose of this research is to investigate the flow structure of sieve trays for the flue gas desulfurization by numerical simulation. In this study, there is an outlet at the top of FGD tower to discharge the clean gas and the FGD tower has a deep tank at the bottom, which is used to collect the slurry liquid. In the major desulfurization zone, the desulfurization liquid and flue gas have a complex mixing flow. Because there are four perforated plates in the major desulfurization zone, which spaced 0.4m from each other, and the spray array is placed above the top sieve tray, which includes 33 nozzles. Each nozzle injects desulfurization liquid that consists of the Mg(OH)2 solution. On each sieve tray, the outside diameter, the hole diameter, and the porosity are 0.6m, 20 mm and 34.3%. The flue gas flows into the FGD tower from the space between the major desulfurization zone and the deep tank can finally become clean. The desulfurization liquid and the liquid slurry goes to the bottom tank and is discharged as waste. When the desulfurization solution flow impacts the sieve tray, the downward momentum will be converted to the upper surface of the sieve tray. As a result, a thin liquid layer can be developed above the sieve tray, which is the so-called the slurry layer. And the volume fraction value within the slurry layer is around 0.3~0.7. Therefore, the liquid phase can't be considered as a discrete phase under the Eulerian-Lagrangian framework. Besides, there is a liquid column through the sieve trays. The downward liquid column becomes narrow as it interacts with the upward gas flow. After the flue gas flows into the major desulfurization zone, the flow direction of the flue gas is upward (+y) in the tube between the liquid column and the solid boundary of the FGD tower. As a result, the flue gas near the liquid column may be rolled down to slurry layer, which developed a vortex or a circulation zone between any two sieve trays. The vortex structure between two sieve trays results in a sufficient large two-phase contact area. It also increases the number of times that the flue gas interacts with the desulfurization liquid. On the other hand, the sieve trays improve the two-phase mixing, which may improve the SO2 removal efficiency.

Keywords: Computational Fluid Dynamics (CFD), Eulerian-Eulerian Model, Flue Gas Desulfurization (FGD), perforated sieve tray

Procedia PDF Downloads 284
836 Potential Distribution and Electric Field Analysis around a Polluted Outdoor Polymeric Insulator with Broken Sheds

Authors: Adel Kara, Abdelhafid Bayadi, Hocine Terrab

Abstract:

This paper presents a study of electric field distribution along of 72 kV polymeric outdoor insulators with broken sheds. Different cases of damaged insulators are modeled and both of clean and polluted cases. By 3D finite element analysis using the software package COMSOL Multiphysics 4.3b. The obtained results of potential and the electrical field distribution around insulators by 3D simulation proved that finite element computations is useful tool for studying insulation electrical field distribution.

Keywords: electric field distributions, insulator, broken sheds, potential distributions

Procedia PDF Downloads 512
835 The Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability Hyperpolarizability, and Homo–Lumo Analysis of Monomeric and Dimeric Structures of 2-Chloro-N-(2 Methylphenyl) Benzamide

Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

Abstract:

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 shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty 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 09 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 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

Procedia PDF Downloads 339
834 Electronic Properties Study of Ni/MgO Nanoparticles by X-Ray Photoemission Spectroscopy (XPS)

Authors: Ouafek Nora, Keghouche Nassira, Dehdouh Heider, Untidt Carlos

Abstract:

A lot of knowledge has been accumulated on the metal clusters supported on oxide surfaces because of their multiple applications in microelectronics, heterogeneous catalysis, and magnetic devices. In this work, the surface state of Ni / MgO has been studied by XPS (X-ray Photoemission Spectroscopy). The samples were prepared by impregnation with ion exchange Ni²⁺ / MgO, followed by either a thermal treatment in air (T = 100 -350 ° C) or a gamma irradiation (dose 100 kGy, 25 kGy dose rate h -1). The obtained samples are named after impregnation NMI, NMR after irradiation, and finally NMC(T) after calcination at the temperature T (T = 100-600 °C). A structural study by XRD and HRTEM reveals the presence of nanoscaled Ni-Mg intermetallic phases (Mg₂Ni, MgNi₂, and Mg₆Ni) and magnesium hydroxide. Mg(OH)₂ in nanometric range (2- 4 nm). Mg-Ni compounds are of great interest in energy fields (hydrogen storage…). XPS spectra show two Ni2p peaks at energies of about 856.1 and 861.9 eV, indicating that the nickel is primarily in an oxidized state on the surface. The shift of the main peak relative to the pure NiO (856.1 instead of 854.0 eV) suggests that in addition to oxygen, nickel is engaged in another link with magnesium. This is in agreement with the O1s spectra which present an overlap of peaks corresponds to NiO and MgO, at a calcination temperature T ≤ 300 °C.

Keywords: XPS, XRD, nanoparticules, Ni-MgO

Procedia PDF Downloads 209
833 Evaluation of a Hybrid Configuration for Active Space Radiation Bio-Shielding

Authors: Jiahui Song, Ravindra P. Joshi

Abstract:

One of the biggest obstacles to human space exploration of the solar system is the risk posed by prolonged exposure to space radiation. It is generally agreed that particles with energies around 1-2 GeV per nucleon are the most damaging to humans. Passive shielding techniques entail using solid material to create a shield that prevents particles from penetrating a given region by absorbing the energy of incident particles. Previous techniques resulted in adding ‘dead mass’ to spacecraft, which is not an economically viable solution. Additionally, collisions of the incoming ionized particles with traditional passive protective material lead to secondary radiation. This study develops an enhanced hybrid active space radiation bio-shielding concept, a combination of the electrostatic and magnetostatic shielding, by varying the size of the magnetic ring, and by having multiple current-carrying rings, to mitigate the biohazards of severe space radiation for the success of deep-space explorations. The simulation results show an unprecedented reduction of 1GeV GCR (Galactic Cosmic Rays) proton transmission to about 15%.

Keywords: bio-shielding, electrostatic, magnetostatic, radiation

Procedia PDF Downloads 394
832 Peculiarities of Absorption near the Edge of the Fundamental Band of Irradiated InAs-InP Solid Solutions

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

Abstract:

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

Procedia PDF Downloads 201
831 Negative Pressure Waves in Hydraulic Systems

Authors: Fuad H. Veliev

Abstract:

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

Procedia PDF Downloads 416
830 The Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability, Hyperpolarizability, and HOMO–LUMO Analysis of Monomeric and Dimeric Structures of N-(2-Methylphenyl)-2-Nitrobenzenesulfonamide

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

Abstract:

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

Procedia PDF Downloads 325
829 Microwave Production of Geopolymers Using Fluidized Bed Combustion Bottom Ash

Authors: Osholana Tobi Stephen, Rotimi Emmanuel Sadiku, Bilainu Oboirien.o

Abstract:

Fluidized bed combustion (FBC) is a clean coal technology used in the combustion of low-grade coals for power generation. The production of large solid wastes such as bottom ashes from this process is a problem. The bottom ash contains some toxic elements which can leach out soils and contaminate surface and ground water; for this reason, they can neither be disposed in landfills nor lagoons anymore. The production of geopolymers from bottom ash for structural and concrete applications is an option for their disposal. In this study, the waste bottom ash obtained from the combustion of three low grade South African coals in a bubbling fluidized bed reactor was used to produce geopolymers. The geopolymers were cured in a household microwave. The results showed that the microwave curing enhanced the reactivity and strength of the geopolymers.

Keywords: bottom ash, coal, fluidized bed combustion (FBC) geopolymer, compressive strength

Procedia PDF Downloads 315
828 Synthesis and Characterization of High-Aspect-Ratio Hematite Nanostructures for Solar Water Splitting

Authors: Paula Quiterio, Arlete Apolinario, Celia T. Sousa, Joao Azevedo, Paula Dias, Adelio Mendes, Joao P. Araujo

Abstract:

Nowadays one of the mankind's greatest challenges has been the supply of low-cost and environmentally friendly energy sources as an alternative to non-renewable fossil fuels. Hydrogen has been considered a promising solution, representing a clean and low-cost fuel. It can be produced directly from clean and abundant resources, such as sunlight and water, using photoelectrochemical cells (PECs), in a process that mimics the nature´s photosynthesis. Hematite (alpha-Fe2O3) has attracted considerable attention as a promising photoanode for solar water splitting, due to its high chemical stability, nontoxicity, availability and low band gap (2.2 eV), which allows reaching a high thermodynamic solar-to-hydrogen efficiency of 16.8 %. However, the main drawbacks of hematite such as the short hole diffusion length and the poor conductivity that lead to high electron-hole recombination result in significant PEC efficiency losses. One strategy to overcome these limitations and to increase the PEC efficiency is to use 1D nanostructures, such as nanotubes (NTs) and nanowires (NWs), which present high aspect ratios and large surface areas providing direct pathways for electron transport up to the charge collector and minimizing the recombination losses. In particular, due to the ultrathin walls of the NTs, the holes can reach the surface faster than in other nanostructures, representing a key factor for the NTs photoresponse. In this work, we prepared hematite NWs and NTs, respectively by hydrothermal process and electrochemical anodization. For hematite NWs growing, we studied the effect of variable hydrothermal conditions, different annealing temperatures and time, and the use of Ti and Sn dopants on the morphology and PEC performance. The crystalline phase characterization by X-ray diffraction was crucial to distinguish the formation of hematite and other iron oxide phases, alongside its effect on the photoanodes conductivity and consequent PEC efficiency. The conductivity of the as-prepared NWs is very low, in the order of 10-5 S cm-1, but after doping and annealing optimization it increased by a factor of 105. A high photocurrent density of 1.02 mA cm-2 at 1.45 VRHE was obtained under simulated sunlight, which is a very promising value for this kind of hematite nanostructures. The stability of the photoelectrodes was also tested, presenting good stability after several J-V measurements over time. The NTs, synthesized by fast anodizations with potentials ranging from 20-100 V, presented a linear growth of the NTs pore walls, with very low thicknesses from 10 - 18 nm. These preliminary results are also very promising for the use of hematite photoelectrodes on PEC hydrogen applications.

Keywords: hematite, nanotubes, nanowires, photoelectrochemical cells

Procedia PDF Downloads 229
827 Study of Atmospheric Cascades Generated by Primary Comic Rays, from Simulations in Corsika for the City of Tunja in Colombia

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

Abstract:

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

Procedia PDF Downloads 80
826 Development of Non-Intrusive Speech Evaluation Measure Using S-Transform and Light-Gbm

Authors: Tusar Kanti Dash, Ganapati Panda

Abstract:

The evaluation of speech quality and intelligence is critical to the overall effectiveness of the Speech Enhancement Algorithms. Several intrusive and non-intrusive measures are employed to calculate these parameters. Non-Intrusive Evaluation is most challenging as, very often, the reference clean speech data is not available. In this paper, a novel non-intrusive speech evaluation measure is proposed using audio features derived from the Stockwell transform. These features are used with the Light Gradient Boosting Machine for the effective prediction of speech quality and intelligibility. The proposed model is analyzed using noisy and reverberant speech from four databases, and the results are compared with the standard Intrusive Evaluation Measures. It is observed from the comparative analysis that the proposed model is performing better than the standard Non-Intrusive models.

Keywords: non-Intrusive speech evaluation, S-transform, light GBM, speech quality, and intelligibility

Procedia PDF Downloads 259
825 Anti-Money Laundering and Countering of Terrorist Financing: The Role of Domestic Financial Institutions to Prevent Money Laundering

Authors: Dinesh Sivaguru, Kamal Thilakasiri

Abstract:

Preventing money laundering and terrorist financing is a major national and international problem today. Several attempts have been made to prevent money laundering by national and international dimension. These are often counteracted by the multi dynamic nature of the crimes. However, launders are often to use remittance systems to clean their ill-gotten money. This study presents the role of domestic financial institutions and the effective practices and actions should implement within domestic financial institutions to control and prevent financial crimes. This thesis highlights the progress that is required to prevent money laundering and terrorist financing, further it is an original contribution to the knowledge in an under researched field in Sri Lanka.

Keywords: money laundering, terrorists financing, financial institutions, regulatory bodies

Procedia PDF Downloads 229
824 Investigating the Effects of Hydrogen on Wet Cement for Underground Hydrogen Storage Applications in Oil and Gas Wells

Authors: Hamoud Al-Hadrami, Hossein Emadi, Athar Hussain

Abstract:

Green hydrogen is quickly emerging as a new source of renewable energy for the world. Hydrogen production using water electrolysis is deemed as an environmentally friendly and safe source of energy for transportation and other industries. However, storing a high volume of hydrogen seems to be a significant challenge. Abandoned hydrocarbon reservoirs are considered as viable hydrogen storage options because of the availability of the required infrastructure such as wells and surface facilities. However, long-term wellbore integrity in these wells could be a serious challenge. Hydrogen reduces the compressive strength of a set cement if it gets in contact with the cement slurry. Also, mixing hydrogen with cement slurry slightly increases its density and rheological properties, which need to be considered to have a successful primary cementing operation.

Keywords: hydrogen, well bore integrity, clean energy, cementing

Procedia PDF Downloads 213
823 Interfacing Photovoltaic Systems to the Utility Grid: A Comparative Simulation Study to Mitigate the Impact of Unbalanced Voltage Dips

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

Abstract:

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

Procedia PDF Downloads 377