Search results for: charge transfer complexes
2157 Effects of Radiation on Mixed Convection in Power Law Fluids along Vertical Wedge Embedded in a Saturated Porous Medium under Prescribed Surface Heat Flux Condition
Authors: Qaisar Ali, Waqar A. Khan, Shafiq R. Qureshi
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Heat transfer in Power Law Fluids across cylindrical surfaces has copious engineering applications. These applications comprises of areas such as underwater pollution, bio medical engineering, filtration systems, chemical, petroleum, polymer, food processing, recovery of geothermal energy, crude oil extraction, pharmaceutical and thermal energy storage. The quantum of research work with diversified conditions to study the effects of combined heat transfer and fluid flow across porous media has increased considerably over last few decades. The most non-Newtonian fluids of practical interest are highly viscous and therefore are often processed in the laminar flow regime. Several studies have been performed to investigate the effects of free and mixed convection in Newtonian fluids along vertical and horizontal cylinder embedded in a saturated porous medium, whereas very few analysis have been performed on Power law fluids along wedge. In this study, boundary layer analysis under the effects of radiation-mixed convection in power law fluids along vertical wedge in porous medium have been investigated using an implicit finite difference method (Keller box method). Steady, 2-D laminar flow has been considered under prescribed surface heat flux condition. Darcy, Boussinesq and Roseland approximations are assumed to be valid. Neglecting viscous dissipation effects and the radiate heat flux in the flow direction, the boundary layer equations governing mixed convection flow over a vertical wedge are transformed into dimensionless form. The single mathematical model represents the case for vertical wedge, cone and plate by introducing the geometry parameter. Both similar and Non- similar solutions have been obtained and results for Non similar case have been presented/ plotted. Effects of radiation parameter, variable heat flux parameter, wedge angle parameter ‘m’ and mixed convection parameter have been studied for both Newtonian and Non-Newtonian fluids. The results are also compared with the available data for the analysis of heat transfer in the prescribed range of parameters and found in good agreement. Results for the details of dimensionless local Nusselt number, temperature and velocity fields have also been presented for both Newtonian and Non-Newtonian fluids. Analysis of data revealed that as the radiation parameter or wedge angle is increased, the Nusselt number decreases whereas it increases with increase in the value of heat flux parameter at a given value of mixed convection parameter. Also, it is observed that as viscosity increases, the skin friction co-efficient increases which tends to reduce the velocity. Moreover, pseudo plastic fluids are more heat conductive than Newtonian and dilatant fluids respectively. All fluids behave identically in pure forced convection domain.Keywords: porous medium, power law fluids, surface heat flux, vertical wedge
Procedia PDF Downloads 3122156 Selectivity Mechanism of Cobalt Precipitation by an Imidazole Linker From an Old Battery Solution
Authors: Anna-Caroline Lavergne-Bril, Jean-François Colin, David Peralta, Pascale Maldivi
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Cobalt is a critical material, widely used in Li-ion batteries. Due to the planned electrification of European vehicles, cobalt needs are expending – and resources are limited. To meet the needs in cobalt to come, it is necessary to develop new efficient ways to recycle cobalt. One of the biggest sources comes from old electrical vehicles batteries (batteries sold in 2019: 500 000 tons of waste to be). A closed loop process of cobalt recycling has been developed and this presentation aims to present the selectivity mechanism of cobalt over manganese and nickel in solution. Cobalt precipitation as a ZIF material (Zeolitic Imidazolate framework) from a starting solution composed of equimolar nickel, manganese and cobalt is studied. A 2-MeIm (2-methylimidazole) linker is introduced in a multimetallic Ni, Mn, Co solution and the resulting ZIF-67 is 100% pure Co among its metallic centers. Selectivity of Co over Ni is experimentally studied and DFT modelisation calculation are conducted to understand the geometry of ligand-metal-solvent complexes in solution. Selectivity of Co over Mn is experimentally studied, and DFT modelisation calcucation are conducted to understand the link between pKa of the ligand and precipitration of Mn impurities within the final material. Those calculation open the way to other ligand being used in the same process, with more efficiency. Experimental material are synthetized from bimetallic (Ni²⁺/Co²⁺, Mn²⁺/Co²⁺, Mn²⁺/Ni²⁺) solutions. Their crystallographic structure is analysed by XRD diffraction (Brüker AXS D8 diffractometer, Cu anticathode). Morphology is studied by scanning electron microscopy, using a LEO 1530 FE-SEM microscope. The chemical analysis is performed by using ICP-OES (Agilent Technologies 700 series ICP-OES). Modelisation calculation are DFT calculation (density functional theory), using B3LYP, conducted with Orca 4.2.Keywords: MOFs, ZIFs, recycling, closed-loop, cobalt, li-ion batteries
Procedia PDF Downloads 1372155 Optimal Sizes of Energy Storage for Economic Operation Management
Authors: Rohalla Moghimi, Sirus Mohammadi
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Batteries for storage of electricity from solar and wind generation farms are a key element in the success of sustainability. In recent years, due to large integration of Renewable Energy Sources (RESs) like wind turbine and photovoltaic unit into the Micro-Grid (MG), the necessity of Battery Energy Storage (BES) has increased dramatically. The BES has several benefits and advantages in the MG-based applications such as short term power supply, power quality improvement, facilitating integration of RES, ancillary service and arbitrage. This paper presents the cost-based formulation to determine the optimal size of the BES in the operation management of MG. Also, some restrictions, i.e. power capacity of Distributed Generators (DGs), power and energy capacity of BES, charge/discharge efficiency of BES, operating reserve and load demand satisfaction should be considered as well. In this paper, a methodology is proposed for the optimal allocation and economic analysis of ESS in MGs on the basis of net present value (NPV). As the optimal operation of an MG strongly depends on the arrangement and allocation of its ESS, economic operation strategies and optimal allocation methods of the ESS devices are required for the MG.Keywords: microgrid, energy storage system, optimal sizing, net present value
Procedia PDF Downloads 5562154 Modeling and Design of a Solar Thermal Open Volumetric Air Receiver
Authors: Piyush Sharma, Laltu Chandra, P. S. Ghoshdastidar, Rajiv Shekhar
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Metals processing operations such as melting and heat treatment of metals are energy-intensive, requiring temperatures greater than 500oC. The desired temperature in these industrial furnaces is attained by circulating electrically-heated air. In most of these furnaces, electricity produced from captive coal-based thermal power plants is used. Solar thermal energy could be a viable heat source in these furnaces. A retrofitted solar convective furnace (SCF) concept, which uses solar thermal generated hot air, has been proposed. Critical to the success of a SCF is the design of an open volumetric air receiver (OVAR), which can heat air in excess of 800oC. The OVAR is placed on top of a tower and receives concentrated solar radiation from a heliostat field. Absorbers, mixer assembly, and the return air flow chamber (RAFC) are the major components of an OVAR. The absorber is a porous structure that transfers heat from concentrated solar radiation to ambient air, referred to as primary air. The mixer ensures uniform air temperature at the receiver exit. Flow of the relatively cooler return air in the RAFC ensures that the absorbers do not fail by overheating. In an earlier publication, the detailed design basis, fabrication, and characterization of a 2 kWth open volumetric air receiver (OVAR) based laboratory solar air tower simulator was presented. Development of an experimentally-validated, CFD based mathematical model which can ultimately be used for the design and scale-up of an OVAR has been the major objective of this investigation. In contrast to the published literature, where flow and heat transfer have been modeled primarily in a single absorber module, the present study has modeled the entire receiver assembly, including the RAFC. Flow and heat transfer calculations have been carried out in ANSYS using the LTNE model. The complex return air flow pattern in the RAFC requires complicated meshes and is computational and time intensive. Hence a simple, realistic 1-D mathematical model, which circumvents the need for carrying out detailed flow and heat transfer calculations, has also been proposed. Several important results have emerged from this investigation. Circumferential electrical heating of absorbers can mimic frontal heating by concentrated solar radiation reasonably well in testing and characterizing the performance of an OVAR. Circumferential heating, therefore, obviates the need for expensive high solar concentration simulators. Predictions suggest that the ratio of power on aperture (POA) and mass flow rate of air (MFR) is a normalizing parameter for characterizing the thermal performance of an OVAR. Increasing POA/MFR increases the maximum temperature of air, but decreases the thermal efficiency of an OVAR. Predictions of the 1-D mathematical are within 5% of ANSYS predictions and computation time is reduced from ~ 5 hours to a few seconds.Keywords: absorbers, mixer assembly, open volumetric air receiver, return air flow chamber, solar thermal energy
Procedia PDF Downloads 1972153 Effects of Adding Sodium Nitroprusside in Semen Diluents on Motility, Viability and Lipid Peroxidation of Sperm of Holstein Bulls
Authors: Leila Karshenas, Hamid Reza Khodaei, Behnaz Mahdavi
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We know that nitric oxide (NO) plays an important role in all sexual activities of animals. It is made in body from NO synthase enzyme and L-arginin molecule. NO can bound with sulfur-iron complexes and because production of steroid sexual hormones is related to enzymes which have this complex, NO can change the activity of these enzymes. NO affects many cells including endothelial cells of veins, macrophages and mast cells. These cells are found in testis leydig cells and therefore are important source of NO in testis tissue. Minimizing damages to sperm at the time of sperm freezing and thawing is really important. The goal of this study was to determine the function of NO before freezing and its effects on quality and viability of sperms after thawing and incubation. 4 Holstein bulls were selected from the age of 4, and artificial insemination was done for 3 weeks (2 times a week). Treatments were 0, 10, 50 and 100 nm of sodium nitroprusside (SNP). Data analysis was performed by SAS98 program. Also, mean comparison was done using Duncan's multiple ranges test (P<0.05). Concentrations used was found to increase motility and viability of spermatozoa at 1, 2 and 3 hours after thawing significantly (P<0.05), but there was no significant difference at zero time. SNP levels reduced the amount of lipid peroxidation in sperm membrane, increased acrosome health and improved sample membranes especially in 50 and 100 nm treatments. According to results, adding SNP to semen diluents increases motility and viability of spermatozoa. Also, it reduces lipid peroxidation in sperm membrane and improves sperm function.Keywords: sperm motility, nitric oxide, lipid peroxidation, spermatozoa
Procedia PDF Downloads 3612152 CFD Study for Normal and Rifled Tube with a Convergence Check
Authors: Sharfi Dirar, Shihab Elhaj, Ahmed El Fatih
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Computational fluid dynamics were used to simulate and study the heated water boiler tube for both normal and rifled tube with a refinement of the mesh to check the convergence. The operation condition was taken from GARRI power station and used in a boundary condition accordingly. The result indicates the rifled tube has higher heat transfer efficiency than the normal tube.Keywords: boiler tube, convergence check, normal tube, rifled tube
Procedia PDF Downloads 3342151 Optimal Placement and Sizing of Energy Storage System in Distribution Network with Photovoltaic Based Distributed Generation Using Improved Firefly Algorithms
Authors: Ling Ai Wong, Hussain Shareef, Azah Mohamed, Ahmad Asrul Ibrahim
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The installation of photovoltaic based distributed generation (PVDG) in active distribution system can lead to voltage fluctuation due to the intermittent and unpredictable PVDG output power. This paper presented a method in mitigating the voltage rise by optimally locating and sizing the battery energy storage system (BESS) in PVDG integrated distribution network. The improved firefly algorithm is used to perform optimal placement and sizing. Three objective functions are presented considering the voltage deviation and BESS off-time with state of charge as the constraint. The performance of the proposed method is compared with another optimization method such as the original firefly algorithm and gravitational search algorithm. Simulation results show that the proposed optimum BESS location and size improve the voltage stability.Keywords: BESS, firefly algorithm, PVDG, voltage fluctuation
Procedia PDF Downloads 3212150 Similitude for Thermal Scale-up of a Multiphase Thermolysis Reactor in the Cu-Cl Cycle of a Hydrogen Production
Authors: Mohammed W. Abdulrahman
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The thermochemical copper-chlorine (Cu-Cl) cycle is considered as a sustainable and efficient technology for a hydrogen production, when linked with clean-energy systems such as nuclear reactors or solar thermal plants. In the Cu-Cl cycle, water is decomposed thermally into hydrogen and oxygen through a series of intermediate reactions. This paper investigates the thermal scale up analysis of the three phase oxygen production reactor in the Cu-Cl cycle, where the reaction is endothermic and the temperature is about 530 oC. The paper focuses on examining the size and number of oxygen reactors required to provide enough heat input for different rates of hydrogen production. The type of the multiphase reactor used in this paper is the continuous stirred tank reactor (CSTR) that is heated by a half pipe jacket. The thermal resistance of each section in the jacketed reactor system is studied to examine its effect on the heat balance of the reactor. It is found that the dominant contribution to the system thermal resistance is from the reactor wall. In the analysis, the Cu-Cl cycle is assumed to be driven by a nuclear reactor where two types of nuclear reactors are examined as the heat source to the oxygen reactor. These types are the CANDU Super Critical Water Reactor (CANDU-SCWR) and High Temperature Gas Reactor (HTGR). It is concluded that a better heat transfer rate has to be provided for CANDU-SCWR by 3-4 times than HTGR. The effect of the reactor aspect ratio is also examined in this paper and is found that increasing the aspect ratio decreases the number of reactors and the rate of decrease in the number of reactors decreases by increasing the aspect ratio. Finally, a comparison between the results of heat balance and existing results of mass balance is performed and is found that the size of the oxygen reactor is dominated by the heat balance rather than the material balance.Keywords: sustainable energy, clean energy, Cu-Cl cycle, heat transfer, hydrogen, oxygen
Procedia PDF Downloads 2962149 Replacing MOSFETs with Single Electron Transistors (SET) to Reduce Power Consumption of an Inverter Circuit
Authors: Ahmed Shariful Alam, Abu Hena M. Mustafa Kamal, M. Abdul Rahman, M. Nasmus Sakib Khan Shabbir, Atiqul Islam
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According to the rules of quantum mechanics there is a non-vanishing probability of for an electron to tunnel through a thin insulating barrier or a thin capacitor which is not possible according to the laws of classical physics. Tunneling of electron through a thin insulating barrier or tunnel junction is a random event and the magnitude of current flowing due to the tunneling of electron is very low. As the current flowing through a Single Electron Transistor (SET) is the result of electron tunneling through tunnel junctions of its source and drain the supply voltage requirement is also very low. As a result, the power consumption across a Single Electron Transistor is ultra-low in comparison to that of a MOSFET. In this paper simulations have been done with PSPICE for an inverter built with both SETs and MOSFETs. 35mV supply voltage was used for a SET built inverter circuit and the supply voltage used for a CMOS inverter was 3.5V.Keywords: ITRS, enhancement type MOSFET, island, DC analysis, transient analysis, power consumption, background charge co-tunneling
Procedia PDF Downloads 5262148 A Simulation Study of Direct Injection Compressed Natural Gas Spark Ignition Engine Performance Utilizing Turbulent Jet Ignition with Controlled Air Charge
Authors: Siyamak Ziyaei, Siti Khalijah Mazlan, Petros Lappas
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Compressed Natural Gas (CNG) mainly consists of Methane CH₄ and has a low carbon to hydrogen ratio relative to other hydrocarbons. As a result, it has the potential to reduce CO₂ emissions by more than 20% relative to conventional fuels like diesel or gasoline Although Natural Gas (NG) has environmental advantages compared to other hydrocarbon fuels whether they are gaseous or liquid, its main component, CH₄, burns at a slower rate than conventional fuels A higher pressure and a leaner cylinder environment will overemphasize slow burn characteristic of CH₄. Lean combustion and high compression ratios are well-known methods for increasing the efficiency of internal combustion engines. In order to achieve successful CNG lean combustion in Spark Ignition (SI) engines, a strong ignition system is essential to avoid engine misfires, especially in ultra-lean conditions. Turbulent Jet Ignition (TJI) is an ignition system that employs a pre-combustion chamber to ignite the lean fuel mixture in the main combustion chamber using a fraction of the total fuel per cycle. TJI enables ultra-lean combustion by providing distributed ignition sites through orifices. The fast burn rate provided by TJI enables the ordinary SI engine to be comparable to other combustion systems such as Homogeneous Charge Compression Ignition (HCCI) or Controlled Auto-Ignition (CAI) in terms of thermal efficiency, through the increased levels of dilution without the need of sophisticated control systems. Due to the physical geometry of TJIs, which contain small orifices that connect the prechamber to the main chamber, scavenging is one of the main factors that reduce TJI performance. Specifically, providing the right mixture of fuel and air has been identified as a key challenge. The reason for this is the insufficient amount of air that is pushed into the pre-chamber during each compression stroke. There is also the problem that combustion residual gases such as CO₂, CO and NOx from the previous combustion cycle dilute the pre- chamber fuel-air mixture preventing rapid combustion in the pre-chamber. An air-controlled active TJI is presented in this paper in order to address these issues. By applying air to the pre-chamber at a sufficient pressure, residual gases are exhausted, and the air-fuel ratio is controlled within the pre-chamber, thereby improving the quality of combustion. This paper investigates the 3D-simulated combustion characteristics of a Direct Injected (DI-CNG) fuelled SI en- gine with a pre-chamber equipped with an air channel by using AVL FIRE software. Experiments and simulations were performed at the Worldwide Mapping Point (WWMP) at 1500 Revolutions Per Minute (RPM), 3.3 bar Indicated Mean Effective Pressure (IMEP), using only conventional spark plugs as the baseline. After validating simulation data, baseline engine conditions were set for all simulation scenarios at λ=1. Following that, the pre-chambers with and without an auxiliary fuel supply were simulated. In the simulated (DI-CNG) SI engine, active TJI was observed to perform better than passive TJI and spark plug. In conclusion, the active pre-chamber with an air channel demon-strated an improved thermal efficiency (ηth) over other counterparts and conventional spark ignition systems.Keywords: turbulent jet ignition, active air control turbulent jet ignition, pre-chamber ignition system, active and passive pre-chamber, thermal efficiency, methane combustion, internal combustion engine combustion emissions
Procedia PDF Downloads 872147 Design Intervention to Achieve Space Efficiency for Commercial Interiors
Authors: Hari Krishna Ayyappa, Reenu Singh
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Rising population and restricted land for development has led towards the growth of vertical buildings and small complexes. It provides many possibilities to change the shape and size of internal space in addition to the social impacts on the commercial spaces. With the increased volatility of necessities of people, the need for mental and physical comfort has continuously increased. . Living in a small space musts minimalist and space- saving cabinetwork results to sustain mortal good. This paper attempts to explore the Influence of Using Minimalist Furniture on the Efficiency of the commercial Space interiors by means of the variable resulting from preceding studies based on literature. A literature review was conducted on research articles to understand the contributing variables in a well designed small commercial spaces. A questionnaire survey was conducted to understand the layout of small commercial spaces with respect to Environmental impact, material, Design elements, Modern approach, Layered lightings, and colours. The problem of small spaces can be resolved by some ways; it's still needed for cabinetwork to develop to be more innovative to accommodate small living spaces. Since cabinetwork is a necessity and not luxury, everybody is in need of it. The spatial factors affecting overall satisfaction at a detailed position were bandied. The variable helped in proposing design ideation and mock ups to explore improved interiors. This paper concludes that most of the principles of the minimalist approach have been overlooked at, which had an impact on the space efficiency in commercial spaces like storage rooms, office area, retail stores, restaurants, and other spaces where business is conducted.Keywords: materials, modern approach, space efficiency, tall commercial buildings
Procedia PDF Downloads 1102146 Geographical Parthenogenesis in Plants
Authors: Elvira Hörandl
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The term “Geographical parthenogenesis” describes the phenomenon that asexual organisms usually occupy larger and more northern distribution areas than their sexual relatives and tend to colonize previously glaciated areas. Several case studies in flowering plants confirm the geographical pattern, but the causal factors behind the phenomenon are still unclear. Previous authors regarded predominant polyploidy in asexual (apomictic) plants as the main factor. However, the geographical pattern is not the rule for sexual polyploids. Recent research confirmed a previous hypothesis of the author that a combination of factors is acting: Although uniparental reproduction provides better colonization abilities, it is most efficient in combination with polyploidy. I will present results on case studies in the genus Ranunculus of both autopolyploid and allopolyploid species and species complexes reproducing via facultative apomixis. Polyploidy seems to contribute mainly to a better tolerance of colder climates and temperate extremes, whereby epigenetic flexibility, changes in gene expression, and phenotypic plasticity play an important role in occupying ecological niches under harsh conditions. Phylogenomic studies entangle complex hybrid origins of asexual taxa, which increases intragenomic heterozygosity of asexual plants. Interestingly, our results suggest an association of sexuality with abiotic stresses, specifically with light stress, which might explain that still, most plants in high altitudes and in southern areas retain sexual reproduction despite other climatic conditions that would favor apomictic plants. We conclude that geographical parthenogenesis results from the complex interplay of the genomic constitution, mode of reproduction and environmental factors.Keywords: apomixis, polyploidy, hybridization, abiotic stress, epigenetics, phylogenomics
Procedia PDF Downloads 752145 Electronics Thermal Management Driven Design of an IP65-Rated Motor Inverter
Authors: Sachin Kamble, Raghothama Anekal, Shivakumar Bhavi
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Thermal management of electronic components packaged inside an IP65 rated enclosure is of prime importance in industrial applications. Electrical enclosure protects the multiple board configurations such as inverter, power, controller board components, busbars, and various power dissipating components from harsh environments. Industrial environments often experience relatively warm ambient conditions, and the electronic components housed in the enclosure dissipate heat, due to which the enclosures and the components require thermal management as well as reduction of internal ambient temperatures. Design of Experiments based thermal simulation approach with MOSFET arrangement, Heat sink design, Enclosure Volume, Copper and Aluminum Spreader, Power density, and Printed Circuit Board (PCB) type were considered to optimize air temperature inside the IP65 enclosure to ensure conducive operating temperature for controller board and electronic components through the different modes of heat transfer viz. conduction, natural convection and radiation using Ansys ICEPAK. MOSFET’s with the parallel arrangement, IP65 enclosure molded heat sink with rectangular fins on both enclosures, specific enclosure volume to satisfy the power density, Copper spreader to conduct heat to the enclosure, optimized power density value and selecting Aluminum clad PCB which improves the heat transfer were the contributors towards achieving a conducive operating temperature inside the IP-65 rated Motor Inverter enclosure. A reduction of 52 ℃ was achieved in internal ambient temperature inside the IP65 enclosure between baseline and final design parameters, which met the operative temperature requirements of the electronic components inside the IP-65 rated Motor Inverter.Keywords: Ansys ICEPAK, aluminium clad PCB, IP 65 enclosure, motor inverter, thermal simulation
Procedia PDF Downloads 1222144 Articulating Competencies Confidently: Employability in the Curriculum
Authors: Chris Procter
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There is a significant debate on the role of University education in developing or teaching employability skills. Should higher education attempt to do this? Is it the best place? Is it able to do so? Different views abound, but the question is wrongly posed – one of the reasons that previous employability initiatives foundered (e.g., in the UK). Our role is less to teach than to guide, less to develop and more to help articulate: “the mind is not a vessel to be filled, but a fire to be lit” (Plutarch). This paper then addresses how this can be achieved taking into account criticism of employability initiatives as well as relevant learning theory. It discusses the experience of a large module which involved students being assessed on all stages of application for a live job description together with reflection on their professional development. The assessment itself adopted a Patchwork Text approach as a vehicle for learning. Students were guided to evaluate their strengths and areas to be developed, articulate their competencies, and reflect upon their development, moving on to new Thresholds of Employability. The paper uses the student voices to express the progress they made. It concludes that employability can and should be an effective part of the higher education curriculum when designed to encourage students to confidently articulate their competencies and take charge of their own professional development.Keywords: competencies, employability, patchwork assessment, threshold concepts
Procedia PDF Downloads 2162143 Permissible Horizontal Displacements during the Construction of Vertical Shafts in Soft Soils at the Valley of Mexico: Case History
Authors: Joel M. De La Rosa R.
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In this paper, the results obtained when monitoring the horizontal deformations of the soil mass are detailed, during each of the construction stages of several vertical shafts located in the soft soils of the Valley of Mexico, by means of the flotation method. From the analysis of these results, the magnitude and percentage relationship with respect to the diameter and depth of excavation of the horizontal deformations that occurred during the monitoring period is established. Based on the horizontal deformation monitoring system and the information provided by the supervisor's site log, the construction stages that have the greatest impact on deformations are established. Additionally, an analysis of the deformations is carried out, which takes into account the resistance and deformability characteristics of the excavated soils, as well as the prevailing hydraulic conditions. This work will allow construction engineers and institutions in charge of infrastructure works in the Valley of Mexico to establish permissible ranges for horizontal deformations that can occur in very soft and saturated soils, during the different construction stages; improving response protocols to potentially dangerous behaviors.Keywords: vertical shaft, flotation method, very soft clays, construction supervision
Procedia PDF Downloads 1882142 Identifying Degradation Patterns of LI-Ion Batteries from Impedance Spectroscopy Using Machine Learning
Authors: Yunwei Zhang, Qiaochu Tang, Yao Zhang, Jiabin Wang, Ulrich Stimming, Alpha Lee
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Forecasting the state of health and remaining useful life of Li-ion batteries is an unsolved challenge that limits technologies such as consumer electronics and electric vehicles. Here we build an accurate battery forecasting system by combining electrochemical impedance spectroscopy (EIS) -- a real-time, non-invasive and information-rich measurement that is hitherto underused in battery diagnosis -- with Gaussian process machine learning. We collect over 20,000 EIS spectra of commercial Li-ion batteries at different states of health, states of charge and temperatures -- the largest dataset to our knowledge of its kind. Our Gaussian process model takes the entire spectrum as input, without further feature engineering, and automatically determines which spectral features predict degradation. Our model accurately predicts the remaining useful life, even without complete knowledge of past operating conditions of the battery. Our results demonstrate the value of EIS signals in battery management systems.Keywords: battery degradation, machine learning method, electrochemical impedance spectroscopy, battery diagnosis
Procedia PDF Downloads 1482141 Adsorption of Bovine Serum Albumine on CeO2
Authors: Roman Marsalek
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Preparation of nano-particles of cerium oxide and adsorption of bovine serum albumine on them were studied. Particle size distribution and influence of pH on zeta potential of prepared CeO2 were determined. Average size of prepared cerium oxide nano-particles was 9 nm. The simultaneous measurements of the bovine serum albumine adsorption and zeta potential determination of the (adsorption) suspensions were carried out. The adsorption isotherms were found to be of typical Langmuir type; values of the bovine serum albumin adsorption capacities were calculated. Increasing of pH led to decrease of zeta potential and decrease of adsorption capacity of cerium oxide nano-particles. The maximum adsorption capacity was found for strongly acid suspension (am=118 mg/g). The samples of nanoceria with positive zeta potential adsorbed more bovine serum albumine on the other hand, the samples with negative zeta potential showed little or no protein adsorption. Surface charge or better say zeta potential of CeO2 nano-particles plays the key role in adsorption of proteins on such type of materials.Keywords: adsorption, BSA, cerium oxide nanoparticles, zeta potential, albumin
Procedia PDF Downloads 3692140 Determination of Optimum Conditions for the Leaching of Oxidized Copper Ores with Ammonium Nitrate
Authors: Javier Paul Montalvo Andia, Adriana Larrea Valdivia, Adolfo Pillihuaman Zambrano
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The most common lixiviant in the leaching process of copper minerals is H₂SO₄, however, the current situation requires more environmentally friendly reagents and in certain situations that have a lower consumption due to the presence of undesirable gangue as muscovite or kaolinite that can make the process unfeasible. The present work studied the leaching of an oxidized copper mineral in an aqueous solution of ammonium nitrate, in order to obtain the optimum leaching conditions of the copper contained in the malachite mineral from Peru. The copper ore studied comes from a deposit in southern Peru and was characterized by X-ray diffractometer, inductively coupled-plasma emission spectrometer (ICP-OES) and atomic absorption spectrophotometry (AAS). The experiments were developed in batch reactor of 600 mL where the parameters as; temperature, pH, ammonium nitrate concentration, particle size and stirring speed were controlled according to experimental planning. The sample solution was analyzed for copper by atomic absorption spectrophotometry (AAS). A simulation in the HSC Chemistry 6.0 program showed that the predominance of the copper compounds of a Cu-H₂O aqueous system is altered by the presence in the system of ammonium complexes, the compound being thermodynamically more stable Cu(NH3)₄²⁺, which predominates in pH ranges from 8.5 to 10 at a temperature of 25 °C. The optimum conditions for copper leaching of the malachite mineral were a stirring speed of 600 rpm, an ammonium nitrate concentration of 4M, a particle diameter of 53 um and temperature of 62 °C. These results showed that the leaching of copper increases with increasing concentration of the ammonium solution, increasing the stirring rate, increasing the temperature and decreasing the particle diameter. Finally, the recovery of copper in optimum conditions was above 80%.Keywords: ammonium nitrate, malachite, copper oxide, leaching
Procedia PDF Downloads 1892139 Design and Development of Real-Time Optimal Energy Management System for Hybrid Electric Vehicles
Authors: Masood Roohi, Amir Taghavipour
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This paper describes a strategy to develop an energy management system (EMS) for a charge-sustaining power-split hybrid electric vehicle. This kind of hybrid electric vehicles (HEVs) benefit from the advantages of both parallel and series architecture. However, it gets relatively more complicated to manage power flow between the battery and the engine optimally. The applied strategy in this paper is based on nonlinear model predictive control approach. First of all, an appropriate control-oriented model which was accurate enough and simple was derived. Towards utilization of this controller in real-time, the problem was solved off-line for a vast area of reference signals and initial conditions and stored the computed manipulated variables inside look-up tables. Look-up tables take a little amount of memory. Also, the computational load dramatically decreased, because to find required manipulated variables the controller just needed a simple interpolation between tables.Keywords: hybrid electric vehicles, energy management system, nonlinear model predictive control, real-time
Procedia PDF Downloads 3522138 Multi-Stage Optimization of Local Environmental Quality by Comprehensive Computer Simulated Person as Sensor for Air Conditioning Control
Authors: Sung-Jun Yoo, Kazuhide Ito
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In this study, a comprehensive computer simulated person (CSP) that integrates computational human model (virtual manikin) and respiratory tract model (virtual airway), was applied for estimation of indoor environmental quality. Moreover, an inclusive prediction method was established by integrating computational fluid dynamics (CFD) analysis with advanced CSP which is combined with physiologically-based pharmacokinetic (PBPK) model, unsteady thermoregulation model for analysis targeting micro-climate around human body and respiratory area with high accuracy. This comprehensive method can estimate not only the contaminant inhalation but also constant interaction in the contaminant transfer between indoor spaces, i.e., a target area for indoor air quality (IAQ) assessment, and respiratory zone for health risk assessment. This study focused on the usage of the CSP as an air/thermal quality sensor in indoors, which means the application of comprehensive model for assessment of IAQ and thermal environmental quality. Demonstrative analysis was performed in order to examine the applicability of the comprehensive model to the heating, ventilation, air conditioning (HVAC) control scheme. CSP was located at the center of the simple model room which has dimension of 3m×3m×3m. Formaldehyde which is generated from floor material was assumed as a target contaminant, and flow field, sensible/latent heat and contaminant transfer analysis in indoor space were conducted by using CFD simulation coupled with CSP. In this analysis, thermal comfort was evaluated by thermoregulatory analysis, and respiratory exposure risks represented by adsorption flux/concentration at airway wall surface were estimated by PBPK-CFD hybrid analysis. These Analysis results concerning IAQ and thermal comfort will be fed back to the HVAC control and could be used to find a suitable ventilation rate and energy requirement for air conditioning system.Keywords: CFD simulation, computer simulated person, HVAC control, indoor environmental quality
Procedia PDF Downloads 3612137 Thermal Energy Storage Based on Molten Salts Containing Nano-Particles: Dispersion Stability and Thermal Conductivity Using Multi-Scale Computational Modelling
Authors: Bashar Mahmoud, Lee Mortimer, Michael Fairweather
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New methods have recently been introduced to improve the thermal property values of molten nitrate salts (a binary mixture of NaNO3:KNO3in 60:40 wt. %), by doping them with minute concentration of nanoparticles in the range of 0.5 to 1.5 wt. % to form the so-called: Nano-heat-transfer-fluid, apt for thermal energy transfer and storage applications. The present study aims to assess the stability of these nanofluids using the advanced computational modelling technique, Lagrangian particle tracking. A multi-phase solid-liquid model is used, where the motion of embedded nanoparticles in the suspended fluid is treated by an Euler-Lagrange hybrid scheme with fixed time stepping. This technique enables measurements of various multi-scale forces whose characteristic (length and timescales) are quite different. Two systems are considered, both consisting of 50 nm Al2O3 ceramic nanoparticles suspended in fluids of different density ratios. This includes both water (5 to 95 °C) and molten nitrate salt (220 to 500 °C) at various volume fractions ranging between 1% to 5%. Dynamic properties of both phases are coupled to the ambient temperature of the fluid suspension. The three-dimensional computational region consists of a 1μm cube and particles are homogeneously distributed across the domain. Periodic boundary conditions are enforced. The particle equations of motion are integrated using the fourth order Runge-Kutta algorithm with a very small time-step, Δts, set at 10-11 s. The implemented technique demonstrates the key dynamics of aggregated nanoparticles and this involves: Brownian motion, soft-sphere particle-particle collisions, and Derjaguin, Landau, Vervey, and Overbeek (DLVO) forces. These mechanisms are responsible for the predictive model of aggregation of nano-suspensions. An energy transport-based method of predicting the thermal conductivity of the nanofluids is also used to determine thermal properties of the suspension. The simulation results confirms the effectiveness of the technique. The values are in excellent agreement with the theoretical and experimental data obtained from similar studies. The predictions indicates the role of Brownian motion and DLVO force (represented by both the repulsive electric double layer and an attractive Van der Waals) and its influence in the level of nanoparticles agglomeration. As to the nano-aggregates formed that was found to play a key role in governing the thermal behavior of nanofluids at various particle concentration. The presentation will include a quantitative assessment of these forces and mechanisms, which would lead to conclusions about nanofluids, heat transfer performance and thermal characteristics and its potential application in solar thermal energy plants.Keywords: thermal energy storage, molten salt, nano-fluids, multi-scale computational modelling
Procedia PDF Downloads 1912136 Multichannel Scheme under Fairness Environment for Cognitive Radio Networks
Authors: Hans Marquez Ramos, Cesar Hernandez, Ingrid Páez
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This paper develops a multiple channel assignment model, which allows to take advantage in most efficient way, spectrum opportunities in cognitive radio networks. Developed scheme allows make several available and frequency adjacent channel assignments, which require a bigger wide band, under an equality environment. The hybrid assignment model it is made by to algorithms, one who makes the ranking and select available frequency channels and the other one in charge of establishing an equality criteria, in order to not restrict spectrum opportunities for all other secondary users who wish to make transmissions. Measurements made were done for average bandwidth, average delay, as well fairness computation for several channel assignment. Reached results were evaluated with experimental spectrum occupational data from GSM frequency band captured. Developed model, shows evidence of improvement in spectrum opportunity use and a wider average transmit bandwidth for each secondary user, maintaining equality criteria in channel assignment.Keywords: bandwidth, fairness, multichannel, secondary users
Procedia PDF Downloads 5042135 An Investigation on the Suitability of Dual Ion Beam Sputtered GMZO Thin Films: For All Sputtered Buffer-Less Solar Cells
Authors: Vivek Garg, Brajendra S. Sengar, Gaurav Siddharth, Nisheka Anadkat, Amitesh Kumar, Shailendra Kumar, Shaibal Mukherjee
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CuInGaSe (CIGSe) is the dominant thin film solar cell technology. The band alignment of Buffer/CIGSe interface is one of the most crucial parameters for solar cell performance. In this article, the valence band offset (VBOff) and conduction band offset (CBOff) values of Cu(In0.70Ga0.30)Se/ 1 at.% Ga: Mg0.25Zn0.75O (GMZO) heterojunction, grown by dual ion beam sputtering system (DIBS), are calculated to understand the carrier transport mechanism at the heterojunction for the realization of all sputtered buffer-less solar cells. To determine the valence band offset (VBOff), ∆E_V at GMZO/CIGSe heterojunction interface, the standard method based on core-level photoemission is utilized. The value of ∆E_V can be evaluated by considering common core-level peaks. In our study, the values of (Valence band onset)VBOn, obtained by linear extrapolation method for GMZO and CIGSe films are calculated to be 2.86 and 0.76 eV. In the UPS spectra peak positions of Se 3d is observed in UPS spectra at 54.82 and 54.7 eV for CIGSe film and GMZO/CIGSe interface respectively, while the peak position of Mg 2p is observed at 50.09 and 50.12 eV for GMZO and GMZO/CIGSe interface respectively. The optical band gap of CIGSe and GMZO are obtained from absorption spectra procured from spectroscopic ellipsometry are 1.26 and 3.84 eV respectively. The calculated average values of ∆E_v and ∆E_C are estimated to be 2.37 and 0.21 eV, respectively, at room temperature. The calculated positive conduction band offset termed as a spike at the absorber junction is the required criterion for the high-efficiency solar cells for the efficient charge extraction from the junction. So we can conclude that the above study confirms GMZO thin films grown by the dual ion beam sputtering system are the suitable candidate for the CIGSe thin films based ultra-thin buffer-less solar cells. We investigated the band-offset properties at the GMZO/CIGSe heterojunction to verify the suitability of the GMZO for the realization of the buffer-less solar cells. The calculated average values of ∆E_V and ∆E_C are estimated to be 2.37 and 0.21 eV, respectively, at room temperature. The calculated positive conduction band offset termed as a spike at the absorber junction is the required criterion for the high-efficiency solar cells for the efficient charge extraction from the junction. So we can conclude that the above study confirms GMZO thin films grown by the dual ion beam sputtering system are the suitable candidate for the CIGSe thin films based ultra-thin buffer-less solar cells. Acknowledgment: We are thankful to DIBS, EDX, and XRD facility equipped at Sophisticated Instrument Centre (SIC) at IIT Indore. The authors B.S.S and A.K acknowledge CSIR and V.G acknowledge UGC, India for their fellowships. B.S.S is thankful to DST and IUSSTF for BASE Internship Award. Prof. Shaibal Mukherjee is thankful to DST and IUSSTF for BASE Fellowship and MEITY YFRF award. This work is partially supported by DAE BRNS, DST CERI, and DST-RFBR Project under India-Russia Programme of Cooperation in Science and Technology. We are thankful to Mukul Gupta for SIMS facility equipped at UGC-DAE Indore.Keywords: CIGSe, DIBS, GMZO, solar cells, UPS
Procedia PDF Downloads 2782134 Partial Discharge Characteristics of Free- Moving Particles in HVDC-GIS
Authors: Philipp Wenger, Michael Beltle, Stefan Tenbohlen, Uwe Riechert
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The integration of renewable energy introduces new challenges to the transmission grid, as the power generation is located far from load centers. The associated necessary long-range power transmission increases the demand for high voltage direct current (HVDC) transmission lines and DC distribution grids. HVDC gas-insulated switchgears (GIS) are considered being a key technology, due to the combination of the DC technology and the long operation experiences of AC-GIS. To ensure long-term reliability of such systems, insulation defects must be detected in an early stage. Operational experience with AC systems has proven evidence, that most failures, which can be attributed to breakdowns of the insulation system, can be detected and identified via partial discharge (PD) measurements beforehand. In AC systems the identification of defects relies on the phase resolved partial discharge pattern (PRPD). Since there is no phase information within DC systems this method cannot be transferred to DC PD diagnostic. Furthermore, the behaviour of e.g. free-moving particles differs significantly at DC: Under the influence of a constant direct electric field, charge carriers can accumulate on particles’ surfaces. As a result, a particle can lift-off, oscillate between the inner conductor and the enclosure or rapidly bounces at just one electrode, which is known as firefly motion. Depending on the motion and the relative position of the particle to the electrodes, broadband electromagnetic PD pulses are emitted, which can be recorded by ultra-high frequency (UHF) measuring methods. PDs are often accompanied by light emissions at the particle’s tip which enables optical detection. This contribution investigates PD characteristics of free moving metallic particles in a commercially available 300 kV SF6-insulated HVDC-GIS. The influences of various defect parameters on the particle motion and the PD characteristic are evaluated experimentally. Several particle geometries, such as cylinder, lamella, spiral and sphere with different length, diameter and weight are determined. The applied DC voltage is increased stepwise from inception voltage up to UDC = ± 400 kV. Different physical detection methods are used simultaneously in a time-synchronized setup. Firstly, the electromagnetic waves emitted by the particle are recorded by an UHF measuring system. Secondly, a photomultiplier tube (PMT) detects light emission with a wavelength in the range of λ = 185…870 nm. Thirdly, a high-speed camera (HSC) tracks the particle’s motion trajectory with high accuracy. Furthermore, an electrically insulated electrode is attached to the grounded enclosure and connected to a current shunt in order to detect low frequency ion currents: The shunt measuring system’s sensitivity is in the range of 10 nA at a measuring bandwidth of bw = DC…1 MHz. Currents of charge carriers, which are generated at the particle’s tip migrate through the gas gap to the electrode and can be recorded by the current shunt. All recorded PD signals are analyzed in order to identify characteristic properties of different particles. This includes e.g. repetition rates and amplitudes of successive pulses, characteristic frequency ranges and detected signal energy of single PD pulses. Concluding, an advanced understanding of underlying physical phenomena particle motion in direct electric field can be derived.Keywords: current shunt, free moving particles, high-speed imaging, HVDC-GIS, UHF
Procedia PDF Downloads 1602133 TiO₂ Deactivation Process during Photocatalytic Ethanol Degradation in the Gas Phase
Authors: W. El-Alami, J. Araña, O. González Díaz, J. M. Doña Rodríguez
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The efficiency of the semiconductor TiO₂ needs to be improved to be an effective tool for pollutant removal. To improve the efficiency of this semiconductor, it is necessary to deepen the knowledge of the processes that take place on its surface. In this sense, the deactivation of the catalyst is one of the aspects considered relevant. In order to study this point, the processes of deactivation of TiO₂ during the gas phase degradation of ethanol have been studied. For this, catalysts with only the anatase phase (SA and PC100) and catalysts with anatase and rutile phases (P25 and P90) have been selected. In order to force the deactivation processes, different cycles have been performed, adding ethanol gas but avoiding the degradation of acetates to determine their effect on the process. The surface concentration of fluorine on the catalysts was semi-quantitatively determined by EDAX analysis. The photocatalytic experiments were done with four commercial catalysts (P25, SA, P90, and PC100) and the two fluoride catalysts indicated above. The interaction and photocatalytic degradation of ethanol were followed by Fourier transform infrared spectroscopy (FTIR). EDAX analysis has revealed the presence of sodium on the surface of fluorinated catalysts. In FTIR studies, it has been observed that the acetates adsorbed on the anatase phase in P25 and P90 give rise to electron transfer to surface traps that modify the electronic states of the semiconductor. These deactivation studies have also been carried out with fluorinated P25 and SA catalysts (F-P25 and F-SA) which have observed similar electron transfers but in the opposite direction during illumination. In these materials, it has been observed that the electrons present in the surface traps, as a consequence of the interaction Ti-F, react with the holes, causing a change in the electronic states of the semiconductor. In this way, deactivated states of these materials have been detected by different electron transfer routes. It has been identified that acetates produced from the degradation of ethanol in P25 and P90 are probably hydrated on the surface of the rutile phase. In the catalysts with only the anatase phase (SA and PC100), the deactivation is immediate if the acetates are not removed before adsorbing ethanol again. In F-P25 and F-SA has been observed that the acetates formed react with the sodium ions present on the surface and not with the Ti atoms because they are interacting with the fluorine.Keywords: photocatalytic degradation, ethanol, TiO₂, deactivation process, F-P25
Procedia PDF Downloads 742132 Investigation of Atomic Adsorption on the Surface of BC3 Nanotubes
Authors: S. V. Boroznin, I. V. Zaporotskova, N. P. Polikarpova
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Studing of nanotubes sorption properties is very important for researching. These processes for carbon and boron nanotubes described in the high number of papers. But the sorption properties of boron containing nanotubes, susch as BC3-nanotubes haven’t been studied sufficiently yet. In this paper we present the results of theoretical research into the mechanism of atomic surface adsorption on the two types of boron-carbon nanotubes (BCNTs) within the framework of an ionic-built covalent-cyclic cluster model and an appropriately modified MNDO quantum chemical scheme and DFT method using B3LYP functional with 6-31G basis. These methods are well-known and the results, obtained using them, were in good agreement with the experiment. Also we studied three position of atom location above the nanotube surface. These facts suggest us to use them for our research and quantum-chemical calculations. We studied the mechanism of sorption of Cl, O and F atoms on the external surface of single-walled BC3 arm-chair nanotubes. We defined the optimal geometry of the sorption complexes and obtained the values of the sorption energies. Analysis of the band structure suggests that the band gap is insensitive to adsorption process. The electron density is located near atoms of the surface of the tube. Also we compared our results with others, which have been obtained earlier for pure carbon and boron nanotubes. The most stable adsorption complex has been between boron-carbon nanotube and oxygen atom. So, it suggests us to make a research of oxygen molecule adsorption on the BC3 nanotube surface. We modeled five variants of molecule orientation above the nanotube surface. The most stable sorption complex has been defined between the oxygen molecule and nanotube when the oxygen molecule is located above the nanotube surface perpendicular to the axis of the tube.Keywords: Boron-carbon nanotubes, nanostructures, nanolayers, quantum-chemical calculations, nanoengineering
Procedia PDF Downloads 3172131 Reconciling the Fatigue of Space Property Rights
Authors: King Kumire
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The Outer Space Treaty and the Moon Treaty have been the backbone of space law. However, scientists, engineers, and policymakers have been silent about how human settlement on celestial bodies would change the legal dimensions of space law. Indeed, these legal space regimes should have a prescription on how galactic courts should deal with the aspect of space property ownership. On this planet earth, one can vindicate his own assets. In extraterrestrial environments, this is not the case because space law is fatigued by terrestrial body sovereignty, which must be upheld. However, the recent commercialization of microgravity environments requires property ownership laws to be enacted. Space activities have mutated to the extent that it is almost possible to build communities in space. The discussions on the moon village concept will be mentioned as well to give clarity on the subject to the audience. It should be stated that launchers can now explore the cosmos with space tourists. The world is also busy doing feasibility studies on how to implement space mining projects. These activities indisputably show that the research is important because it will not only expose how the cosmic world is constrained by existing legal frameworks, but it will provide a remedy for how the inevitable dilemma of property rights can be resolved through the formulation of multilateral and all-inclusive policies. The discussion will model various aspects of terrestrial property rights and the associated remedies against what can be applicable and customized for use in extraterrestrial environments. Transfer of ownership in space is also another area of interest as the researcher shall try to distinguish between envisaged personal and real rights in the new frontier vis-a-vis mainland transfer transactions. The writer imagines the extent to which the concepts of servitudes, accession, prescription and commixes, and other property templates can act as a starting point when cosmic probers move forward with the revision of orbital law. The article seeks to reconcile these ownership constraints by working towards the development of a living space common law which is elastic and embroidered by sustainable recommendations. A balance between transplanting terrestrial laws to the galactic arena and the need to enact new ones which will complement the existing space treaties will be meticulously pivoted.Keywords: rights, commercialisation, ownership, sovereignty
Procedia PDF Downloads 1372130 Experimental Study of Water Injection into Manifold on Engine Performance and Emissions in Compression Ignition Engine
Authors: N. Rajmohan, M. R. Swaminathan
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The performance of a diesel engine depends mainly on mixing of the fuel and air in the combustion chamber. The diesel engine suffers from significant generation of nitric oxide and particulate matter emission due to incomplete combustion. As the fuel is injected directly into the combustion chamber in conventional diesel engines, spatial distributions of air-fuel ratio vary widely from rich to lean in combustion chamber. The NOx is formed in stoichiometric zone and smoke is generated during diffusion combustion period where the combustion rate becomes slower. One of the effective methods to reduce oxides of nitrogen and particulate matter emissions simultaneously is to reduce the intake charge temperature in diesel engines. Therefore, in the present study, the effect of water injection into intake air on performance and emission characteristic of single cylinder CI engine are carried out at different load and constant speed, with variable water to diesel ratio by mass. The water is injected into intake air by an elementary carburetor.Keywords: engine emission control, oxides of nitrogen, diesel engine, ignition engine
Procedia PDF Downloads 3612129 Complex Dynamics in a Model of Management of the Protected Areas
Authors: Paolo Russu
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This paper investigates the economic and ecological dynamics that emerge in Protected Areas (PAs) due to interactions between visitors and the animals that live there. The PAs contain two species whose interactions are determined by the Lotka-Volterra equations system. Visitors' decisions to visit PAs are influenced by the entrance cost required to enter the park and the chance of witnessing the species living there. Visitors have contradictory effects on the species and thus on the sustainability of the protected areas: on the one hand, an increase in the number of tourists damages the natural habitat of the regions and thus the species living there; on the other hand, it increases the total amount of entrance fees that the managing body of the PAs can use to perform defensive expenditures that protect the species from extinction. For a given set of parameter values, saddle-node bifurcation, Hopf bifurcation, homoclinic orbits, and a Bogdanov–Takens bifurcation of codimension two has been investigated. The system displays periodic doubling and chaotic solutions, as numerical examples demonstrate. Pontryagin's Maximum Principle was utilised to develop an optimal admission charge policy that maximised social gain and ecosystem conservation.Keywords: chaos, bifurcation points, dynamical model, optimal control
Procedia PDF Downloads 822128 Effect of Velocity-Slip in Nanoscale Electroosmotic Flows: Molecular and Continuum Transport Perspectives
Authors: Alper T. Celebi, Ali Beskok
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Electroosmotic (EO) slip flows in nanochannels are investigated using non-equilibrium molecular dynamics (MD) simulations, and the results are compared with analytical solution of Poisson-Boltzmann and Stokes (PB-S) equations with slip contribution. The ultimate objective of this study is to show that well-known continuum flow model can accurately predict the EO velocity profiles in nanochannels using the slip lengths and apparent viscosities obtained from force-driven flow simulations performed at various liquid-wall interaction strengths. EO flow of aqueous NaCl solution in silicon nanochannels are simulated under realistic electrochemical conditions within the validity region of Poisson-Boltzmann theory. A physical surface charge density is determined for nanochannels based on dissociations of silanol functional groups on channel surfaces at known salt concentration, temperature and local pH. First, we present results of density profiles and ion distributions by equilibrium MD simulations, ensuring that the desired thermodynamic state and ionic conditions are satisfied. Next, force-driven nanochannel flow simulations are performed to predict the apparent viscosity of ionic solution between charged surfaces and slip lengths. Parabolic velocity profiles obtained from force-driven flow simulations are fitted to a second-order polynomial equation, where viscosity and slip lengths are quantified by comparing the coefficients of the fitted equation with continuum flow model. Presence of charged surface increases the viscosity of ionic solution while the velocity-slip at wall decreases. Afterwards, EO flow simulations are carried out under uniform electric field for different liquid-wall interaction strengths. Velocity profiles present finite slips near walls, followed with a conventional viscous flow profile in the electrical double layer that reaches a bulk flow region in the center of the channel. The EO flow enhances with increased slip at the walls, which depends on wall-liquid interaction strength and the surface charge. MD velocity profiles are compared with the predictions from analytical solutions of the slip modified PB-S equation, where the slip length and apparent viscosity values are obtained from force-driven flow simulations in charged silicon nano-channels. Our MD results show good agreements with the analytical solutions at various slip conditions, verifying the validity of PB-S equation in nanochannels as small as 3.5 nm. In addition, the continuum model normalizes slip length with the Debye length instead of the channel height, which implies that enhancement in EO flows is independent of the channel height. Further MD simulations performed at different channel heights also shows that the flow enhancement due to slip is independent of the channel height. This is important because slip enhanced EO flow is observable even in micro-channels experiments by using a hydrophobic channel with large slip and high conductivity solutions with small Debye length. The present study provides an advanced understanding of EO flows in nanochannels. Correct characterization of nanoscale EO slip flow is crucial to discover the extent of well-known continuum models, which is required for various applications spanning from ion separation to drug delivery and bio-fluidic analysis.Keywords: electroosmotic flow, molecular dynamics, slip length, velocity-slip
Procedia PDF Downloads 158