Search results for: kinetic energy loss
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 11765

Search results for: kinetic energy loss

5765 Optimal Allocation of Distributed Generation Sources for Loss Reduction and Voltage Profile Improvement by Using Particle Swarm Optimization

Authors: Muhammad Zaheer Babar, Amer Kashif, Muhammad Rizwan Javed

Abstract:

Nowadays distributed generation integration is best way to overcome the increasing load demand. Optimal allocation of distributed generation plays a vital role in reducing system losses and improves voltage profile. In this paper, a Meta heuristic technique is proposed for allocation of DG in order to reduce power losses and improve voltage profile. The proposed technique is based on Multi Objective Particle Swarm optimization. Fewer control parameters are needed in this algorithm. Modification is made in search space of PSO. The effectiveness of proposed technique is tested on IEEE 33 bus test system. Single DG as well as multiple DG scenario is adopted for proposed method. Proposed method is more effective as compared to other Meta heuristic techniques and gives better results regarding system losses and voltage profile.

Keywords: Distributed generation (DG), Multi Objective Particle Swarm Optimization (MOPSO), particle swarm optimization (PSO), IEEE standard Test System

Procedia PDF Downloads 454
5764 Incorporating Circular Economy into Passive Design Strategies in Tropical Nigeria

Authors: Noah G. Akhimien, Eshrar Latif

Abstract:

The natural environment is in need for an urgent rescue due to dilapidation and recession of resources. Passive design strategies have proven to be one of the effective ways to reduce CO2 emissions and to improve building performance. On the other hand, there is a huge drop in material availability due to poor recycling culture. Consequently, building waste pose environmental hazard due to unrecycled building materials from construction and deconstruction. Buildings are seen to be material banks for a circular economy, therefore incorporating circular economy into passive housing will not only safe guide the climate but also improve resource efficiency. The study focuses on incorporating a circular economy in passive design strategies for an affordable energy and resource efficient residential building in Nigeria. Carbon dioxide (CO2) concentration is still on the increase as buildings are responsible for a significant amount of this emission globally. Therefore, prompt measures need to be taken to combat the effect of global warming and associated threats. Nigeria is rapidly growing in human population, resources on the other hand have receded greatly, and there is an abrupt need for recycling even in the built environment. It is necessary that Nigeria responds to these challenges effectively and efficiently considering building resource and energy. Passive design strategies were assessed using simulations to obtain qualitative and quantitative data which were inferred to case studies as it relates to the Nigeria climate. Building materials were analysed using the ReSOLVE model in order to explore possible recycling phase. This provided relevant information and strategies to illustrate the possibility of circular economy in passive buildings. The study offers an alternative approach, as it is the general principle for the reworking of an economy on ecological lines in passive housing and by closing material loops in circular economy.

Keywords: building, circular, efficiency, environment, sustainability

Procedia PDF Downloads 253
5763 Electrical and Magnetic Properties of Neodymium and Erbium Doped Bismuth Ferrite Multifunctional Materials for Spintronic Devices

Authors: Ravinder Dachepalli, Naveena Gadwala, K. Vani

Abstract:

Nd and Er substituted bismuth nano crystalline multifunctional materials were prepared by citrate gel autocombution technique. The structural characterization was carried out by XRD and SEM. Electrical properties such are electrical conductivity and dielectric properties have been measured. Plots of electrical conductivity versus temperature increases with increasing temperature and shown a transition near Curie temperature. Dielectric properties such are dielectric constant and dielectric loss tangent have been measured from 20Hz to 2 MHz at room temperature. Plots of dielectric constant versus frequency show a normal dielectric behaviour of multifunctional materials. Temperature dependence of magnetic properties of Bi-Nd and Bi-Er multi-functional materials were carried out by using Vibrating sample magnetometer (VSM). The magnetization as a function of an applied field ±100 Oe was carried out at 3K and 360 K. Zero field Cooled (ZFC) and Field Cooled (FC) magnetization measurements under an applied field of 100Oe a in the temperature range of 5-375K. The observed results can be explained for spintronic devices.

Keywords: Bi-Nd and Bi-Er Multifunctional Materia, Citrate Gel Auto combustion Technique, FC-ZFC magnetization, Dielectric constant

Procedia PDF Downloads 400
5762 An Analysis of Urban Institutional Arrangements and Their Implications on Wetlands Allocation for Development Purposes: A Case of Harare, Zimbabwe

Authors: Effort M. Magoso

Abstract:

This study analyses urban institutional arrangements and their implications on allocation of wetlands for development purposes in Zimbabwe using a case study of Harare. It was driven by the need to get to the root of the current urban assault on wetlands. The study sought to analyse institutions that influence wetlands governance in Harare, to ascertain level of wetlands loss and to determine the adequacy of the legal and regulatory framework for governing wetlands. Theories of common property resources and of institutions are the paradigms that undergird this study. A qualitative research methodology was employed, while in-depth interviews, observations and document review were used to gather data. The study found out that unchecked infrastructure developments are taking place in the city’s wetlands. Urban institutional arrangements in Harare were exposed as having negative implications on the protection of wetlands. It is the key argument of this study that good institutional arrangements are priceless in the protection of commons such as wetlands. This study also recommends a new framework that has environmentalists and technocrats as the final decision maker in land allocation as the solution to protect wetlands from undue anthropogenic activities.

Keywords: institutional arrangements, common property resources, wetlands, institutions

Procedia PDF Downloads 388
5761 DFT Insights into CO₂ Capture Mechanisms and Kinetics in Diamine-Appended Grafted Mg₂ (dobpdc) Metal- Organic Frameworks

Authors: Mao-Sheng Su, Santhanamoorthi Nachimuthu, Jyh-Chiang Jiang

Abstract:

Climate change is widely recognized as a global crisis, with anthropogenic CO₂ emissions from fossil fuel combustion and industrial processes being major contributors. To address this challenge, carbon capture and sequestration (CCS) technology has emerged as a key strategy for selectively capturing CO₂ from flue gas streams. Among the various solid adsorbents, metal–organic frameworks (MOFs) are notable for their extensive surface area and controllable pore chemistry. The porous MOF structure is comprised of metal ions or clusters coordinated to organic linker compounds. In particular, the pore parameters of MOFs are readily tunable, making them promising materials for CO₂ capture applications. Among these, amine-functionalized MOFs have demonstrated exceptional CO₂ capture abilities because their high uptake capacity and selectivity. In this study, we have investigated the CO₂ capture abilities and adsorption mechanisms of the diamine-appended framework N-Ethylethylenediamine-Mg₂(4,4’-dioxidobiphenyl-3,3’-dicarboxylate) (e-2-Mg₂(dobpdc)) using density functional theory (DFT) calculations. Previous studies have suggested that CO₂ can be captured via both outer- and inner-amine binding sites. Our findings reveal that CO₂ adsorption at the outer amine site is kinetically more favorable compared to the inner amine site, with a lower energy barrier of 1.34 eV for CO₂ physisorption to chemisorption compared to the inner amine, which has an activation barrier of 1.60 eV. Furthermore, we find that CO₂ adsorption is significantly enhanced in an alkaline environment, as deprotonation of the diamine molecule reduces the energy barrier to 0.24 eV. This theoretical study provides detailed insights into CO₂ adsorption in diamine-appended e-2-Mg₂(dobpdc) MOF, offering a deeper understanding of CO₂ capture mechanisms and valuable information for the advancement of effective CO₂ sequestration technologies.

Keywords: DFT, MOFs, CO₂ capture, catalyst

Procedia PDF Downloads 29
5760 Modelling of Air-Cooled Adiabatic Membrane-Based Absorber for Absorption Chillers Using Low Temperature Solar Heat

Authors: M. Venegas, M. De Vega, N. García-Hernando

Abstract:

Absorption cooling chillers have received growing attention over the past few decades as they allow the use of low-grade heat to produce the cooling effect. The combination of this technology with solar thermal energy in the summer period can reduce the electricity consumption peak due to air-conditioning. One of the main components, the absorber, is designed for simultaneous heat and mass transfer. Usually, shell and tubes heat exchangers are used, which are large and heavy. Cooling water from a cooling tower is conventionally used to extract the heat released during the absorption and condensation processes. These are clear inconvenient for the generalization of the absorption technology use, limiting its benefits in the contribution to the reduction in CO2 emissions, particularly for the H2O-LiBr solution which can work with low heat temperature sources as provided by solar panels. In the present work a promising new technology is under study, consisting in the use of membrane contactors in adiabatic microchannel mass exchangers. The configuration here proposed consists in one or several modules (depending on the cooling capacity of the chiller) that contain two vapour channels, separated from the solution by adjacent microporous membranes. The solution is confined in rectangular microchannels. A plastic or synthetic wall separates the solution channels between them. The solution entering the absorber is previously subcooled using ambient air. In this way, the need for a cooling tower is avoided. A model of the configuration proposed is developed based on mass and energy balances and some correlations were selected to predict the heat and mass transfer coefficients. The concentration and temperatures along the channels cannot be explicitly determined from the set of equations obtained. For this reason, the equations were implemented in a computer code using Engineering Equation Solver software, EES™. With the aim of minimizing the absorber volume to reduce the size of absorption cooling chillers, the ratio between the cooling power of the chiller and the absorber volume (R) is calculated. Its variation is shown along the solution channels, allowing its optimization for selected operating conditions. For the case considered the solution channel length is recommended to be lower than 3 cm. Maximum values of R obtained in this work are higher than the ones found in optimized horizontal falling film absorbers using the same solution. Results obtained also show the variation of R and the chiller efficiency (COP) for different ambient temperatures and desorption temperatures typically obtained using flat plate solar collectors. The configuration proposed of adiabatic membrane-based absorber using ambient air to subcool the solution is a good technology to reduce the size of the absorption chillers, allowing the use of low temperature solar heat and avoiding the need for cooling towers.

Keywords: adiabatic absorption, air-cooled, membrane, solar thermal energy

Procedia PDF Downloads 285
5759 Synthesis of Methanol through Photocatalytic Conversion of CO₂: A Green Chemistry Approach

Authors: Sankha Chakrabortty, Biswajit Ruj, Parimal Pal

Abstract:

Methanol is one of the most important chemical products and intermediates. It can be used as a solvent, intermediate or raw material for a number of higher valued products, fuels or additives. From the last one decay, the total global demand of methanol has increased drastically which forces the scientists to produce a large amount of methanol from a renewable source to meet the global demand with a sustainable way. Different types of non-renewable based raw materials have been used for the synthesis of methanol on a large scale which makes the process unsustainable. In this circumstances, photocatalytic conversion of CO₂ into methanol under solar/UV excitation becomes a viable approach to give a sustainable production approach which not only meets the environmental crisis by recycling CO₂ to fuels but also reduces CO₂ amount from the atmosphere. Development of such sustainable production approach for CO₂ conversion into methanol still remains a major challenge in the current research comparing with conventional energy expensive processes. In this backdrop, the development of environmentally friendly materials, like photocatalyst has taken a great perspective for methanol synthesis. Scientists in this field are always concerned about finding an improved photocatalyst to enhance the photocatalytic performance. Graphene-based hybrid and composite materials with improved properties could be a better nanomaterial for the selective conversion of CO₂ to methanol under visible light (solar energy) or UV light. The present invention relates to synthesis an improved heterogeneous graphene-based photocatalyst with improved catalytic activity and surface area. Graphene with enhanced surface area is used as coupled material of copper-loaded titanium oxide to improve the electron capture and transport properties which substantially increase the photoinduced charge transfer and extend the lifetime of photogenerated charge carriers. A fast reduction method through H₂ purging has been adopted to synthesis improved graphene whereas ultrasonication based sol-gel method has been applied for the preparation of graphene coupled copper loaded titanium oxide with some enhanced properties. Prepared photocatalysts were exhaustively characterized using different characterization techniques. Effects of catalyst dose, CO₂ flow rate, reaction temperature and stirring time on the efficacy of the system in terms of methanol yield and productivity have been studied in the present study. The study shown that the newly synthesized photocatalyst with an enhanced surface resulting in a sustained productivity and yield of methanol 0.14 g/Lh, and 0.04 g/gcat respectively, after 3 h of illumination under UV (250W) at an optimum catalyst dosage of 10 g/L having 1:2:3 (Graphene: TiO₂: Cu) weight ratio.

Keywords: renewable energy, CO₂ capture, photocatalytic conversion, methanol

Procedia PDF Downloads 108
5758 A Temporary Shelter Proposal for Displaced People

Authors: İrem Yetkin, Feray Maden, Seda Tosun, Yenal Akgün, Özgür Kilit, Koray Korkmaz, Gökhan Kiper, Mustafa Gündüzalp

Abstract:

Forced migration, whether caused by conflicts or other factors, frequently places individuals in vulnerable situations, necessitating immediate access to shelter. To promptly address the immediate needs of affected individuals, temporary shelters are often established. These shelters are characterized by their adaptable and functional nature, encompassing lightweight and sustainable structural systems, rapid assembly capabilities, modularity, and transportability. The shelter design is contingent upon demand, resulting in distinct phases for different structural forms. A multi-phased shelter approach covers emergency response, temporary shelter, and permanent reconstruction. Emergency shelters play a critical role in providing immediate life-saving aid, while temporary and transitional shelters, which are also called “t-shelters,” offer longer-term living environments during the recovery and rebuilding phases. Among these, temporary shelters are more extensively covered in the literature due to their diverse inhabiting functions. The roles of emergency shelters and temporary shelters are inherently separate, addressing distinct aspects of sheltering processes. Given their prolonged usage, temporary shelters are built for greater durability compared to emergency shelters. Nonetheless, inadequacies in temporary shelters can lead to challenges in ensuring habitability. Issues like non-expandable structures unsuitable for accommodating large families, the use of short-term shelters that worsen conditions, non-waterproof materials providing insufficient protection against bad weather conditions, and complex installation systems contribute to these problems. Given the aforementioned problems, there arises a need to develop adaptive shelters featuring lightweight components for ease of transport, possess the ability for rapid assembly, and utilize durable materials to withstand adverse weather conditions. In this study, first, the state-of-the-art on temporary shelters is presented. Then, an adaptive temporary shelter composed of foldable plates is proposed, which can easily be assembled and transportable. The proposed shelter is deliberated upon its movement capacity, transportability, and flexibility. This study makes a valuable contribution to the literature since it not only offers a systematic analysis of temporary shelters utilizing kinetic systems but also presents a practical solution that meets the necessary design requirements.

Keywords: deployable structures, foldable plates, forced migration, temporary shelters

Procedia PDF Downloads 73
5757 Structural, Magnetic, Dielectric, and Electrical Properties of ZnFe2O4 Nanoparticles

Authors: Raghvendra Singh Yadav, Ivo Kuřitka, Jarmila Vilcakova, Pavel Urbanek, Michal Machovsky, Milan Masař, Martin Holek

Abstract:

ZnFe2O4 spinel ferrite nanoparticles were synthesized by sol-gel auto-combustion method. The synthesized spinel ferrite nanoparticles were annealed at different higher temperature to achieve different size nanoparticles. The as synthesized and annealed samples were characterized by powder X-ray Diffraction Spectroscopy, Raman Spectroscopy, Fourier Transform Infrared Spectroscopy, UV-Vis absorption Spectroscopy and Scanning Electron Microscopy. The magnetic properties were studied by vibrating sample magnetometer. The variation in magnetic parameters was noticed with variation in grain size. The dielectric constant and dielectric loss with variation of frequency shows normal behaviour of spinel ferrite. The variation in conductivity with variation in grain size is noticed. Modulus and Impedance Spectroscopy shows the role of grain and grain boundary on the electrical resistance and capacitance of different grain sized spinel ferrite nanoparticles. Acknowledgment: This work was supported by the Ministry of Education, Youth and Sports of the Czech Republic – Program NPU I (LO1504).

Keywords: spinel ferrite, nanoparticles, magnetic properties, dielectric properties

Procedia PDF Downloads 428
5756 Efficient Chiller Plant Control Using Modern Reinforcement Learning

Authors: Jingwei Du

Abstract:

The need of optimizing air conditioning systems for existing buildings calls for control methods designed with energy-efficiency as a primary goal. The majority of current control methods boil down to two categories: empirical and model-based. To be effective, the former heavily relies on engineering expertise and the latter requires extensive historical data. Reinforcement Learning (RL), on the other hand, is a model-free approach that explores the environment to obtain an optimal control strategy often referred to as “policy”. This research adopts Proximal Policy Optimization (PPO) to improve chiller plant control, and enable the RL agent to collaborate with experienced engineers. It exploits the fact that while the industry lacks historical data, abundant operational data is available and allows the agent to learn and evolve safely under human supervision. Thanks to the development of language models, renewed interest in RL has led to modern, online, policy-based RL algorithms such as the PPO. This research took inspiration from “alignment”, a process that utilizes human feedback to finetune the pretrained model in case of unsafe content. The methodology can be summarized into three steps. First, an initial policy model is generated based on minimal prior knowledge. Next, the prepared PPO agent is deployed so feedback from both critic model and human experts can be collected for future finetuning. Finally, the agent learns and adapts itself to the specific chiller plant, updates the policy model and is ready for the next iteration. Besides the proposed approach, this study also used traditional RL methods to optimize the same simulated chiller plants for comparison, and it turns out that the proposed method is safe and effective at the same time and needs less to no historical data to start up.

Keywords: chiller plant, control methods, energy efficiency, proximal policy optimization, reinforcement learning

Procedia PDF Downloads 29
5755 Rapid Degradation of High-Concentration Methylene Blue in the Combined System of Plasma-Enhanced Photocatalysis Using TiO₂-Carbon

Authors: Teguh Endah Saraswati, Kusumandari Kusumandari, Candra Purnawan, Annisa Dinan Ghaisani, Aufara Mahayum

Abstract:

The present study aims to investigate the degradation of methylene blue (MB) using TiO₂-carbon (TiO₂-C) photocatalyst combined with dielectric discharge (DBD) plasma. The carbon materials used in the photocatalyst were activated carbon and graphite. The thin layer of TiO₂-C photocatalyst was prepared by ball milling method which was then deposited on the plastic sheet. The characteristic of TiO₂-C thin layer was analyzed using X-ray diffraction (XRD), scanning electron microscopy (SEM) with energy dispersive X-ray (EDX) spectroscopy, and UV-Vis diffuse reflectance spectrophotometer. The XRD diffractogram patterns of TiO₂-G thin layer in various weight compositions of 50:1, 50:3, and 50:5 show the 2θ peaks found around 25° and 27° are the main characteristic of TiO₂ and carbon. SEM analysis shows spherical and regular morphology of the photocatalyst. Analysis using UV-Vis diffuse reflectance shows TiO₂-C has narrower band gap energy. The DBD plasma reactor was generated using two electrodes of Cu tape connected with stainless steel mesh and Fe wire separated by a glass dielectric insulator, supplied by a high voltage 5 kV with an air flow rate of 1 L/min. The optimization of the weight composition of TiO₂-C thin layer was studied based on the highest reduction of the MB concentration achieved, examined by UV-Vis spectrophotometer. The changes in pH values and color of MB indicated the success of MB degradation. Moreover, the degradation efficiency of MB was also studied in various higher concentrations of 50, 100, 200, 300 ppm treated for 0, 2, 4, 6, 8, 10 min. The degradation efficiency of MB treated in combination system of photocatalysis and DBD plasma reached more than 99% in 6 min, in which the greater concentration of methylene blue dye, the lower degradation rate of methylene blue dye would be achieved.

Keywords: activated carbon, DBD plasma, graphite, methylene blue, photocatalysis

Procedia PDF Downloads 124
5754 Larger Diameter 22 MM-PDC Cutter Greatly Improves Drilling Efficiency of PDC Bit

Authors: Fangyuan Shao, Wei Liu, Deli Gao

Abstract:

With the increasing speed of oil and gas exploration, development and production at home and abroad, the demand for drilling speed up technology is becoming more and more critical to reduce the development cost. Highly efficient and personalized PDC bit is important equipment in the bottom hole assembly (BHA). Therefore, improving the rock-breaking efficiency of PDC bits will help reduce drilling time and drilling cost. Advances in PDC bit technology have resulted in a leapfrogging improvement in the rate of penetration (ROP) of PDC bits over roller cone bits in soft to medium-hard formations. Recently, with the development of PDC technology, the diameter of the PDC tooth can be further expanded. The maximum diameter of the PDC cutter used in this paper is 22 mm. According to the theoretical calculation, under the same depth of cut (DOC), the 22mm-PDC cutter increases the exposure of the cutter, and the increase of PDC cutter diameter helps to increase the cutting area of the PDC cutter. In order to evaluate the cutting performance of the 22 mm-PDC cutter and the existing commonly used cutters, the 16 mm, 19 mm and 22 mm PDC cutter was selected put on a vertical turret lathe (VTL) in the laboratory for cutting tests under different DOCs. The DOCs were 0.5mm, 1.0 mm, 1.5 mm and 2.0 mm, 2.5 mm and 3 mm, respectively. The rock sample used in the experiment was limestone. Results of laboratory tests have shown the new 22 mm-PDC cutter technology greatly improved cutting efficiency. On the one hand, as the DOC increases, the mechanical specific energy (MSE) of all cutters decreases, which means that the cutting efficiency increases. On the other hand, under the same DOC condition, the larger the cutter diameter is, the larger the working area of the cutter is, which leads to higher the cutting efficiency. In view of the high performance of the 22 mm-PDC cutters, which was applied to carry out full-scale bit field experiments. The result shows that the bit with 22mm-PDC cutters achieves a breakthrough improvement of ROP than that with conventional 16mm and 19mm cutters in offset well drilling.

Keywords: polycrystalline diamond compact, 22 mm-PDC cutters, cutting efficiency, mechanical specific energy

Procedia PDF Downloads 204
5753 Comparati̇ve Study of Pi̇xel and Object-Based Image Classificati̇on Techni̇ques for Extracti̇on of Land Use/Land Cover Informati̇on

Authors: Mahesh Kumar Jat, Manisha Choudhary

Abstract:

Rapid population and economic growth resulted in changes in large-scale land use land cover (LULC) changes. Changes in the biophysical properties of the Earth's surface and its impact on climate are of primary concern nowadays. Different approaches, ranging from location-based relationships or modelling earth surface - atmospheric interaction through modelling techniques like surface energy balance (SEB) have been used in the recent past to examine the relationship between changes in Earth surface land cover and climatic characteristics like temperature and precipitation. A remote sensing-based model i.e., Surface Energy Balance Algorithm for Land (SEBAL), has been used to estimate the surface heat fluxes over Mahi Bajaj Sagar catchment (India) from 2001 to 2020. Landsat ETM and OLI satellite data are used to model the SEB of the area. Changes in observed precipitation and temperature, obtained from India Meteorological Department (IMD) have been correlated with changes in surface heat fluxes to understand the relative contributions of LULC change in changing these climatic variables. Results indicate a noticeable impact of LULC changes on climatic variables, which are aligned with respective changes in SEB components. Results suggest that precipitation increases at a rate of 20 mm/year. The maximum and minimum temperature decreases and increases at 0.007 ℃ /year and 0.02 ℃ /year, respectively. The average temperature increases at 0.009 ℃ /year. Changes in latent heat flux and sensible heat flux positively correlate with precipitation and temperature, respectively. Variation in surface heat fluxes influences the climate parameters and is an adequate reason for climate change. So, SEB modelling is helpful to understand the LULC change and its impact on climate.

Keywords: remote sensing, GIS, object based, classification

Procedia PDF Downloads 131
5752 Intelligent Tooling Embedded Sensors for Monitoring the Wear of Cutting Tools in Turning Applications

Authors: Hatim Laalej, Jon Stammers

Abstract:

In machining, monitoring of tool wear is essential for achieving the desired dimensional accuracy and surface finish of a machined workpiece. Currently, the task of monitoring the wear on the cutting tool is carried out by the operator who performs manual inspections of the cutting tool, causing undesirable stoppages of machine tools and consequently resulting in costs incurred from loss of productivity. The cutting tool consumable costs may also be higher than necessary when tools are changed before the end of their useful life. Furthermore, damage can be caused to the workpiece when tools are not changed soon enough leading to a significant increase in the costs of manufacturing. The present study is concerned with the development of break sensor printed on the flank surface of poly-crystalline diamond (PCD) cutting to perform on-line condition monitoring of the cutting tool used to machine Titanium Ti-6al-4v bar. The results clearly show that there is a strong correlation between the break sensor measurements and the amount of wear in the cutting tool. These findings are significant in that they help the user/operator of the machine tool to determine the condition of the cutting tool without the need of performing manual inspection, thereby reducing the manufacturing costs such as the machine down time.

Keywords: machining, manufacturing, tool wear, signal processing

Procedia PDF Downloads 245
5751 Sustainable Hydrogen Generation via Gasification of Pig Hair Biowaste with NiO/Al₂O₃ Catalysts

Authors: Jamshid Hussain, Kuen Song Lin

Abstract:

Over one thousand tons of pig hair biowaste (PHB) are produced yearly in Taiwan. The improper disposal of PHB can have a negative impact on the environment, consequently contributing to the spread of diseases. The treatment of PHB has become a major environmental and economic challenge. Innovative treatments must be developed because of the heavy metal and sulfur content of PHB. Like most organic materials, PHB is composed of many organic volatiles that contain large amounts of hydrogen. Hydrogen gas can be effectively produced by the catalytic gasification of PHB using a laboratory-scale fixed-bed gasifier, employing 15 wt% NiO/Al₂O₃ catalyst at 753–913 K. The derived kinetic parameters were obtained and refined using simulation calculations. FE–SEM microphotograph showed that NiO/Al₂O₃ catalyst particles are Spherical or irregularly shaped with diameters of 10–20 nm. HR–TEM represented that the fresh Ni particles were evenly dispersed and uniform in the microstructure of Al₂O₃ support. The sizes of the NiO nanoparticles were vital in determining catalyst activity. As displayed in the pre-edge XANES spectra of the NiO/Al₂O₃ catalysts, it exhibited a non-intensive absorbance nature for the 1s to 3d transition, which is prohibited by the selection rule for an ideal octahedral symmetry. Similarly, the populace of Ni(II) and Ni(0) onto Al₂O₃ supports are proportional to the strength of the 1s to 4pxy transition, respectively. The weak shoulder at 8329–8334 eV and a strong character at 8345–8353 eV were ascribed to the 1s to 4pxy shift, which suggested the presence of NiO types onto Al₂O₃ support in PHB catalytic gasification. As determined by the XANES analyses, Ni(II)→Ni(0) reduction was mostly observed. The oxidation of PHB onto the NiO/Al₂O₃ surface may have resulted in Ni(0) and the formation of tar during the gasification process. The EXAFS spectra revealed that the Ni atoms with Ni–Ni/Ni–O bonds were found. The Ni–O bonding proved that the produced syngas were unable to reduce NiO to Ni(0) completely. The weakness of the Ni–Ni bonds may have been caused by the highly dispersed Ni in the Al₂O₃ support. The central Ni atoms have Ni–O (2.01 Å) and Ni–Ni (2.34 Å) bond distances in the fresh NiO/Al₂O₃ catalyst. The PHB was converted into hydrogen-rich syngas (CO + H₂, >89.8% dry basis). When PHB (250 kg h−1) was catalytically gasified at 753–913 K, syngas was produced at approximately 5.45 × 105 kcal h−1 of heat recovery with 76.5%–83.5% cold gas efficiency. The simulation of the pilot-scale PHB catalytic gasification demonstrated that the system could provide hydrogen (purity > 99.99%) and generate electricity for an internal combustion engine of 100 kW and a proton exchange membrane fuel cell (PEMFC) of 175 kW. A projected payback for a PHB catalytic gasification plant with a capacity of 10- or 20-TPD (ton per day) was around 3.2 or 2.5 years, respectively.

Keywords: pig hair biowaste, catalytic gasification, hydrogen production, PEMFC, resource recovery

Procedia PDF Downloads 13
5750 Bayes Estimation of Parameters of Binomial Type Rayleigh Class Software Reliability Growth Model using Non-informative Priors

Authors: Rajesh Singh, Kailash Kale

Abstract:

In this paper, the Binomial process type occurrence of software failures is considered and failure intensity has been characterized by one parameter Rayleigh class Software Reliability Growth Model (SRGM). The proposed SRGM is mathematical function of parameters namely; total number of failures i.e. η-0 and scale parameter i.e. η-1. It is assumed that very little or no information is available about both these parameters and then considering non-informative priors for both these parameters, the Bayes estimators for the parameters η-0 and η-1 have been obtained under square error loss function. The proposed Bayes estimators are compared with their corresponding maximum likelihood estimators on the basis of risk efficiencies obtained by Monte Carlo simulation technique. It is concluded that both the proposed Bayes estimators of total number of failures and scale parameter perform well for proper choice of execution time.

Keywords: binomial process, non-informative prior, maximum likelihood estimator (MLE), rayleigh class, software reliability growth model (SRGM)

Procedia PDF Downloads 389
5749 Theoretical Evaluation of Minimum Superheat, Energy and Exergy in a High-Temperature Heat Pump System Operating with Low GWP Refrigerants

Authors: Adam Y. Sulaiman, Donal F. Cotter, Ming J. Huang, Neil J. Hewitt

Abstract:

Suitable low global warming potential (GWP) refrigerants that conform to F-gas regulations are required to extend the operational envelope of high-temperature heat pumps (HTHPs) used for industrial waste heat recovery processes. The thermophysical properties and characteristics of these working fluids need to be assessed to provide a comprehensive understanding of operational effectiveness in HTHP applications. This paper presents the results of a theoretical simulation to investigate a range of low-GWP refrigerants and their suitability to supersede refrigerants HFC-245fa and HFC-365mfc. A steady-state thermodynamic model of a single-stage HTHP with an internal heat exchanger (IHX) was developed to assess system cycle characteristics at temperature ranges between 50 to 80 °C heat source and 90 to 150 °C heat sink. A practical approach to maximize the operational efficiency was examined to determine the effects of regulating minimum superheat within the process and subsequent influence on energetic and exergetic efficiencies. A comprehensive map of minimum superheat across the HTHP operating variables were used to assess specific tipping points in performance at 30 and 70 K temperature lifts. Based on initial results, the refrigerants HCFO-1233zd(E) and HFO-1336mzz(Z) were found to be closely aligned matches for refrigerants HFC-245fa and HFC-365mfc. The overall results show effective performance for HCFO-1233zd(E) occurs between 5-7 K minimum superheat, and HFO-1336mzz(Z) between 18-21 K dependant on temperature lift. This work provides a method to optimize refrigerant selection based on operational indicators to maximize overall HTHPs system performance.

Keywords: high-temperature heat pump, minimum superheat, energy & exergy efficiency, low GWP refrigerants

Procedia PDF Downloads 184
5748 Modelling and Optimization Analysis of Silicon/MgZnO-CBTSSe Tandem Solar Cells

Authors: Vallisree Sivathanu, Kumaraswamidhas Lakshmi Annamalai, Trupti Ranjan Lenka

Abstract:

We report a tandem solar cell model with Silicon as the bottom cell absorber material and Cu₂BaSn(S, Se)₄(CBTSSe) as absorber material for the top cell. As a first step, the top and bottom cells were modelled and validated by comparison with the experiment. Once the individual cells are validated, then the tandem structure is modelled with Indium Tin Oxide(ITO) as conducting layer between the top and bottom cells. The tandem structure yielded better open circuit voltage and fill factor; however, the efficiency obtained is 7.01%. The top cell and the bottom cells are investigated with the help of electron-hole current density, photogeneration rate, and external quantum efficiency profiles. In order to minimize the various loss mechanisms in the tandem solar cell, the material parameters are optimized within experimentally achievable limits. Initially, the top cell optimization was carried out; then, the bottom cell is optimized for maximizing the light absorption, and upon minimizing the current and photon losses in the tandem structure, the maximum achievable efficiency is predicted to be 19.52%.

Keywords: CBTSSe, silicon, tandem, solar cell, device modeling, current losses, photon losses

Procedia PDF Downloads 117
5747 Construction of Microbial Fuel Cells from Local Benthic Zones

Authors: Maria Luiza D. Ramiento, Maria Lissette D. Lucas

Abstract:

Electricity is said to serve as the backbone of modern technology. Considering this, electricity consumption has dynamically grown due to the continuous demand. An alternative producer of energy concerning electricity must therefore be given focus. Microbial fuel cell wholly characterizes a new method of renewable energy recovery: the direct conversion of organic matter to electricity using bacteria. Electricity is produced as fuel or new food is given to the bacteria. The study concentrated in determining the feasibility of electricity production from local benthic zones. Microbial fuel cells were constructed to harvest the possible electricity and to test the presence of electricity producing microorganisms. Soil samples were gathered from Calumpang River, Palawan Mangrove Forest, Rosario River and Batangas Port. Eleven modules were constructed for the different trials of the soil samples. These modules were made of cathode and anode chambers connected by a salt bridge. For 85 days, the harvested voltage was measured daily. No parameter is added for the first 24 days. For the next 61 days, acetic acid was included in the first and second trials of the modules. Each of the trials of the soil samples gave a positive result in electricity production.There were electricity producing microbes in local benthic zones. It is observed that the higher the organic content of the soil sample, the higher the electricity harvested from it. It is recommended to identify the specific species of the electricity-producing microorganism present in the local benthic zone. Complement experiments are encouraged like determining the kind of soil particles to test its effect on the amount electricity that can be harvested. To pursue the development of microbial fuel cells by building a closed circuit in it is also suggested.

Keywords: microbial fuel cell, benthic zone, electricity, reduction-oxidation reaction, bacteria

Procedia PDF Downloads 400
5746 The Role of NAD+ and Nicotinamide (Vitamin B3) in Glaucoma: A Literature Review

Authors: James Pietris

Abstract:

Glaucoma is a collection of irreversible optic neuropathies which, if left untreated, lead to severe visual field loss. These diseases are a leading cause of blindness across the globe and are estimated to affect approximately 80 million people, particularly women and people of Asian descent.1This represents a major burden on healthcare systems worldwide. Recently, there has been increasing interest in the potential of nicotinamide (vitamin B3) as a novel option in the management of glaucoma. This review aims to analyse the currently available literature to determine whether there is evidence of an association between nicotinamide adenine dinucleotide (NAD+) and glaucomatous optic neuropathy and whether nicotinamide has the potential to prevent or reverse these effects. The literature showed a strong connection between reduced NAD+ levels and retinal ganglion cell dysfunction through multiple different studies. There is also evidence of the positive effect of nicotinamide supplementation on retinal ganglion cell function in models of mouse glaucoma and in a study involving humans. Based on the literature findings, a recommendation has been made that more research into the efficacy, appropriate dosing, and potential side effects of nicotinamide supplementation is needed before it can be definitively determined whether it is appropriate for widespread prophylactic and therapeutic use against glaucoma in humans.

Keywords: glaucoma, nicotinamide, vitamin B3, optic neuropathy

Procedia PDF Downloads 106
5745 Wear Behavior of Grey Cast Iron Coated with Al2O3-13TiO2 and Ni20Cr Using Detonation Spray Process

Authors: Harjot Singh Gill, Neelkanth Grover, Jwala Parshad Singla

Abstract:

The main aim of this research work is to present the effect of coating on two different grades of grey cast iron using detonation spray method. Ni20Cr and Al2O3-13TiO2 powders were sprayed using detonation gun onto GI250 and GIHC substrates and the results as well as coating surface morphology of the coating is studied by XRD and SEM/EDAX analysis. The wear resistance of Ni20Cr and Al2O3-13TiO2 has been investigated on pin-on-disc tribometer using ASTM G99 standards. Cumulative wear rate and coefficient of friction (µ) were calculated under three normal load of 30N, 40N, 50N at constant sliding velocity of 1m/s. Worn out surfaces were analyzed by SEM/EDAX. The results show significant resistance to wear with Al2O3-13TiO2 coating as compared to Ni20Cr and bare substrates. SEM/EDAX analysis and cumulative wear loss bar charts clearly explain the wear behavior of coated as well as bare sample of GI250 and GIHC.

Keywords: detonation spray, grey cast iron, wear rate, coefficient of friction

Procedia PDF Downloads 367
5744 A Methodology for Seismic Performance Enhancement of RC Structures Equipped with Friction Energy Dissipation Devices

Authors: Neda Nabid

Abstract:

Friction-based supplemental devices have been extensively used for seismic protection and strengthening of structures, however, the conventional use of these dampers may not necessarily lead to an efficient structural performance. Conventionally designed friction dampers follow a uniform height-wise distribution pattern of slip load values for more practical simplicity. This can lead to localizing structural damage in certain story levels, while the other stories accommodate a negligible amount of relative displacement demand. A practical performance-based optimization methodology is developed to tackle with structural damage localization of RC frame buildings with friction energy dissipation devices under severe earthquakes. The proposed methodology is based on the concept of uniform damage distribution theory. According to this theory, the slip load values of the friction dampers redistribute and shift from stories with lower relative displacement demand to the stories with higher inter-story drifts to narrow down the discrepancy between the structural damage levels in different stories. In this study, the efficacy of the proposed design methodology is evaluated through the seismic performance of five different low to high-rise RC frames equipped with friction wall dampers under six real spectrum-compatible design earthquakes. The results indicate that compared to the conventional design, using the suggested methodology to design friction wall systems can lead to, by average, up to 40% reduction of maximum inter-story drift; and incredibly more uniform height-wise distribution of relative displacement demands under the design earthquakes.

Keywords: friction damper, nonlinear dynamic analysis, RC structures, seismic performance, structural damage

Procedia PDF Downloads 226
5743 Goblet cells and Mucin Related Gene Expression in Mice Infected with Eimeria papillata

Authors: Mohamed A. Dkhil, Denis Delic, Saleh Al-Quraishy

Abstract:

Coccidiosis causes considerable economic loss in the poultry industry. The current study aimed to investigate the response of goblet cells as well as the induced tissue damage during Eimeria papilata infection. Mice were infected with sporulated E. papillata oocyts. On day 5 post-infection, the fecal output was determined. Also, the jejunum was prepared for the histological, histochemical and molecular studies. Our results revealed that the intestinal coccidian infection with E. papillata induced a marked goblet cell hypoplasia and depleted mucus secretion. Also, the infection was able to alter the jejuna architecture and increased the apoptotic cells inside the villi. In addition, the real time PCR results indicated that, the inflammatory cytokines TNF-α, iNOS, IFN-y and IL-1β were significantly up-regulated. In contrast, the mRNA expression patterns of IL-6 in response to E. papillata infection did not differ significantly between control and infected mice. Moreover, the mRNA expression of TLR4 was significantly up-regulated, whereas the expression of MUC2 is significantly down-regulated upon infection. Further studies are required to understand the regulatory mechanisms of goblet cells related genes.

Keywords: goblet cells, Eimeria papillata, mice, jejunum

Procedia PDF Downloads 275
5742 Design of Geochemical Maps of Industrial City Using Gradient Boosting and Geographic Information System

Authors: Ruslan Safarov, Zhanat Shomanova, Yuri Nossenko, Zhandos Mussayev, Ayana Baltabek

Abstract:

Geochemical maps of distribution of polluting elements V, Cr, Mn, Co, Ni, Cu, Zn, Mo, Cd, Pb on the territory of the Pavlodar city (Kazakhstan), which is an industrial hub were designed. The samples of soil were taken from 100 locations. Elemental analysis has been performed using XRF. The obtained data was used for training of the computational model with gradient boosting algorithm. The optimal parameters of model as well as the loss function were selected. The computational model was used for prediction of polluting elements concentration for 1000 evenly distributed points. Based on predicted data geochemical maps were created. Additionally, the total pollution index Zc was calculated for every from 1000 point. The spatial distribution of the Zc index was visualized using GIS (QGIS). It was calculated that the maximum coverage area of the territory of the Pavlodar city belongs to the moderately hazardous category (89.7%). The visualization of the obtained data allowed us to conclude that the main source of contamination goes from the industrial zones where the strategic metallurgical and refining plants are placed.

Keywords: Pavlodar, geochemical map, gradient boosting, CatBoost, QGIS, spatial distribution, heavy metals

Procedia PDF Downloads 82
5741 Thermodynamic Analysis of a Vapor Absorption System Using Modified Gouy-Stodola Equation

Authors: Gulshan Sachdeva, Ram Bilash

Abstract:

In this paper, the exergy analysis of vapor absorption refrigeration system using LiBr-H2O as working fluid is carried out with the modified Gouy-Stodola approach rather than the classical Gouy-Stodola equation and effect of varying input parameters is also studied on the performance of the system. As the modified approach uses the concept of effective temperature, the mathematical expressions for effective temperature have been formulated and calculated for each component of the system. Various constraints and equations are used to develop program in EES to solve these equations. The main aim of this analysis is to determine the performance of the system and the components having major irreversible loss. Results show that exergy destruction rate is considerable in absorber and generator followed by evaporator and condenser. There is an increase in exergy destruction in generator, absorber and condenser and decrease in the evaporator by the modified approach as compared to the conventional approach. The value of exergy determined by the modified Gouy Stodola equation deviates maximum i.e. 26% in the generator as compared to the exergy calculated by the classical Gouy-Stodola method.

Keywords: exergy analysis, Gouy-Stodola, refrigeration, vapor absorption

Procedia PDF Downloads 401
5740 Blue Hydrogen Production Via Catalytic Aquathermolysis Coupled with Direct Carbon Dioxide Capture Via Adsorption

Authors: Sherif Fakher

Abstract:

Hydrogen has been gaining a lot of global attention as an uprising contributor in the energy sector. Labeled as an energy carrier, hydrogen is used in many industries and can be used to generate electricity via fuel cells. Blue hydrogen involves the production of hydrogen from hydrocarbons using different processes that emit CO₂. However, the CO₂ is captured and stored. Hence, very little environmental damage occurs during the hydrogen production process. This research investigates the ability to use different catalysts for the production of hydrogen from different hydrocarbon sources, including coal, oil, and gas, using a two-step Aquathermolysis reaction. The research presents the results of experiments conducted to evaluate different catalysts and also highlights the main advantages of this process over other blue hydrogen production methods, including methane steam reforming, autothermal reforming, and oxidation. Two methods of hydrogen generation were investigated including partial oxidation and aquathermolysis. For those two reactions, the reaction kinetics, thermodynamics, and medium were all investigated. Following this, experiments were conducted to test the hydrogen generation potential from both methods. The porous media tested were sandstone, ash, and prozzolanic material. The spent oils used were spent motor oil and spent vegetable oil from cooking. Experiments were conducted at temperatures up to 250 C and pressures up to 3000 psi. Based on the experimental results, mathematical models were developed to predict the hydrogen generation potential at higher thermodynamic conditions. Since both partial oxidation and aquathermolysis require relatively high temperatures to undergo, it was important to devise a method by which these high temperatures can be generated at a low cost. This was done by investigating two factors, including the porous media used and the reliance on the spent oil. Of all the porous media used, the ash had the highest thermal conductivity. The second step was the partial combustion of part of the spent oil to generate the heat needed to reach the high temperatures. This reduced the cost of the heat generation significantly. For the partial oxidation reaction, the spent oil was burned in the presence of a limited oxygen concentration to generate carbon monoxide. The main drawback of this process was the need for burning. This resulted in the generation of other harmful and environmentally damaging gases. Aquathermolysis does not rely on burning, which makes it the cleaner alternative. However, it needs much higher temperatures to run the reaction. When comparing the hydrogen generation potential for both using gas chromatography, aquathermolysis generated 23% more hydrogen using the same volume of spent oil compared to partial oxidation. This research introduces the concept of using spent oil for hydrogen production. This can be a very promising method to produce a clean source of energy using a waste product. This can also help reduce the reliance on freshwater for hydrogen generation which can divert the usage of freshwater to other more important applications.

Keywords: blue hydrogen production, catalytic aquathermolysis, direct carbon dioxide capture, CCUS

Procedia PDF Downloads 31
5739 An Energy Transfer Fluorescent Probe System for Glucose Sensor at Biomimetic Membrane Surface

Authors: Hoa Thi Hoang, Stephan Sass, Michael U. Kumke

Abstract:

Concanavalin A (conA) is a protein has been widely used in sensor system based on its specific binding to α-D-Glucose or α-D-Manose. For glucose sensor using conA, either fluoresence based techniques with intensity based or lifetime based are used. In this research, liposomes made from phospholipids were used as a biomimetic membrane system. In a first step, novel building blocks containing perylene labeled glucose units were added to the system and used to decorate the surface of the liposomes. Upon the binding between rhodamine labeled con A to the glucose units at the biomimetic membrane surface, a Förster resonance energy transfer system can be formed which combines unique fluorescence properties of perylene (e.g., high fluorescence quantum yield, no triplet formation) and its high hydrophobicity for efficient anchoring in membranes to form a novel probe for the investigation of sugar-driven binding reactions at biomimetic surfaces. Two glucose-labeled perylene derivatives were synthesized with different spacer length between the perylene and glucose unit in order to probe the binding of conA. The binding interaction was fully characterized by using high-end fluorescence techniques. Steady-state and time-resolved fluorescence techniques (e.g., fluorescence depolarization) in combination with single-molecule fluorescence spectroscopy techniques (fluorescence correlation spectroscopy, FCS) were used to monitor the interaction with conA. Base on the fluorescence depolarization, the rotational correlation times and the alteration in the diffusion coefficient (determined by FCS) the binding of the conA to the liposomes carrying the probe was studied. Moreover, single pair FRET experiments using pulsed interleaved excitation are used to characterize in detail the binding of conA to the liposome on a single molecule level avoiding averaging out effects.

Keywords: concanavalin A, FRET, sensor, biomimetic membrane

Procedia PDF Downloads 307
5738 Collision Avoidance Maneuvers for Vessels Navigating through Traffic Separation Scheme

Authors: Aswin V. J., Sreeja S., R. Harikumar

Abstract:

Ship collision is one of the major concerns while navigating in the ocean. In congested sea routes where there are hectic offshore operations, ships are often forced to take close encounter maneuvers. Maritime rules for preventing collision at sea are defined in the International Regulations for Preventing Collision at Sea. Traffic Separation Schemes (TSS) are traffic management route systems ruled by International Maritime Organization (IMO), where the traffic lanes indicate the general direction of traffic flow. The Rule 10 of International Regulations for Preventing Collision at Sea prescribes the conduct of vessels while navigating through TSS. But no quantitative criteria regarding the procedures to detect and evaluate collision risk is specified in International Regulations for Preventing Collision at Sea. Most of the accidents that occur are due to operational errors affected by human factors such as lack of experience and loss of situational awareness. In open waters, the traffic density is less when compared to that in TSS, and hence the vessels can be operated in autopilot mode. A collision avoidance method that uses the possible obstacle trajectories in advance to predict “collision occurrence” and can generate suitable maneuvers for collision avoidance is presented in this paper. The suitable course and propulsion changes that can be used in a TSS considering International Regulations for Preventing Collision at Sea are found out for various obstacle scenarios.

Keywords: collision avoidance, maneuvers, obstacle trajectories, traffic separation scheme

Procedia PDF Downloads 77
5737 Carbon Electrode Materials for Supercapacitors

Authors: Yu. Mateyshina, A. Ulihin, N. Uvarov

Abstract:

Supercapacitors are one of the most promising devices for energy storage applications as they can provide higher power density than batteries and higher energy density than conventional dielectric capacitors. Carbon materials with various microtextures are considered as main candidates for supercapacitors in terms of high surface area, interconnected pore structure, controlled pore size, high electrical conductivity and environmental friendliness. The specific capacitance (C) of the electrode material of the Electrochemical Double Layer Capacitors (EDLC) is known to depend on the specific surface area (Ss) and the pore structure. Activated carbons are most commonly used in supercapacitors because of their high surface area (Ss ≥ 1000 m2/g), good adhesion to electrolytes and low cost. In this work, electrochemical properties of new microporous and mesoporous carbon electrode materials were studied. The aim of the work was to investigate the relationship between the specific capacitance and specific surface area in a series of materials prepared from different organic precursors.. As supporting matrixes different carbon samples with Ss = 100-2000 m2/g were used. The materials were modified by treatment in acids (H2SO4, HNO3, acetic acid) in order to enable surface hydrophilicity. Then nanoparticles of transition metal oxides (for example NiO) were deposited on the carbon surfaces using methods of salts impregnation, mechanical treatment in ball mills and the precursors decomposition. The electrochemical characteristics of electrode hybrid materials were investigated in a symmetrical two-electrode cell using an impedance spectroscopy, voltammetry in both potentiodynamic and galvanostatic modes. It was shown that the value of C for the materials under study strongly depended on the preparation method of the electrode and the type of electrolyte (1 M H2SO4, 6 M KOH, 1 M LiClO4 in acetonitryl). Specific capacity may be increased by the introduction of nanoparticles from 50-100 F/g for initial carbon materials to 150-300 F/g for nanocomposites which may be used in supercapacitors. The work is supported by the по SC-14.604.21.0013.

Keywords: supercapacitors, carbon electrode, mesoporous carbon, electrochemistry

Procedia PDF Downloads 305
5736 Calculation of Electronic Structures of Nickel in Interaction with Hydrogen by Density Functional Theoretical (DFT) Method

Authors: Choukri Lekbir, Mira Mokhtari

Abstract:

Hydrogen-Materials interaction and mechanisms can be modeled at nano scale by quantum methods. In this work, the effect of hydrogen on the electronic properties of a cluster material model «nickel» has been studied by using of density functional theoretical (DFT) method. Two types of clusters are optimized: Nickel and hydrogen-nickel system. In the case of nickel clusters (n = 1-6) without presence of hydrogen, three types of electronic structures (neutral, cationic and anionic), have been optimized according to three basis sets calculations (B3LYP/LANL2DZ, PW91PW91/DGDZVP2, PBE/DGDZVP2). The comparison of binding energies and bond lengths of the three structures of nickel clusters (neutral, cationic and anionic) obtained by those basis sets, shows that the results of neutral and anionic nickel clusters are in good agreement with the experimental results. In the case of neutral and anionic nickel clusters, comparing energies and bond lengths obtained by the three bases, shows that the basis set PBE/DGDZVP2 is most suitable to experimental results. In the case of anionic nickel clusters (n = 1-6) with presence of hydrogen, the optimization of the hydrogen-nickel (anionic) structures by using of the basis set PBE/DGDZVP2, shows that the binding energies and bond lengths increase compared to those obtained in the case of anionic nickel clusters without the presence of hydrogen, that reveals the armor effect exerted by hydrogen on the electronic structure of nickel, which due to the storing of hydrogen energy within nickel clusters structures. The comparison between the bond lengths for both clusters shows the expansion effect of clusters geometry which due to hydrogen presence.

Keywords: binding energies, bond lengths, density functional theoretical, geometry optimization, hydrogen energy, nickel cluster

Procedia PDF Downloads 422