Search results for: energy standards

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

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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

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Authors: Muhammad Afiq Anaqi Bin Baharudin, Muhammad Izamuddin Bin Mohd Nasir, Syarifuddin Bin Sujuanda, Muhammad Syahmi Rusyaidi Bin Sham Suddin, Danish Hakimi Bin kamaruzaman, Muhammad Haqimi Nazim Bin Hasmanizam, Mohammad Akmal Zakwan Bin Amran, Muhammad Alparizi Bin Latif

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In particular, for small and medium enterprises (SMBs) in Malaysia, process safety management (PSM) is a crucial component of industrial safety. Limited resources, a lack of technical know-how, and linguistic and cultural obstacles are just a few of the difficulties SMBs in Malaysia encounter while putting PSM programmes into practice. A number of studies have emphasised the significance of leadership commitment, hazard identification and assessment, and employee involvement in the execution of effective PSM programmes, which are crucial for preventing accidents and incidents. In the literature, there has been a lot of discussion on the creation of specialised PSM frameworks for SMBs in Malaysia. Several studies have proposed implementation frameworks for PSM programmes that are based on recognised worldwide standards. Despite the significance of PSM in ensuring industrial safety, there are still a number of gaps in the literature on PSM in Malaysian SMBs. These gaps include the need for additional research on the efficiency of PSM programmes in reducing accidents and incidents in SMBs as well as the development of more specialised approaches to implementing PSM programmes in SMBs with limited resources and technical expertise. The goal of this review is to give a thorough overview of the body of research on PSM in Malaysian SMBs while highlighting important findings, points of contention, and knowledge gaps that need to be filled in.

Keywords: process safety management, occupational safety and health (OSH), small businesses, medium businesses, malaysia

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

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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

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Authors: Vishal Mahale, Jayashree Bijwe, Sujeet K. Sinha

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Nowadays extensive research is going on in the field of friction materials (FMs) for development of eco-friendly brake-materials by removing copper as it is a proven threat to the aquatic organisms. Researchers are keen to find the solution for copper-free FMs by using different metals or without metals. Steel wool is used as a reinforcement in non-asbestos organic (NAO) FMs mainly for increasing thermal conductivity, and it affects wear adversely, most of the times and also adds friction fluctuations. Copper and brass used to be the preferred choices because of superior performance in almost every aspect except cost. Since these are being phased out because of a proven threat to the aquatic life. Keeping this in view, a series of realistic multi-ingredient FMs containing stainless steel (SS) swarfs as a theme ingredient in increasing amount (0, 5, 10 and 15 wt. %- S₅, S₁₀, and S₁₅) were developed in the form of brake-pads. One more composite containing copper instead of SS swarfs (C₁₀) was developed. These composites were characterized for physical, mechanical, chemical and tribological performance. Composites were tribo-evaluated on a chase machine with various test loops as per SAE J661 standards. Various performance parameters such as normal µ, hot µ, performance µ, fade µ, recovery µ, % fade, % recovery, wear resistance, etc. were used to evaluate the role of amount of SS swarfs in FMs. It was concluded that SS swarfs proved successful in Cu replacement almost in all respects except wear resistance. With increase in amount of SS swarfs, most of the properties improved. Worn surface analysis and wear mechanism were studied using SEM and EDAX techniques.

Keywords: Chase type friction tester, copper-free, non-asbestos organic (NAO) friction materials, stainless steel swarfs

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Authors: Sankha Chakrabortty, Biswajit Ruj, Parimal Pal

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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

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Authors: M. Mashiur Rahman, Ulrik Birk Henriksen, Jesper Ahrenfeldt, Maria Puig Arnavat

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Using biomass gasification to make producer gas is one of the promising sustainable energy options available for small scale plant and rural applications for power and electricity. Tar content in producer gas is the main problem if it is used directly as a fuel. A low-tar biomass (LTB) gasifier of approximately 30 kW capacity has been developed to solve this. Moving bed gasifier with internal recirculation of pyrolysis gas has been the basic principle of the LTB gasifier. The gasifier focuses on the concept of mixing the pyrolysis gases with gasifying air and burning the mixture in separate combustion chamber. Five tests were carried out with the use of wood pellets and wood chips separately, with moisture content of 9-34%. The LTB gasifier offers excellent opportunities for handling extremely low-tar in the producer gas. The gasifiers producer gas had an extremely low tar content of 21.2 mg/Nm³ (avg.) and an average lower heating value (LHV) of 4.69 MJ/Nm³. Tar content found in different tests in the ranges of 10.6-29.8 mg/Nm³. This low tar content makes the producer gas suitable for direct use in internal combustion engine. Using mass and energy balances, the average gasifier capacity and cold gas efficiency (CGE) observed 23.1 kW and 82.7% for wood chips, and 33.1 kW and 60.5% for wood pellets, respectively. Average heat loss in term of higher heating value (HHV) observed 3.2% of thermal input for wood chips and 1% for wood pellets, where heat loss was found 1% of thermal input in term of enthalpy. Thus, the LTB gasifier performs better compared to typical gasifiers in term of heat loss. Equivalence ratio (ER) in the range of 0.29 to 0.41 gives better performance in terms of heating value and CGE. The specific gas production yields at the above ER range were in the range of 2.1-3.2 Nm³/kg. Heating value and CGE changes proportionally with the producer gas yield. The average gas compositions (H₂-19%, CO-19%, CO₂-10%, CH₄-0.7% and N₂-51%) obtained for wood chips are higher than the typical producer gas composition. Again, the temperature profile of the LTB gasifier observed relatively low temperature compared to typical moving bed gasifier. The average partial oxidation zone temperature of 970°C observed for wood chips. The use of separate combustor in the partial oxidation zone substantially lowers the bed temperature to 750°C. During the test, the engine was started and operated completely with the producer gas. The engine operated well on the produced gas, and no deposits were observed in the engine afterwards. Part of the producer gas flow was used for engine operation, and corresponding electrical power was found to be 1.5 kW continuously, and maximum power of 2.5 kW was also observed, while maximum generator capacity is 3 kW. A thermodynamic equilibrium model is good agreement with the experimental results and correctly predicts the equilibrium bed temperature, gas composition, LHV of the producer gas and ER with the experimental data, when the heat loss of 4% of the energy input is considered.

Keywords: biomass gasification, low-tar biomass gasifier, tar elimination, engine, deposits, condensate

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Authors: Mahsa Kallhor Mohammadi, Hamideh Reshadatjoo

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This study verified the relationship between in-service training and employees’ feeling of psychological ownership. This research applied a descriptive survey that investigated a correlation between variables. The target population was 140 employees of a Drilling Fluid and Waste Management Service Company, and the sample was 123 employees who were selected randomly and encouraged to complete an electronic questionnaire which was designed based on standard questionnaires for research variables covering 62 questions. The face validity of the questionnaire was supported by an experimental test, and its content validity was approved by the thesis supervisor and consulting advisor. For the descriptive statistics frequency tables and diagrams, measures of central tendency such as mode, median, and mean and measures of variability such as variance, standards deviation, and quartile deviation were used. In the inferential statistics section, the Pearson correlation coefficient was used to verify the relationship between the variables of the research. According to the results, all of the research hypotheses were supported. According to hypothesis 1, there was a positive and significant relationship between training policy-making and employees’ psychological ownership (r=0/408, α=0/05). According to hypothesis 2, there was a positive and significant relationship between training planning and employees’ psychological ownership (r=0/446, α=0/05). According to hypothesis 3, there was a positive and significant relationship between providing the training and employees’ psychological ownership (r=0/512, α=0/05). According to hypothesis 4, there was a positive and significant relationship between training performance management and employees’ psychological ownership (r=0/462, α=0/05). According to hypothesis 5, there was a positive and significant relationship between employees’ motivation and psychological ownership (r=0/694, α=0/05). Therefore, through systematic in-service training, which is in the same line with the strategic goals of an organization and is based on scientific needs analysis, design, implementation, and evaluation, it is possible to improve employees’ sense of psychological ownership toward an organization.

Keywords: in-service training, motivation, organizational behavior, psychological ownership

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Authors: Jingwei Du

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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

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

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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

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Authors: Fangyuan Shao, Wei Liu, Deli Gao

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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

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Authors: Nerissa Gloria Balboa, Aire Yukdawan, Venice Gordula, Rhea Jannagen Curva

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This research examined the lived experiences and compared their similarities and differences of former Catholics turned Muslim converts in and out of prison. Qualitative comparative study with an Interpretative Phenomenological Analysis approach was used to explore the lives of Muslim converts. Interviews were conducted at Islamic Studies, Call and Guidance of the Philippines (ISCAG) and Tarbiyyah Islamic Female Institute for Muslim converts out of prison, New Bilibid Prison (NBP) and Correctional Institution for Women (CIW) for Muslim converts in prison. Results of the study show that first, for Muslim converts out of prison, exploration begins through (1) experiences of Catholicism as a norm in the family and eventual realization of its emptiness in practice, (2) experiences of Islam as a norm in the environment and discovery of meaningfulness of Islam (3) experiences of gradual holistic transformation of being a Muslim; and (4) experiences of extension of oneself towards family and society. Secondly, for Muslim converts in prison, exploration begins through (1) experiences of Apathy towards Catholicism and eventual deviation from moral standards, (2) experiences of prison condition as an environment of reflection on spirituality; and (3) experiences of positive effects of being a Muslim inside Prison. Comparisons show that there exists similarities and differences across the two settings in terms of (1) experiences of Catholicism and the degree of its internalization and actualization, (2) experiences of Islamic encounters and the process of conversion; and (3) experience of Islamic devotion and Islamic construct for the self. Theoretical bases of religious conversion found in unique contexts are discussed, initiating a paradigm shift of thinking that is needed to address the deeply rooted prejudices within Catholic and Islamic circles.

Keywords: Catholicism, Islamic conversion, social psychology, religion

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Authors: Prathyusha Samvedam, Hiranmaya Nanda

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Doping refers to the practice of using drugs or practices that enhance an athlete's performance. This is a problem that occurs on a worldwide scale and compromises the fairness of athletic tournaments. There are rules that have been created on both the national and international levels in order to prevent doping. However, these rules sometimes contradict one another, and it is possible that they don't do a very good job of prohibiting people from using PEDs. This study will contend that India's inability to comply with specific Code criteria, as well as its failure to satisfy "best practice" standards established by other countries, demonstrates a lack of uniformity in the implementation of anti-doping regulations and processes among nations. Such challenges have the potential to undermine the validity of the anti-doping system, particularly in developing nations like India. This article on the legislative framework in India governing doping in sports is very important. To begin, doping in sports is a significant problem that affects the spirit of fair play and sportsmanship. Moreover, it has the potential to jeopardize the integrity of the sport itself. In addition, the research has the potential to educate policymakers, sports organizations, and other stakeholders about the current legal framework and how well it discourages doping in athletic competitions. This article is divided into four distinct sections. The first section offers an explanation of what doping is and provides some context about its development throughout time. Followed the role of anti-doping authorities and the responsibilities they perform are investigated. Case studies and the research technique that will be employed for the study are in the third section; finally, the results are presented in the last section. In conclusion, doping is a severe problem that endangers the honest competition that exists within sports.

Keywords: sports law, doping, NADA, WADA, performance enhancing drugs, anti-doping bill 2022

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Authors: Mahesh Kumar Jat, Manisha Choudhary

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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

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Authors: K. Hinde, R. Bookun, P. Tran

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Percutaneous CT guided biopsies provide a fast, minimally invasive, cost effective and safe method for obtaining tissue for histopathology and culture. Standards for diagnostic yield vary depending on whether the tissue is being obtained for histopathology or culture. We present a retrospective audit from Western Health in Melbourne Australia over a 12-month period which aimed to determine the diagnostic yield, technical success and complication rate for CT guided bone biopsies and identify factors affecting these results. The digital imaging storage program (Synapse Picture Archiving and Communication System – Fujifilm Australia) was analysed with key word searches from October 2015 to October 2016. Nineteen CT guided bone biopsies were performed during this time. The most common referring unit was oncology, work up imaging included CT, MRI, bone scan and PET scan. The complication rate was 0%, overall diagnostic yield was 74% with a technical success of 95%. When performing biopsies for histologic analysis diagnostic yield was 85% and when performing biopsies for bacterial culture diagnostic yield was 60%. There was no significant relationship identified between size of lesion, distance of lesion to skin, lesion appearance on CT, the number of samples taken or gauge of needle to diagnostic yield or technical success. CT guided bone biopsy at Western Health meets the standard reported at other major clinical centres for technical success and safety. It is a useful investigation in identification of primary malignancy in distal bone metastases.

Keywords: bone biopsy, computed tomography, core biopsy, histopathology

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Authors: Chandan Deep Singh

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In present days, companies are facing the rapid competition in terms of customer requirements to be satisfied, new technologies to be integrated into future products, new safety regulations to be followed, new computer-based tools to be introduced into design activities that becomes more scientific. In today’s highly competitive market, survival focuses on various factors such as quality, innovation, adherence to standards, and rapid response as the basis for competitive advantage. For competitive advantage, companies have to produce various competencies: for improving the capability of suppliers and for strengthening the process of integrating technology. For more competitiveness, organizations should operate in a strategy driven way and have a strategic architecture for developing core competencies. Traditional ways to take such experience and develop competencies tend to take a lot of time and they are expensive. A new learning environment, which is built around a gaming engine, supports the development of competences in specific subject areas. Technology competencies have a significant role in firm innovation and competitiveness; they interact with the competitive environment. Technological competencies vary according to the type of competitive environment, thus enhancing firm innovativeness. Technological competency is gained through extensive experimentation and learning in its research, development and employment in manufacturing. This is a review paper based on competency and strategic success of automobile industry. The aim here is to study strategy formulation and competency tools in the industry. This work is a review of literature related to competency and strategy in automobile industry. This study involves review of 34 papers related to competency and strategy.

Keywords: manufacturing competency, strategic success, competitiveness, strategy formulation

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

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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

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Authors: Pouira Askary

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Indeed, in our globalized world which is facing with various international crises, the transnational corporations and other business enterprises have the capacity to foster economic well-being, development, technological improvement and wealth, as well as causing adverse impacts on human rights. The UN Human Rights Council declared that although the primary responsibility to protect human rights lie with the State but the transnational corporations and other business enterprises have also a responsibility to respect and protect human rights in the framework of corporate social responsibility. In 2011, the Human Rights Council endorsed the Guiding Principles on Business and Human Rights, a set of guidelines that define the key duties and responsibilities of States and business enterprises with regard to business-related human rights abuses. In UN’s view, the Guiding Principles do not create new legal obligations but constitute a clarification of the implications of existing standards, including under international human rights law. In 2014 the UN Human Rights Council decided to establish a working group on transnational corporations and other business enterprises whose mandate shall be to elaborate an international legally binding instrument to regulate, in international human rights law, the activities of transnational corporations and other business enterprises. Extremely difficult task for the working group to codify a legally binding document to regulate the behavior of corporations on the basis of the norms of international law! Concentration of this paper is on the origins of those human rights applicable on business enterprises. The research will discuss that the social and ethical roots of the CSR are much more institutionalized and elaborated than the legal roots. Therefore, the first step is to determine whether and to what extent corporations, do have an ethical responsibility to respect human rights and if so, by which means this ethical and social responsibility is convertible to legal commitments.

Keywords: CSR, ethics, international law, human rights, development, sustainable business

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Authors: Irfan Ameer

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Bribery control in developing countries is the biggest challenge for multinational enterprises (MNEs). Bribery practices are socially embedded and institutionalized, and therefore may achieve collective legitimacy in the society. MNEs often have better and strict norms, codes and standards about such corrupt practices. Bribery in B2B sales relationships has been researched but studies focusing on the role of firm in controlling bribery are scarce. The main objective of this paper is to explore MNEs strategies to control bribery in an environment where bribery is institutionalized. This qualitative study uses narrative approach and focuses on key events, actors and their role in controlling bribery in B2B sales relationships. The context of this study is pharmaceutical industry of Pakistan and data is collected through 23 episodic interviews supported by secondary data. The Corporate social responsibility (CSR) literature e.g. CSR three domain model and CSR pyramid is used to make sense of MNEs strategies to control bribery in developing countries. Results show that MNEs’ bribery control strategies are rather emerging based on the role of some key stakeholders and events which shape bribery strategies. Five key bribery control strategies were found through which MNEs can control both demand and supply side of bribery: bribery related codes development; bribery related codes implementation; focusing on competitive advantage; find mutually beneficial ethical solution; and collaboration with ethical stakeholders. The results also highlight the problems associated with each strategy. Study is unique in a sense that it focuses on stakeholders having unethical interests and provides guidelines to MNEs in controlling bribery practices in B2B sales relationships.

Keywords: bribery, developing countries, CSR, narrative research, B2B sales, MNEs

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Authors: Christianah Adebimpe Dare, Nelson Oghenebrorhie Elvis

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This study was aimed at analysing the phytochemicals in Chrysophyllum albidum cotyledon extract and their in vitro antioxidant and anti-inflammatory effects. The star apple fruit was bought at Igbona market Osogbo, Osun State, Nigeria. The seed from the fruit was removed and defatted. The residue was exhaustively extracted with methanol. The Chrysophyllum albidum cotyledon methanol extract (CCME) was phytochemically screened, flavonoids and phenol contents, antioxidant and anti-inflammatory assays were carried out on the extract using standard procedures. Phytochemicals analysis revealed the presence of steroids, tannins, flavonoid, saponin, triterpenes, and xanthoproteins. The phenolic concentration, total flavonoids concentration, and total sugar concentration were found to be 26.72 ± 0.048 µgTAE/mg, 23.12 ± 1.92µg of Rutin equivalent (RTE)/mg (10.49 ± 1.12µg of Quercetin equivalent (QE/mg) and 778.38 ± 12.82 µg of glucose/ml, respectively. The extract demonstrated significant inhibitory effect compared with the standards as potent antioxidant with percentage inhibition of DPPH as 38.10 %-39.51 %, lipid peroxidation as 45.85 %-65.85 %; ferric reducing power showed linear correlation to the standard and the anti-inflammatory potential with 22.06 %-26.37 % protection of the human red blood membrane and the percentage inhibition of denaturation of albumin 3.42 %-7.32 %. The study showed that C. albidum cotyledon methanol extract is a potent antioxidant and anti-inflammatory agent to combat oxidative stress and pathological diseases caused by reactive species.

Keywords: albumin denaturation, free radicals, lipid peroxidation, reactive species

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Authors: Fangyan Li, Lin Min Lee, Hui Zhu Peh, Shoet Harn Chan

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Advantame, a derivative of aspartame, is the latest addition to a family of low caloric and high potent dipeptide sweeteners which include aspartame, neotame and alitame. The use of advantame as a high-intensity sweetener in food was first accepted by Food Standards Australia New Zealand in 2011 and subsequently by US and EU food authorities in 2014, with the results from toxicity and exposure studies showing advantame poses no safety concern to the public at regulated levels. To our knowledge, currently there is barely any detailed information on the analytical method of advantame in food matrix, except for one report published in Japanese, stating a high performance liquid chromatography (HPLC) and liquid chromatography/ mass spectrometry (LC-MS) method with a detection limit at ppm level. However, the use of acid in sample preparation and instrumental analysis in the report raised doubt over the reliability of the method, as there is indication that stability of advantame is compromised under acidic conditions. Besides, the method may not be suitable for analyzing food matrices containing advantame at low ppm or sub-ppm level. In this presentation, a simple, specific and sensitive method for the determination of advantame in food is described. The method involved extraction with water and clean-up via solid phase extraction (SPE) followed by detection using liquid chromatography tandem mass spectrometry (LC-MS/MS) in negative electrospray ionization mode. No acid was used in the entire procedure. Single laboratory validation of the method was performed in terms of linearity, precision and accuracy. A low detection limit at ppb level was achieved. Satisfactory recoveries were obtained using spiked samples at three different concentration levels. This validated method could be used in the routine inspection of the advantame level in food.

Keywords: advantame, food, LC-MS/MS, sweetener

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

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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

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Authors: Larry E. Udu, Joseph N. Edeh

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Unarguably, the land is an indispensable factor of production and has been instrumental to numerous conflicts between crop farmers and herders in Nigeria. The conflicts pose a grave challenge to life and property, food security and ultimately to sustainable socio-economic development of the nation. The paper examines the causes of the Fulani herders/farmers conflicts, particularly in the Middle Belt; numerity of occurrences and extent of damage and their socio-economic implications. Content Analytical Approach was adopted as methodology wherein data was extensively drawn from the secondary source. Findings reveal that major causes of the conflict are attributable to violation of tradition and laws, trespass and cultural factors. Consequently, the numerity of attacks and level of fatality coupled with displacement of farmers, destruction of private and public facilities impacted negatively on farmers output with their attendant socio-economic implications on sustainable livelihood of the people and the nation at large. For instance, Mercy Corps (a Global Humanitarian Organization) in its research, 2013-2016 asserts that a loss of $14billion within 3 years was incurred and if the conflict were resolved, the average affected household could see increase income by at least 64 percent and potentially 210 percent or higher and that states affected by the conflicts lost an average of 47 percent taxes/IGR. The paper therefore recommends strict adherence to grazing laws; platform for dialogue bothering on compromises where necessary and encouragement of cattle farmers to build ranches for their cattle according to international standards.

Keywords: conflict, farmers, herders, Nigeria, socio-economic implications

Procedia PDF Downloads 207

Authors: Neda Nabid

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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

Authors: Milda A. Cruz-Huaranga, Natalí Carbo-Bustinza, Javier Linkolk López-Gonzales, K. Depaz, Gina M. Tito T., Soledad Torres-Calderón

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The objective of this study was to improve water quality in the “La Mansión” pond in order to irrigate green spaces on the Peruvian Union University campus (Lima, Peru) using the aquatic species Eichhornia Crassipes. Furthermore, tree trimming and cleaning activities were performed that reduced water pollution caused by organic deposits and feathers from wild birds. The impaired waterbody is located on the campus of the Peruvian Union University, 580 meters above sea level, with a volume of 6,405.336 m3, an area of 3,050.16 m2, 256.81 m perimeter, and 0.12 m3/s input flow. Seven 1.8 m2 floating systems were implemented, with 12 common water hyacinth plants in each system. Before implementing this system, a water quality analysis was performed to analyse the physical-chemical, microbiological, and organoleptic parameters. The pre-analysis revealed the pond’s critical condition, with electrical conductivity: 556 mg/l; phosphate: < 0.5; pH: 7.06; total solids: 412 mg/l; arsenic: <0.01; lead: 0.115; BOD5: 14; COD: 16.94; dissolved oxygen: 13; total coliforms: 24000 MCL/100 ml; and thermo-tolerant coliforms: 11000 MCL/100 ml. After implementing the system, the following results were obtained: EC: 495 mg/l; DO:9.2 mg/l; TS: 235 mg/l; BOD5: 7.7; COD: 8.47; Pb: 0.001 mg/l; TC: 460 MCL/100 ml; FC: 240 MCL/100 ml. Thus, we confirmed that the system is 78.79% efficient regarding the Peruvian ECA (Environmental Quality Standards) established for water according to DS #015-2015-MINAM. Therefore, the water is suitable for plant irrigation. Finally, we concluded that treating wastewater with the species Eichhornia Crassipes is efficient since an improvement was achieved in the impaired waterbody.

Keywords: Eichhornia crassipes, plantlets, cleaning, impaired waterbody, pond

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Authors: Sherif Fakher

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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

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

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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

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Authors: Bongsik Park, Jae Hyun Park, Jae-Yeol Cho

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Mixed structure, which is a kind of hybrid system, is incorporating steel beam and prestressed concrete beam. Hybrid bridge adopting mixed structure have some merits. Main span length can be made longer by using steel as main span material. In case of cable-stayed bridge having asymmetric span length, negative reaction at side span can be restrained without extra restraining devices by using weight difference between main span material and side span material. However angle of refraction might happen because of rigidity difference between materials and stress concentration also might happen because of abnormal loading transmission at joint in the hybrid bridge. Therefore the joint might be a weak point of the structural system and it needs to pay attention to design of the joint. However, design codes and standards about the joint in the hybrid-bridge have not been established so the joint designs in most of construction cases have been very conservative or followed previous design without extra verification. In this study parametric study using finite element analysis for optimal design of hybrid bridge joint is conducted. Before parametric study, finite element analysis was conducted based on previous experimental data and it is verified that analysis result approximated experimental data. Based on the finite element analysis results, parametric study was conducted. The parameters were selected as those have influences on joint behavior. Based on the parametric study results, optimal design of hybrid bridge joint has been determined.

Keywords: parametric study, optimal design, hybrid bridge, finite element analysis

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

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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

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Authors: Mahfoodh Saleh Al Sabbagh, Amitabh Mishra, Anwar Al Sheyadi

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A tremendous transformation is taking place in the state of education in Sultanate of Oman. The vision 2040 for Higher Education focuses on both academic and technical sides of education aims at improving the quality of education as per higher international standards with emphasis on learning and innovation, creativity and scientific research. The objective is to achieve a proficient education system that keeps abreast of the recent development, the essentials of sustainable development and enhancing the national identity. Higher Education Institutes have contributed immensely to the growth of education in Oman, in this context; Business Organization represents the most complex social structure known today due to its dynamic nature. Employees are considered as one of the dynamic resources of the organization and through their commitment and involvement organization becomes competitive. Organization Culture can be promoted to facilitate the achievement of job satisfaction and employees commitment. The purpose of the research is to explore the impact of Higher Educational Institutions Culture on employee satisfaction, and commitment. Based on primary data, the study was conducted in Higher Education Institutions in the Sultanate of Oman. Data was collected through questionnaire consisting of 60 questions related to culture, satisfaction, and commitment. The sample consisted of 330 employees of leading Higher Education Institutes in the Sultanate of Oman. Structural Equation Modeling was carried out on the data through SPSS and AMOS. Results indicate that culture of organization is significantly related with employees’ satisfaction and commitment both in direct and indirect ways. Significant theoretical and practical implications are driven from the outcomes of the study.

Keywords: organization culture, employee satisfaction and commitment, higher education, Sultanate of Oman

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Authors: Choukri Lekbir, Mira Mokhtari

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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