Search results for: cost efficient
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 9958

Search results for: cost efficient

2398 Study on Capability of the Octocopter Configurations in Finite Element Analysis Simulation Environment

Authors: Jeet Shende, Leonid Shpanin, Misko Abramiuk, Mattew Goodwin, Nicholas Pickett

Abstract:

Energy harvesting on board the Unmanned Ariel Vehicle (UAV) is one of the most rapidly growing emerging technologies and consists of the collection of small amounts of energy, for different applications, from unconventional sources that are incidental to the operation of the parent system or device. Different energy harvesting techniques have already been investigated in the multirotor drones, where the energy collected comes from the systems surrounding ambient environment and typically involves the conversion of solar, kinetic, or thermal energies into electrical energy. The energy harvesting from the vibrated propeller using the piezoelectric components inside the propeller has also been proven to be feasible. However, the impact on the UAV flight performance using this technology has not been investigated. In this contribution the impact on the multirotor drone operation has been investigated at different flight control configurations which support the efficient performance of the propeller vibration energy harvesting. The industrially made MANTIS X8-PRO octocopter frame kit was used to explore the octocopter operation which was modelled using SolidWorks 3D CAD package for simulation studies. The octocopter flight control strategy is developed through integration of the SolidWorks 3D CAD software and MATLAB/Simulink simulation environment for evaluation of the octocopter behaviour under different simulated flight modes and octocopter geometries. Analysis of the two modelled octocopter geometries and their flight performance is presented via graphical representation of simulated parameters. The possibility of not using the landing gear in octocopter geometry is demonstrated. The conducted study evaluates the octocopter’s flight control technique and its impact on the energy harvesting mechanism developed on board the octocopter. Finite Element Analysis (FEA) simulation results of the modelled octocopter in operation are presented exploring the performance of the octocopter flight control and structural configurations. Applications of both octocopter structures and their flight control strategy are discussed.

Keywords: energy harvesting, flight control modelling, object modeling, unmanned aerial vehicle

Procedia PDF Downloads 51
2397 Using Urban Conversion to Green Public Space as a Tool to Generate Urban Change: Case of Seoul

Authors: Rachida Benabbou, Sang Hun Park, Hee Chung Lee

Abstract:

The world’s population is increasing with unprecedented speed, leading to fast growing urbanization pace. Cities since the Industrial revolution had evolved to fit the growing demand on infrastructure, roads, transportation, and housing. Through this evolution, cities had grown into grey, polluted, and vehicle-oriented urban areas with a significant lack of green spaces. Consequently, we ended up with low quality of life for citizens. Therefore, many cities, nowadays, are revising the way we think urbanism and try to grow into more livable and citizen-friendly, by creating change from the inside out. Thus, cities are trying to bring back nature in its crowded grey centers and regenerate many urban areas as green public spaces not only as a way to give new breath to the city, but also as a way to create change either in the environmental, social and economic levels. The city of Seoul is one of the fast growing global cities. Its population is over 12 million and it is expected to continue to grow to a point where the quality of life may seriously deteriorate. As most green areas in Seoul are located in the suburbs in form of mountains, the city’s urban areas suffer from lack of accessible green spaces in a walking distance. Understanding the gravity and consequences of this issue, Seoul city is undergoing major changes. Many of its projects are oriented to be green public spaces where citizens can enjoy the public life in healthy outdoors. The aim of this paper is to explore the results of urban conversions into green public spaces. Starting with different locations, nature, size, and scale, these conversions can lead to significant change in the surrounding areas, thus can be used as an efficient tool of regeneration for urban areas. Through a comparative analysis of three different types of urban conversions projects in the city of Seoul, we try to show the positive urban influence of the outcomes, in order to encourage cities to use green spaces as a strategic tool for urban regeneration and redevelopment.

Keywords: urban conversion, green public space, change, urban regeneration

Procedia PDF Downloads 290
2396 Sustainable Approach to Fabricate Titanium Nitride Film on Steel Substrate by Using Automotive Plastics Waste

Authors: Songyan Yin, Ravindra Rajarao, Veena Sahajwalla

Abstract:

Automotive plastics waste (widely known as auto-fluff or ASR) is a complicated mixture of various plastics incorporated with a wide range of additives and fillers like titanium dioxide, magnesium oxide, and silicon dioxide. Automotive plastics waste is difficult to recycle and its landfilling poses the significant threat to the environment. In this study, a sustainable technology to fabricate protective nanoscale TiN thin film on a steel substrate surface by using automotive waste plastics as titanium and carbon resources is suggested. When heated automotive plastics waste with steel at elevated temperature in a nitrogen atmosphere, titanium dioxide contented in ASR undergo carbothermal reduction and nitridation reactions on the surface of the steel substrate forming a nanoscale thin film of titanium nitride on the steel surface. The synthesis of TiN film on steel substrate under this technology was confirmed by X-ray photoelectron spectrometer, high resolution X-ray diffraction, field emission scanning electron microscope, a high resolution transmission electron microscope fitted with energy dispersive X-ray spectroscopy, and inductively coupled plasma mass spectrometry techniques. This sustainably fabricated TiN film was verified of dense, well crystallized and could provide good oxidation resistance to the steel substrate. This sustainable fabrication technology is maneuverable, reproducible and of great economic and environmental benefit. It not only reduces the fabrication cost of TiN coating on steel surface, but also provides a sustainable environmental solution to recycling automotive plastics waste. Moreover, high value copper droplets and char residues were also extracted from this unique fabrication process.

Keywords: automotive plastics waste, carbonthermal reduction and nitirdation, sustainable, TiN film

Procedia PDF Downloads 378
2395 Effect of Floods on Water Quality: A Global Review and Analysis

Authors: Apoorva Bamal, Agnieszka Indiana Olbert

Abstract:

Floods are known to be one of the most devastating hydro-climatic events, impacting a wide range of stakeholders in terms of environmental, social and economic losses. With difference in inundation durations and level of impact, flood hazards are of different degrees and strength. Amongst various set of domains being impacted by floods, environmental degradation in terms of water quality deterioration is one of the majorly effected but less highlighted domains across the world. The degraded water quality is caused by numerous natural and anthropogenic factors that are both point and non-point sources of pollution. Therefore, it is essential to understand the nature and source of the water pollution due to flooding. The major impact of floods is not only on the physico-chemical water quality parameters, but also on the biological elements leading to a vivid influence on the aquatic ecosystem. This deteriorated water quality is impacting many water categories viz. agriculture, drinking water, aquatic habitat, and miscellaneous services requiring an appropriate water quality to survive. This study identifies, reviews, evaluates and assesses multiple researches done across the world to determine the impact of floods on water quality. With a detailed statistical analysis of top relevant researches, this study is a synopsis of the methods used in assessment of impact of floods on water quality in different geographies, and identifying the gaps for further abridgement. As per majority of the studies, different flood magnitudes have varied impact on the water quality parameters leading to either increased or decreased values as compared to the recommended values for various categories. There is also an evident shift of the biological elements in the impacted waters leading to a change in its phenology and inhabitants of the specified water body. This physical, chemical and biological water quality degradation by floods is dependent upon its duration, extent, magnitude and flow direction. Therefore, this research provides an overview into the multiple impacts of floods on water quality, along with a roadmap of way forward to an efficient and uniform linkage of floods and impacted water quality dynamics.

Keywords: floods, statistical analysis, water pollution, water quality

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2394 Minimization of the Abrasion Effect of Fiber Reinforced Polymer Matrix on Stainless Steel Injection Nozzle through the Application of Laser Hardening Technique

Authors: Amessalu Atenafu Gelaw, Nele Rath

Abstract:

Currently, laser hardening process is becoming among the most efficient and effective hardening technique due to its significant advantages. The source where heat is generated, the absence of cooling media, self-quenching property, less distortion nature due to localized heat input, environmental friendly behavior and less time to finish the operation are among the main benefits to adopt this technology. This day, a variety of injection machines are used in plastic, textile, electrical and mechanical industries. Due to the fast growing of composite technology, fiber reinforced polymer matrix becoming optional solution to use in these industries. Due, to the abrasion nature of fiber reinforced polymer matrix composite on the injection components, many parts are outdated before the design period. Niko, a company specialized in injection molded products, suffers from the short lifetime of the injection nozzles of the molds, due to the use of fiber reinforced and, therefore, more abrasive polymer matrix. To prolong the lifetime of these molds, hardening the susceptible component like the injecting nozzles was a must. In this paper, the laser hardening process is investigated on Unimax, a type of stainless steel. The investigation to get optimal results for the nozzle-case was performed in three steps. First, the optimal parameters for maximum possible hardenability for the investigated nozzle material is investigated on a flat sample, using experimental testing as well as thermal simulation. Next, the effect of an inclination on the maximum temperature is analyzed both by experimental testing and validation through simulation. Finally, the data combined and applied for the nozzle. This paper describes possible strategies and methods for laser hardening of the nozzle to reach hardness of at least 720 HV for the material investigated. It has been proven, that the nozzle can be laser hardened to over 900 HV with the option of even higher results when more precise positioning of the laser can be assured.

Keywords: absorptivity, fiber reinforced matrix, laser hardening, Nd:YAG laser

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2393 Simultaneous Removal of Phosphate and Ammonium from Eutrophic Water Using Dolochar Based Media Filter

Authors: Prangya Ranjan Rout, Rajesh Roshan Dash, Puspendu Bhunia

Abstract:

With the aim of enhancing the nutrient (ammonium and phosphate) removal from eutrophic wastewater with reduced cost, a novel media based multistage bio filter with drop aeration facility was developed in this work. The bio filter was packed with a discarded sponge iron industry by product, ‘dolochar’ primarily to remove phosphate via physicochemical approach. In the multi stage bio-filter drop, aeration was achieved by the process of percolation of the gravity-fed wastewater through the filter media and dropping down of wastewater from stage to stage. Ammonium present in wastewater got adsorbed by the filter media and biomass grown on the filter media and subsequently, got converted to nitrate through biological nitrification in the aerobic condition, as realized by drop aeration. The performance of the bio-filter in treating real eutrophic wastewater was monitored for a period of about 2 months. The influent phosphate concentration was in the range of 16-19 mg/L, and ammonium concentration was in the range of 65-78 mg/L. The average nutrient removal efficiency observed during the study period were 95.2% for phosphate and 88.7% for ammonium, with mean final effluent concentration of 0.91, and 8.74 mg/L, respectively. Furthermore, the subsequent release of nutrient from the saturated filter media, after completion of treatment process has been undertaken in this study and thin layer funnel analytical test results reveal the slow nutrient release nature of spent dolochar, thereby, recommending its potential agricultural application. Thus, the bio-filter displays immense prospective for treating real eutrophic wastewater, significantly decreasing the level of nutrients and keeping the effluent nutrient concentrations at par with the permissible limit and more importantly, facilitating the conversion of the waste materials into usable ones.

Keywords: ammonium removal, phosphate removal, multi-stage bio-filter, dolochar

Procedia PDF Downloads 180
2392 Parameters Identification and Sensitivity Study for Abrasive WaterJet Milling Model

Authors: Didier Auroux, Vladimir Groza

Abstract:

This work is part of STEEP Marie-Curie ITN project, and it focuses on the identification of unknown parameters of the proposed generic Abrasive WaterJet Milling (AWJM) PDE model, that appears as an ill-posed inverse problem. The necessity of studying this problem comes from the industrial milling applications where the possibility to predict and model the final surface with high accuracy is one of the primary tasks in the absence of any knowledge of the model parameters that should be used. In this framework, we propose the identification of model parameters by minimizing a cost function, measuring the difference between experimental and numerical solutions. The adjoint approach based on corresponding Lagrangian gives the opportunity to find out the unknowns of the AWJM model and their optimal values that could be used to reproduce the required trench profile. Due to the complexity of the nonlinear problem and a large number of model parameters, we use an automatic differentiation software tool (TAPENADE) for the adjoint computations. By adding noise to the artificial data, we show that in fact the parameter identification problem is highly unstable and strictly depends on input measurements. Regularization terms could be effectively used to deal with the presence of data noise and to improve the identification correctness. Based on this approach we present results in 2D and 3D of the identification of the model parameters and of the surface prediction both with self-generated data and measurements obtained from the real production. Considering different types of model and measurement errors allows us to obtain acceptable results for manufacturing and to expect the proper identification of unknowns. This approach also gives us the ability to distribute the research on more complex cases and consider different types of model and measurement errors as well as 3D time-dependent model with variations of the jet feed speed.

Keywords: Abrasive Waterjet Milling, inverse problem, model parameters identification, regularization

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2391 Corn Flakes Produced from Different Cultivars of Zea Mays as a Functional Product

Authors: Milenko Košutić, Jelena Filipović, Zvonko Nježić

Abstract:

Extrusion technology is thermal processing that is applied to improve the nutritional, hygienic, and physical-chemical characteristics of the raw material. Overall, the extrusion process is an efficient method for the production of a wide range of food products. It combines heat, pressure, and shear to transform raw materials into finished goods with desired textures, shapes, and nutritional profiles. The extruded products’ quality is remarkably dependent upon feed material composition, barrel temperature profile, feed moisture content, screw speed, and other extrusion system parameters. Given consumer expectations for snack foods, a high expansion index and low bulk density, in addition to crunchy texture and uniform microstructure, are desired. This paper investigates the effects of simultaneous different types of corn (white corn, yellow corn, red corn, and black corn) addition and different screw speed (350, 500, 650 rpm) on the physical, technological, and functional properties of flakes products. Black corn flour and screw speed at 350 rpm positively influenced physical, technological characteristics, mineral composition, and antioxidant properties of flake products with the best total score analysis of 0,59. Overall, the combination of Tukey's HSD test and PCA enables a comprehensive analysis of the observed corn products, allowing researchers to identify them. This research aims to analyze the influence of different types of corn flour (white corn, yellow corn, red corn, and black corn) on the nutritive and sensory properties of the product (quality, texture, and color), as well as the acceptance of the new product by consumers on the territory of Novi Sad. The presented data point that investigated corn flakes from black corn flour at 350 rpm is a product with good physical-technological and functional properties due to a higher level of antioxidant activity.

Keywords: corn types, flakes product, nutritive quality, acceptability

Procedia PDF Downloads 39
2390 A Handheld Light Meter Device for Methamphetamine Detection in Oral Fluid

Authors: Anindita Sen

Abstract:

Oral fluid is a promising diagnostic matrix for drugs of abuse compared to urine and serum. Detection of methamphetamine in oral fluid would pave way for the easy evaluation of impairment in drivers during roadside drug testing as well as ensure safe working environments by facilitating evaluation of impairment in employees at workplaces. A membrane-based point-of-care (POC) friendly pre-treatment technique has been developed which aided elimination of interferences caused by salivary proteins and facilitated the demonstration of methamphetamine detection in saliva using a gold nanoparticle based colorimetric aptasensor platform. It was found that the colorimetric response in saliva was always suppressed owing to the matrix effects. By navigating the challenging interfering issues in saliva, we were successfully able to detect methamphetamine at nanomolar levels in saliva offering immense promise for the translation of these platforms for on-site diagnostic systems. This subsequently motivated the development of a handheld portable light meter device that can reliably transduce the aptasensors colorimetric response into absorbance, facilitating quantitative detection of analyte concentrations on-site. This is crucial due to the prevalent unreliability and sensitivity problems of the conventional drug testing kits. The fabricated light meter device response was validated against a standard UV-Vis spectrometer to confirm reliability. The portable and cost-effective handheld detector device features sensitivity comparable to the well-established UV-Vis benchtop instrument and the easy-to-use device could potentially serve as a prototype for a commercial device in the future.

Keywords: aptasensors, colorimetric gold nanoparticle assay, point-of-care, oral fluid

Procedia PDF Downloads 27
2389 Technical Sustainable Management: An Instrument to Increase Energy Efficiency in Wastewater Treatment Plants, a Case Study in Jordan

Authors: Dirk Winkler, Leon Koevener, Lamees AlHayary

Abstract:

This paper contributes to the improvement of the municipal wastewater systems in Jordan. An important goal is increased energy efficiency in wastewater treatment plants and therefore lower expenses due to reduced electricity consumption. The chosen way to achieve this goal is through the implementation of Technical Sustainable Management adapted to the Jordanian context. Three wastewater treatment plants in Jordan have been chosen as a case study for the investigation. These choices were supported by the fact that the three treatment plants are suitable for average performance and size. Beyond that, an energy assessment has been recently conducted in those facilities. The project succeeded in proving the following hypothesis: Energy efficiency in wastewater treatment plants can be improved by implementing principles of Technical Sustainable Management adapted to the Jordanian context. With this case study, a significant increase in energy efficiency can be achieved by optimization of operational performance, identifying and eliminating shortcomings and appropriate plant management. Implementing Technical Sustainable Management as a low-cost tool with a comparable little workload, provides several additional benefits supplementing increased energy efficiency, including compliance with all legal and technical requirements, process optimization, but also increased work safety and convenient working conditions. The research in the chosen field continues because there are indications for possible integration of the adapted tool into other regions and sectors. The concept of Technical Sustainable Management adapted to the Jordanian context could be extended to other wastewater treatment plants in all regions of Jordan but also into other sectors including water treatment, water distribution, wastewater network, desalination, or chemical industry.

Keywords: energy efficiency, quality management system, technical sustainable management, wastewater treatment

Procedia PDF Downloads 146
2388 Evaluation of κ -Carrageenan Hydrogel Efficiency in Wound-Healing

Authors: Ali Ayatic, Emad Mozaffari, Bahareh Tanhaei, Maryam Khajenoori, Saeedeh Movaghar Khoshkho, Ali Ayati

Abstract:

The abuse of antibiotics, such as tetracycline (TC), is a great global threat to people and the use of topical antibiotics is a promising tact that can help to solve this problem. Antibiotic therapy is often appropriate and necessary for acute wound infections, while topical tetracycline can be highly efficient in improving the wound healing process in diabetics. Due to the advantages of drug-loaded hydrogels as wound dressing, such as ease of handling, high moisture resistance, excellent biocompatibility, and the ability to activate immune cells to speed wound healing, it was found as an ideal wound treatment. In this work, the tetracycline-loaded hydrogels combining agar (AG) and κ-carrageenan (k-CAR) as polymer materials were prepared, in which span60 surfactant was introduced inside as a drug carrier. The Field Emission Scanning Electron Microscopes (FESEM) and Fourier-transform infrared spectroscopy (FTIR) techniques were employed to provide detailed information on the morphology, composition, and structure of fabricated drug-loaded hydrogels and their mechanical properties, and hydrogel permeability to water vapor was investigated as well. Two types of gram-negative and gram-positive bacteria were used to explore the antibacterial properties of prepared tetracycline-contained hydrogels. Their swelling and drug release behavior was studied using the changing factors such as the ratio of polysaccharides (MAG/MCAR), the span60 surfactant concentration, potassium chloride (KCl) concentration and different release media (deionized water (DW), phosphate-buffered saline (PBS), and simulated wound fluid (SWF)) at different times. Finally, the kinetic behavior of hydrogel swelling was studied. Also, the experimental data of TC release to DW, PBS, and SWF using various mathematical models such as Higuchi, Korsmeyer-Peppas, zero-order, and first-order in the linear and nonlinear modes were evaluated.

Keywords: drug release, hydrogel, tetracycline, wound healing

Procedia PDF Downloads 69
2387 Navigating Rough Seas: A Qualitative Exploration of National Sociotechnical Imaginaries of Myanmar’s Future Marine Fisheries

Authors: Hannes Groeneweg

Abstract:

Myanmar is considered one of the largest fishing nations in the world. The country’s rapid economic and political reform process since 2011 entails both challenges and opportunities for its marine fishing sector. The development pathway of the sector remains unclear. Which future will eventually materialize is shaped and determined by the various visions and actions of the stakeholders engaging in political debates and decision-making. These visions can be conceptualized through the Science and Technology Studies (STS) concept of sociotechnical imaginaries. The research of this article is guided by the question of which imaginaries are currently relevant, who is propagating these imaginaries, and how are these imaginaries produced and contested. Using qualitative documentary analysis of policy documents, reports, and media articles as well as in-depth interviews with key stakeholders, three archetypical national sociotechnical imaginaries of Myanmar’s future marine fisheries were identified: The industrial scale extractivism imaginary views marine fishing sector as a driver for national economic growth and focuses on the industrial and technological development of the production chain, increasing yield and exports. Sustainable fishing management encompasses the vulnerability of marine ecosystems and views increasing efficient sustainability governance, planning, and management into existing fishing practices. In the traditional sufficiency fishing imaginary, small-scale fishing practices are viewed as an important livelihood practice for millions of coastal dwellers. The need to conserve them through strengthening the self-reliance, autonomy, and resilience of these communities is stressed. In national debates, the first two imaginaries are currently dominant. The imaginaries, as well as their contestations, are also linked to other critical political issues. The paper suggests that participatory decision-making processes are needed to create an inclusive imaginary of the future marine fishing sector.

Keywords: science and technology studies, sociotechnical imaginaries, marine fishing, knowledge coproduction, Myanmar

Procedia PDF Downloads 166
2386 Design of Traffic Counting Android Application with Database Management System and Its Comparative Analysis with Traditional Counting Methods

Authors: Muhammad Nouman, Fahad Tiwana, Muhammad Irfan, Mohsin Tiwana

Abstract:

Traffic congestion has been increasing significantly in major metropolitan areas as a result of increased motorization, urbanization, population growth and changes in the urban density. Traffic congestion compromises efficiency of transport infrastructure and causes multiple traffic concerns; including but not limited to increase of travel time, safety hazards, air pollution, and fuel consumption. Traffic management has become a serious challenge for federal and provincial governments, as well as exasperated commuters. Effective, flexible, efficient and user-friendly traffic information/database management systems characterize traffic conditions by making use of traffic counts for storage, processing, and visualization. While, the emerging data collection technologies continue to proliferate, its accuracy can be guaranteed through the comparison of observed data with the manual handheld counters. This paper presents the design of tablet based manual traffic counting application and framework for development of traffic database management system for Pakistan. The database management system comprises of three components including traffic counting android application; establishing online database and its visualization using Google maps. Oracle relational database was chosen to develop the data structure whereas structured query language (SQL) was adopted to program the system architecture. The GIS application links the data from the database and projects it onto a dynamic map for traffic conditions visualization. The traffic counting device and example of a database application in the real-world problem provided a creative outlet to visualize the uses and advantages of a database management system in real time. Also, traffic data counts by means of handheld tablet/ mobile application can be used for transportation planning and forecasting.

Keywords: manual count, emerging data sources, traffic information quality, traffic surveillance, traffic counting device, android; data visualization, traffic management

Procedia PDF Downloads 178
2385 Steel Industry Waste as Recyclable Raw Material for the Development of Ferrous-Aluminum Alloys

Authors: Arnold S. Freitas Neto, Rodrigo E. Coelho, Erick S. Mendonça

Abstract:

The study aims to assess if high-purity iron powder in iron-aluminum alloys can be replaced by SAE 1020 steel chips with an atomicity proportion of 50% for each element. Chips of SAE 1020 are rejected in industrial processes. Thus, the use of SAE 1020 as a replaceable composite for iron increase the sustainability of ferrous alloys by recycling industrial waste. The alloys were processed by high energy milling, of which the main advantage is the minimal loss of raw material. The raw material for three of the six samples were high purity iron powder and recyclable aluminum cans. For the other three samples, the high purity iron powder has been replaced with chips of SAE 1020 steel. The process started with the separate milling of chips of aluminum and SAE 1020 steel to obtain the powder. Subsequently, the raw material was mixed in the pre-defined proportions, milled together for five hours and then underwent a closed-die hot compaction at the temperature of 500 °C. Thereafter, the compacted samples underwent heat treatments known as sintering and solubilization. All samples were sintered one hour, and 4 samples were solubilized for either 4 or 10 hours under well-controlled atmosphere conditions. Lastly, the composition and the mechanical properties of their hardness were analyzed. The samples were analyzed by optical microscopy, scanning electron microscopy and hardness testing. The results of the analysis showed a similar chemical composition and interesting hardness levels with low standard deviations. This verified that the use of SAE 1020 steel chips can be a low-cost alternative for high-purity iron powder and could possibly replace high-purity Iron in industrial applications.

Keywords: Fe-Al alloys, high energy milling, iron-aluminum alloys, metallography characterization, powder metallurgy, recycling ferrous alloy, SAE 1020 steel recycling

Procedia PDF Downloads 343
2384 Investigating the Behaviour of Composite Floors (Steel Beams and Concrete Slabs) under Mans Rhythmical Movement

Authors: M. Ali Lotfollahi Yaghin, M. Reza Bagerzadeh Karimi, Ali Rahmani, V. Sadeghi Balkanlou

Abstract:

Structural engineers have long been trying to develop solutions using the full potential of its composing materials. Therefore, there is no doubt that the structural solution progress is directly related to an increase in materials science knowledge. These efforts in conjunction with up-to-date modern construction techniques have led to an extensive use of composite floors in large span structures. On the other hand, the competitive trends of the world market have long been forcing structural engineers to develop minimum weight and labour cost solutions. A direct consequence of this new design trend is a considerable increase in problems related to unwanted floor vibrations. For this reason, the structural floors systems become vulnerable to excessive vibrations produced by impacts such as human rhythmic activities. The main objective of this paper is to present an analysis methodology for the evaluation of the composite floors human comfort. This procedure takes into account a more realistic loading model developed to incorporate the dynamic effects induced by human walking. The investigated structural models were based on various composite floors, with main spans varying from 5 to 10 m. based on an extensive parametric study the composite floors dynamic response, in terms of peak accelerations, was obtained and compared to the limiting values proposed by several authors and design standards. This strategy was adopted to provide a more realistic evaluation for this type of structure when subjected to vibration due to human walking.

Keywords: vibration, resonance, composite floors, people’s rhythmic movement, dynamic analysis, Abaqus software

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2383 Transmission Line Congestion Management Using Hybrid Fish-Bee Algorithm with Unified Power Flow Controller

Authors: P. Valsalal, S. Thangalakshmi

Abstract:

There is a widespread changeover in the electrical power industry universally from old-style monopolistic outline towards a horizontally distributed competitive structure to come across the demand of rising consumption. When the transmission lines of derestricted system are incapable to oblige the entire service needs, the lines are overloaded or congested. The governor between customer and power producer is nominated as Independent System Operator (ISO) to lessen the congestion without obstructing transmission line restrictions. Among the existing approaches for congestion management, the frequently used approaches are reorganizing the generation and load curbing. There is a boundary for reorganizing the generators, and further loads may not be supplemented with the prevailing resources unless more private power producers are added in the system by considerably raising the cost. Hence, congestion is relaxed by appropriate Flexible AC Transmission Systems (FACTS) devices which boost the existing transfer capacity of transmission lines. The FACTs device, namely, Unified Power Flow Controller (UPFC) is preferred, and the correct placement of UPFC is more vital and should be positioned in the highly congested line. Hence, the weak line is identified by using power flow performance index with the new objective function with proposed hybrid Fish – Bee algorithm. Further, the location of UPFC at appropriate line reduces the branch loading and minimizes the voltage deviation. The power transfer capacity of lines is determined with and without UPFC in the identified congested line of IEEE 30 bus structure and the simulated results are compared with prevailing algorithms. It is observed that the transfer capacity of existing line is increased with the presented algorithm and thus alleviating the congestion.

Keywords: available line transfer capability, congestion management, FACTS device, Hybrid Fish-Bee Algorithm, ISO, UPFC

Procedia PDF Downloads 366
2382 Pricing and Economic Benefits of Commercial Insurance Incorporated into Home-based Hospice Care

Authors: Lie-Fen Lin, Tzu-Hsuan Lin, Ching-Heng Lin

Abstract:

Hospice care for terminally ill patients provides not only a better quality of life but also cost-saving benefits. However, the utilization of home-based hospice care (HBH care) remains low even for countries covered by National Health Insurance (NHI) programs in Taiwan. In the current commercial insurance policy, only hospital-based hospice benefits were covered. It may have an influence on the insureds chosen to receive end-of-life care in a hospitalized manner. Thus, how to propose a feasible method to advocate HBH care utilization rate of public health policies is an important issue. A total of 130,219 cancer decedents in the year 2011-2013 from the National Health Insurance Research Database (NHIRD) in Taiwan were included in this study. By adding a day volume pays benefits of HBH care as a commercial insurance rider, will provide alternative benefits for the insureds. A multiple-state Markov chain model was incorporated to estimate the transition intensities of patients in different states at the end of their lives (Non-hospice, HBH, hospital-based hospice), and the premiums were estimated. HBH care insurance benefits provide financial support and reduce the burden of care for patients. The rate-making of this product is very sensitive while the utilization rate is rising, especially for high ages. The proposed HBH care insurance is a feasible way to reduce the financial burden, enhance the care quality and family satisfaction of insureds. Meanwhile, insurance companies can participate in advocating a good medical policy to enhance the social image. In addition, the medical costs of NHI can reduce effectively.

Keywords: home-based hospice care, commercial insurance, Markov chain model, the day volume pays

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2381 Design and Thermal Analysis of Power Harvesting System of a Hexagonal Shaped Small Spacecraft

Authors: Mansa Radhakrishnan, Anwar Ali, Muhammad Rizwan Mughal

Abstract:

Many universities around the world are working on modular and low budget architecture of small spacecraft to reduce the development cost of the overall system. This paper focuses on the design of a modular solar power harvesting system for a hexagonal-shaped small satellite. The designed solar power harvesting systems are composed of solar panels and power converter subsystems. The solar panel is composed of solar cells mounted on the external face of the printed circuit board (PCB), while the electronic components of power conversion are mounted on the interior side of the same PCB. The solar panel with dimensions 16.5cm × 99cm is composed of 36 solar cells (each solar cell is 4cm × 7cm) divided into four parallel banks where each bank consists of 9 solar cells. The output voltage of a single solar cell is 2.14V, and the combined output voltage of 9 series connected solar cells is around 19.3V. The output voltage of the solar panel is boosted to the satellite power distribution bus voltage level (28V) by a boost converter working on a constant voltage maximum power point tracking (MPPT) technique. The solar panel module is an eight-layer PCB having embedded coil in 4 internal layers. This coil is used to control the attitude of the spacecraft, which consumes power to generate a magnetic field and rotate the spacecraft. As power converter and distribution subsystem components are mounted on the PCB internal layer, therefore it is mandatory to do thermal analysis in order to ensure that the overall module temperature is within thermal safety limits. The main focus of the overall design is on compactness, miniaturization, and efficiency enhancement.

Keywords: small satellites, power subsystem, efficiency, MPPT

Procedia PDF Downloads 52
2380 The Role of Non-Native Plant Species in Enhancing Food Security in Sub-Saharan Africa

Authors: Thabiso Michael Mokotjomela, Jasper Knight

Abstract:

Intensification of agricultural food production in sub-Saharan Africa is of paramount importance as a means of increasing the food security of communities that are already experiencing a range of environmental and socio-economic stresses. However, achieving this aim faces several challenges including ongoing climate change, increased resistance of diseases and pests, extreme environmental degradation partly due to biological invasions, land tenure and management practices, socio-economic developments of rural populations, and national population growth. In particular, non-native plant species tend to display greater adaptation capacity to environmental stress than native species that form important food resource base for human beings, thus suggesting a potential for usage to shift accordingly. Based on review of the historical benefits of non-native plant species in food production in sub-Saharan Africa, we propose that use of non-invasive, non-native plant species and/or the genetic modification of native species might be viable options for future agricultural sustainability in this region. Coupled with strategic foresight planning (e.g. use of biological control agents that suppress plant species’ invasions), the consumptive use of already-introduced non-native species might help in containment and control of possible negative environmental impacts of non-native species on native species, ecosystems and biodiversity, and soil fertility and hydrology. Use of non-native species in food production should be accompanied by low cost agroecology practices (e.g. conservation agriculture and agrobiodiversity) that may promote the gradual recovery of natural capital, ecosystem services, and promote conservation of the natural environment as well as enhance food security.

Keywords: food security, invasive species, agroecology, agrobiodiversity, socio-economic stresses

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2379 Correction Factors for Soil-Structure Interaction Predicted by Simplified Models: Axisymmetric 3D Model versus Fully 3D Model

Authors: Fu Jia

Abstract:

The effects of soil-structure interaction (SSI) are often studied using axial-symmetric three-dimensional (3D) models to avoid the high computational cost of the more realistic, fully 3D models, which require 2-3 orders of magnitude more computer time and storage. This paper analyzes the error and presents correction factors for system frequency, system damping, and peak amplitude of structural response computed by axisymmetric models, embedded in uniform or layered half-space. The results are compared with those for fully 3D rectangular foundations of different aspect ratios. Correction factors are presented for a range of the model parameters, such as fixed-base frequency, structure mass, height and length-to-width ratio, foundation embedment, soil-layer stiffness and thickness. It is shown that the errors are larger for stiffer, taller and heavier structures, deeper foundations and deeper soil layer. For example, for a stiff structure like Millikan Library (NS response; length-to-width ratio 1), the error is 6.5% in system frequency, 49% in system damping and 180% in peak amplitude. Analysis of a case study shows that the NEHRP-2015 provisions for reduction of base shear force due to SSI effects may be unsafe for some structures and need revision. The presented correction factor diagrams can be used in practical design and other applications.

Keywords: 3D soil-structure interaction, correction factors for axisymmetric models, length-to-width ratio, NEHRP-2015 provisions for reduction of base shear force, rectangular embedded foundations, SSI system frequency, SSI system damping

Procedia PDF Downloads 245
2378 Tracing the Courtyard Typology from the Past: Highlighting a Need for Conservation in Case of Historic Settlement in Historic Town of Gwalior

Authors: Shivani Dolas, A. Richa Mishra

Abstract:

The existence of Courtyards in India can be traced back to ‘Indus valley civilization’ and various layers of history bearing implications like socio-cultural, traditional, religious, climatic, etc., moreover serving as a breathing space in case of historical core areas. Over time, with the overlay of various historic layers within the historic urban cores and the present high density populace, the cores are getting congested day by day. In this case, courtyards may emerge out as an efficient medium to provide quality of life through livable spaces. Presently, with the growing population of the historic town of Gwalior, town in Madhya Pradesh holds remarkable essence of courtyards with its multiple concepts over time. Its scale and function varies from an imposing grand appearance in palatial form, up to functional practices as residential. Its privilege can also be drawn in urban forms, in sharing single space by multiple dwellings and in temples which can be sketched specifically in the region. Moreover, the effectiveness of courtyards has proven balance and control of micro-climate in such composite climate region. The research paper aims to underline the concept of courtyards in case of a mixed use neighborhood, Naya bazar, in Lashkar area of Gwalior, which developed during 19th century, highlighting the need of its preservation. The paper also elaborates its various implications on user-space relationship as in the present context, and growing congestion in the area, user and space relationship is seen lost. The noticeable change in the behavioral context in buildings and users can be noticed with the downfall of courtyards, isolating users with land. Also, a concern has been expressed on negligence of courtyard planning in future development, suggesting recommendations on preserving the courtyard typology as heritage.

Keywords: courtyards, Gwalior, historic settlement, heritage

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2377 Optimal Seismic Design of Reinforced Concrete Shear Wall-Frame Structure

Authors: H. Nikzad, S. Yoshitomi

Abstract:

In this paper, the optimal seismic design of reinforced concrete shear wall-frame building structures was done using structural optimization. The optimal section sizes were generated through structural optimization based on linear static analysis conforming to American Concrete Institute building design code (ACI 318-14). An analytical procedure was followed to validate the accuracy of the proposed method by comparing stresses on structural members through output files of MATLAB and ETABS. In order to consider the difference of stresses in structural elements by ETABS and MATLAB, and to avoid over-stress members by ETABS, a stress constraint ratio of MATLAB to ETABS was modified and introduced for the most critical load combinations and structural members. Moreover, seismic design of the structure was done following the International Building Code (IBC 2012), American Concrete Institute Building Code (ACI 318-14) and American Society of Civil Engineering (ASCE 7-10) standards. Typical reinforcement requirements for the structural wall, beam and column were discussed and presented using ETABS structural analysis software. The placement and detailing of reinforcement of structural members were also explained and discussed. The outcomes of this study show that the modification of section sizes play a vital role in finding an optimal combination of practical section sizes. In contrast, the optimization problem with size constraints has a higher cost than that of without size constraints. Moreover, the comparison of optimization problem with that of ETABS program shown to be satisfactory and governed ACI 318-14 building design code criteria.

Keywords: structural optimization, seismic design, linear static analysis, etabs, matlab, rc shear wall-frame structures

Procedia PDF Downloads 158
2376 A Geometrical Multiscale Approach to Blood Flow Simulation: Coupling 2-D Navier-Stokes and 0-D Lumped Parameter Models

Authors: Azadeh Jafari, Robert G. Owens

Abstract:

In this study, a geometrical multiscale approach which means coupling together the 2-D Navier-Stokes equations, constitutive equations and 0-D lumped parameter models is investigated. A multiscale approach, suggest a natural way of coupling detailed local models (in the flow domain) with coarser models able to describe the dynamics over a large part or even the whole cardiovascular system at acceptable computational cost. In this study we introduce a new velocity correction scheme to decouple the velocity computation from the pressure one. To evaluate the capability of our new scheme, a comparison between the results obtained with Neumann outflow boundary conditions on the velocity and Dirichlet outflow boundary conditions on the pressure and those obtained using coupling with the lumped parameter model has been performed. Comprehensive studies have been done based on the sensitivity of numerical scheme to the initial conditions, elasticity and number of spectral modes. Improvement of the computational algorithm with stable convergence has been demonstrated for at least moderate Weissenberg number. We comment on mathematical properties of the reduced model, its limitations in yielding realistic and accurate numerical simulations, and its contribution to a better understanding of microvascular blood flow. We discuss the sophistication and reliability of multiscale models for computing correct boundary conditions at the outflow boundaries of a section of the cardiovascular system of interest. In this respect the geometrical multiscale approach can be regarded as a new method for solving a class of biofluids problems, whose application goes significantly beyond the one addressed in this work.

Keywords: geometrical multiscale models, haemorheology model, coupled 2-D navier-stokes 0-D lumped parameter modeling, computational fluid dynamics

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2375 Design, Synthesis and Pharmacological Investigation of Novel 2-Phenazinamine Derivatives as a Mutant BCR-ABL (T315I) Inhibitor

Authors: Gajanan M. Sonwane

Abstract:

Nowadays, the entire pharmaceutical industry is facing the challenge of increasing efficiency and innovation. The major hurdles are the growing cost of research and development and a concurrent stagnating number of new chemical entities (NCEs). Hence, the challenge is to select the most druggable targets and to search the equivalent drug-like compounds, which also possess specific pharmacokinetic and toxicological properties that allow them to be developed as drugs. The present research work includes the studies of developing new anticancer heterocycles by using molecular modeling techniques. The heterocycles synthesized through such methodology are much effective as various physicochemical parameters have been already studied and the structure has been optimized for its best fit in the receptor. Hence, on the basis of the literature survey and considering the need to develop newer anticancer agents, new phenazinamine derivatives were designed by subjecting the nucleus to molecular modeling, viz., GQSAR analysis and docking studies. Simultaneously, these designed derivatives were subjected to in silico prediction of biological activity through PASS studies and then in silico toxicity risk assessment studies. In PASS studies, it was found that all the derivatives exhibited a good spectrum of biological activities confirming its anticancer potential. The toxicity risk assessment studies revealed that all the derivatives obey Lipinski’s rule. Amongst these series, compounds 4c, 5b and 6c were found to possess logP and drug-likeness values comparable with the standard Imatinib (used for anticancer activity studies) and also with the standard drug methotrexate (used for antimitotic activity studies). One of the most notable mutations is the threonine to isoleucine mutation at codon 315 (T315I), which is known to be resistant to all currently available TKI. Enzyme assay planned for confirmation of target selective activity.

Keywords: drug design, tyrosine kinases, anticancer, Phenazinamine

Procedia PDF Downloads 98
2374 Spatiotemporal Variability in Rainfall Trends over Sinai Peninsula Using Nonparametric Methods and Discrete Wavelet Transforms

Authors: Mosaad Khadr

Abstract:

Knowledge of the temporal and spatial variability of rainfall trends has been of great concern for efficient water resource planning, management. In this study annual, seasonal and monthly rainfall trends over the Sinai Peninsula were analyzed by using absolute homogeneity tests, nonparametric Mann–Kendall (MK) test and Sen’s slope estimator methods. The homogeneity of rainfall time-series was examined using four absolute homogeneity tests namely, the Pettitt test, standard normal homogeneity test, Buishand range test, and von Neumann ratio test. Further, the sequential change in the trend of annual and seasonal rainfalls is conducted using sequential MK (SQMK) method. Then the trend analysis based on discrete wavelet transform technique (DWT) in conjunction with SQMK method is performed. The spatial patterns of the detected rainfall trends were investigated using a geostatistical and deterministic spatial interpolation technique. The results achieved from the Mann–Kendall test to the data series (using the 5% significance level) highlighted that rainfall was generally decreasing in January, February, March, November, December, wet season, and annual rainfall. A significant decreasing trend in the winter and annual rainfall with significant levels were inferred based on the Mann-Kendall rank statistics and linear trend. Further, the discrete wavelet transform (DWT) analysis reveal that in general, intra- and inter-annual events (up to 4 years) are more influential in affecting the observed trends. The nature of the trend captured by both methods is similar for all of the cases. On the basis of spatial trend analysis, significant rainfall decreases were also noted in the investigated stations. Overall, significant downward trends in winter and annual rainfall over the Sinai Peninsula was observed during the study period.

Keywords: trend analysis, rainfall, Mann–Kendall test, discrete wavelet transform, Sinai Peninsula

Procedia PDF Downloads 156
2373 Examining Statistical Monitoring Approach against Traditional Monitoring Techniques in Detecting Data Anomalies during Conduct of Clinical Trials

Authors: Sheikh Omar Sillah

Abstract:

Introduction: Monitoring is an important means of ensuring the smooth implementation and quality of clinical trials. For many years, traditional site monitoring approaches have been critical in detecting data errors but not optimal in identifying fabricated and implanted data as well as non-random data distributions that may significantly invalidate study results. The objective of this paper was to provide recommendations based on best statistical monitoring practices for detecting data-integrity issues suggestive of fabrication and implantation early in the study conduct to allow implementation of meaningful corrective and preventive actions. Methodology: Electronic bibliographic databases (Medline, Embase, PubMed, Scopus, and Web of Science) were used for the literature search, and both qualitative and quantitative studies were sought. Search results were uploaded into Eppi-Reviewer Software, and only publications written in the English language from 2012 were included in the review. Gray literature not considered to present reproducible methods was excluded. Results: A total of 18 peer-reviewed publications were included in the review. The publications demonstrated that traditional site monitoring techniques are not efficient in detecting data anomalies. By specifying project-specific parameters such as laboratory reference range values, visit schedules, etc., with appropriate interactive data monitoring, statistical monitoring can offer early signals of data anomalies to study teams. The review further revealed that statistical monitoring is useful to identify unusual data patterns that might be revealing issues that could impact data integrity or may potentially impact study participants' safety. However, subjective measures may not be good candidates for statistical monitoring. Conclusion: The statistical monitoring approach requires a combination of education, training, and experience sufficient to implement its principles in detecting data anomalies for the statistical aspects of a clinical trial.

Keywords: statistical monitoring, data anomalies, clinical trials, traditional monitoring

Procedia PDF Downloads 55
2372 Prioritizing Roads Safety Based on the Quasi-Induced Exposure Method and Utilization of the Analytical Hierarchy Process

Authors: Hamed Nafar, Sajad Rezaei, Hamid Behbahani

Abstract:

Safety analysis of the roads through the accident rates which is one of the widely used tools has been resulted from the direct exposure method which is based on the ratio of the vehicle-kilometers traveled and vehicle-travel time. However, due to some fundamental flaws in its theories and difficulties in gaining access to the data required such as traffic volume, distance and duration of the trip, and various problems in determining the exposure in a specific time, place, and individual categories, there is a need for an algorithm for prioritizing the road safety so that with a new exposure method, the problems of the previous approaches would be resolved. In this way, an efficient application may lead to have more realistic comparisons and the new method would be applicable to a wider range of time, place, and individual categories. Therefore, an algorithm was introduced to prioritize the safety of roads using the quasi-induced exposure method and utilizing the analytical hierarchy process. For this research, 11 provinces of Iran were chosen as case study locations. A rural accidents database was created for these provinces, the validity of quasi-induced exposure method for Iran’s accidents database was explored, and the involvement ratio for different characteristics of the drivers and the vehicles was measured. Results showed that the quasi-induced exposure method was valid in determining the real exposure in the provinces under study. Results also showed a significant difference in the prioritization based on the new and traditional approaches. This difference mostly would stem from the perspective of the quasi-induced exposure method in determining the exposure, opinion of experts, and the quantity of accidents data. Overall, the results for this research showed that prioritization based on the new approach is more comprehensive and reliable compared to the prioritization in the traditional approach which is dependent on various parameters including the driver-vehicle characteristics.

Keywords: road safety, prioritizing, Quasi-induced exposure, Analytical Hierarchy Process

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2371 Application of Water Soluble Polymers in Chemical Enhanced Oil Recovery

Authors: M. Shahzad Kamal, Abdullah S. Sultan, Usamah A. Al-Mubaiyedh, Ibnelwaleed A. Hussein

Abstract:

Oil recovery from reservoirs using conventional oil recovery techniques like water flooding is less than 20%. Enhanced oil recovery (EOR) techniques are applied to recover additional oil. Surfactant-polymer flooding is a promising EOR technique used to recover residual oil from reservoirs. Water soluble polymers are used to increase the viscosity of displacing fluids. Surfactants increase the capillary number by reducing the interfacial tension between oil and displacing fluid. Hydrolyzed polyacrylamide (HPAM) is widely used in polymer flooding applications due to its low cost and other desirable properties. HPAM works well in low-temperature and low salinity-environment. In the presence of salts HPAM viscosity decrease due to charge screening effect and it can precipitate at high temperatures in the presence of salts. Various strategies have been adopted to extend the application of water soluble polymers to high-temperature high-salinity (HTHS) reservoir. These include addition of monomers to acrylamide chain that can protect it against thermal hydrolysis. In this work, rheological properties of various water soluble polymers were investigated to find out suitable polymer and surfactant-polymer systems for HTHS reservoirs. Polymer concentration ranged from 0.1 to 1 % (w/v). Effect of temperature, salinity and polymer concentration was investigated using both steady shear and dynamic measurements. Acrylamido tertiary butyl sulfonate based copolymer showed better performance under HTHS conditions compared to HPAM. Moreover, thermoviscosifying polymer showed excellent rheological properties and increase in the viscosity was observed with increase temperature. This property is highly desirable for EOR application.

Keywords: rheology, polyacrylamide, salinity, enhanced oil recovery, polymer flooding

Procedia PDF Downloads 396
2370 Conservation Agriculture and Precision Water Management in Alkaline Soils under Rice-Wheat Cropping System: Effect on Wheat Productivity and Irrigation Water Use-a Case Study from India

Authors: S. K. Kakraliya, H. S. Jat, Manish Kakraliya, P. C. Sharma, M. L. Jat

Abstract:

The biggest challenge in agriculture is to produce more food for the continually increasing world population with in the limited land and water resources. Serious water deficits and reducing natural resources are some of the major threats to the agricultural sustainability in many regions of South Asia. Food and water security may be gained by bringing improvement in the crop water productivity and the amount produced per unit of water consumed. Improvement in the crop water productivity may be achieved by pursuing alternative modern agronomics approaches, which are more friendly and efficient in utilizing natural resources. Therefore, a research trial on conservation agriculture (CA) and precision water management (PWM) was conducted in 2018-19 at Karnal, India to evaluate the effect on crop productivity and irrigation in sodic soils under rice-wheat (RW) systems of Indo-Gangetic Plains (IGP). Eight scenarios were compared varied in the tillage, crop establishment, residue and irrigarion management i.e., {First four scenarios irrigated with flood irrigation method;Sc1-Conventional tillage (CT) without residue, Sc2-CT with residue, Sc3- Zero tillage (ZT) without residue, Sc4-ZT with residue}, and {last four scenarios irrigated with sub-surface drip irrigation method; Sc5-ZT without residue, Sc6- ZT with residue, Sc7-ZT inclusion legume without residue and Sc8- ZT inclusion legume with residue}. Results revealed that CA-flood irrigation (S3, Sc4) and CA-PWM system (Sc5, Sc6, Sc7 and Sc8) recorded about ~5% and ~15% higher wheat yield, respectively compared to Sc1. Similar, CA-PWM saved ~40% irrigation water compared to Sc1. Rice yield was not different under different scenarios in the first year (kharif 2019) but almost half irrigation water saved under CA-PWM system. Therefore, results of our study on modern agronomic practices including CA and precision water management (subsurface drip irrigation) for RW rotation would be addressed the existing and future challenges in the RW system.

Keywords: Sub-surface drip, Crop residue, Crop yield , Zero tillage

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2369 A Detailed Computational Investigation into Copper Catalyzed Sonogashira Coupling Reaction

Authors: C. Rajalakshmi, Vibin Ipe Thomas

Abstract:

Sonogashira coupling reactions are widely employed in the synthesis of molecules of biological and pharmaceutical importance. Copper catalyzed Sonogashira coupling reactions are gaining importance owing to the low cost and less toxicity of copper as compared to the palladium catalyst. In the present work, a detailed computational study has been carried out on the Sonogashira coupling reaction between aryl halides and terminal alkynes catalyzed by Copper (I) species with trans-1, 2 Diaminocyclohexane as ligand. All calculations are performed at Density Functional Theory (DFT) level, using the hybrid Becke3LYP functional. Cu and I atoms are described using an effective core potential (LANL2DZ) for the inner electrons and its associated double-ζ basis set for the outer electrons. For all other atoms, 6-311G+* basis set is used. We have identified that the active catalyst species is a neutral 3-coordinate trans-1,2 diaminocyclohexane ligated Cu (I) alkyne complex and found that the oxidative addition and reductive elimination occurs in a single step proceeding through one transition state. This is owing to the ease of reductive elimination involving coupling of Csp2-Csp carbon atoms and the less stable Cu (III) intermediate. This shows the mechanism of copper catalyzed Sonogashira coupling reactions are quite different from those catalyzed by palladium. To gain further insights into the mechanism, substrates containing various functional groups are considered in our study to traverse their effect on the feasibility of the reaction. We have also explored the effect of ligand on the catalytic cycle of the coupling reaction. The theoretical results obtained are in good agreement with the experimental observation. This shows the relevance of a combined theoretical and experimental approach for rationally improving the cross-coupling reaction mechanisms.

Keywords: copper catalysed, density functional theory, reaction mechanism, Sonogashira coupling

Procedia PDF Downloads 102