Search results for: electro-static discharge (ESD)
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1088

Search results for: electro-static discharge (ESD)

698 Low- and High-Temperature Methods of CNTs Synthesis for Medicine

Authors: Grzegorz Raniszewski, Zbigniew Kolacinski, Lukasz Szymanski, Slawomir Wiak, Lukasz Pietrzak, Dariusz Koza

Abstract:

One of the most promising area for carbon nanotubes (CNTs) application is medicine. One of the most devastating diseases is cancer. Carbon nanotubes may be used as carriers of a slowly released drug. It is possible to use of electromagnetic waves to destroy cancer cells by the carbon nanotubes (CNTs). In our research we focused on thermal ablation by ferromagnetic carbon nanotubes (Fe-CNTs). In the cancer cell hyperthermia functionalized carbon nanotubes are exposed to radio frequency electromagnetic field. Properly functionalized Fe-CNTs join the cancer cells. Heat generated in nanoparticles connected to nanotubes warm up nanotubes and then the target tissue. When the temperature in tumor tissue exceeds 316 K the necrosis of cancer cells may be observed. Several techniques can be used for Fe-CNTs synthesis. In our work, we use high-temperature methods where arc-discharge is applied. Low-temperature systems are microwave plasma with assisted chemical vapor deposition (MPCVD) and hybrid physical-chemical vapor deposition (HPCVD). In the arc discharge system, the plasma reactor works with a pressure of He up to 0,5 atm. The electric arc burns between two graphite rods. Vapors of carbon move from the anode, through a short arc column and forms CNTs which can be collected either from the reactor walls or cathode deposit. This method is suitable for the production of multi-wall and single-wall CNTs. A disadvantage of high-temperature methods is a low purification, short length, random size and multi-directional distribution. In MPCVD system plasma is generated in waveguide connected to the microwave generator. Then containing carbon and ferromagnetic elements plasma flux go to the quartz tube. The additional resistance heating can be applied to increase the reaction effectiveness and efficiency. CNTs nucleation occurs on the quartz tube walls. It is also possible to use substrates to improve carbon nanotubes growth. HPCVD system involves both chemical decomposition of carbon containing gases and vaporization of a solid or liquid source of catalyst. In this system, a tube furnace is applied. A mixture of working and carbon-containing gases go through the quartz tube placed inside the furnace. As a catalyst ferrocene vapors can be used. Fe-CNTs may be collected then either from the quartz tube walls or on the substrates. Low-temperature methods are characterized by higher purity product. Moreover, carbon nanotubes from tested CVD systems were partially filled with the iron. Regardless of the method of Fe-CNTs synthesis the final product always needs to be purified for applications in medicine. The simplest method of purification is an oxidation of the amorphous carbon. Carbon nanotubes dedicated for cancer cell thermal ablation need to be additionally treated by acids for defects amplification on the CNTs surface what facilitates biofunctionalization. Application of ferromagnetic nanotubes for cancer treatment is a promising method of fighting with cancer for the next decade. Acknowledgment: The research work has been financed from the budget of science as a research project No. PBS2/A5/31/2013

Keywords: arc discharge, cancer, carbon nanotubes, CVD, thermal ablation

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697 The Strong Interactions among the Protons

Authors: Yin Rui, Yin Ming, Yang Wang

Abstract:

This paper presents empirical evidence validating the Lorentz transformation of rotational frames for both inside critical cylinder (ICC) and outside critical cylinder (OCC) configurations, as well as the corresponding transformations of associated physical quantities. These transformations have been applied to derive the electromagnetic field parameters of a spinning charged particle. In our analysis of a two-proton system, we have not only uncovered strong interactions that are 238 times stronger than the electrostatic force but also elucidated the mechanisms underlying its stability and self-sustainable nature. This strong interaction manifests exclusively at distances on the order of 〖10〗^(-15)meters, consistent with the known range of the strong nuclear force. Furthermore, we have extended our analysis to multi-proton systems, specifically examining configurations containing four to seven protons. For these more complex systems, we have derived the strong interaction forces, providing insights into the nuclear dynamics of larger atomic nuclei. Our findings offer a more comprehensive understanding of the nature of strong interactions among protons. This work may have significant implications for advancing our knowledge of nuclear structure and stability and could potentially bridge the gap between electromagnetic and strong nuclear forces within a unified theoretical framework.

Keywords: special relativity, Lorentz transformation, strong interactions, particle spin

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696 Investigation of Riprap Stability on Roughness Bridge Pier in River Bend

Authors: A. Alireza Masjedi, B. Amir Taeedi

Abstract:

In this research, by placing the two cylindrical piers without roughness and with roughness with riprap around its, they proceeded to a series of tests. Experiments were done by three relative diameters of riprap with density 2.1 and one rate of discharge 27 lit/s under pure water condition. In each experiment, flow depth measured in terms of failure threshold then stability number calculated by using data obtained. The results of the research showed that the riprap stability in pier with roughness is more pier without roughness because of the pier with roughness is sharp-pointed and reduced horseshoe vortex.

Keywords: riprap stability, roughness, river bend, froude number

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695 Effect of Riprap Stability on Roughness Bridge Pier in River Bend

Authors: Alireza Masjedi, Amir Taeedi

Abstract:

In this research, by placing the two cylindrical piers without roughness and with roughness with riprap around its, they proceeded to a series of tests. Experiments were done by three relative diameters of riprap with density 2.1 and one rate of discharge 27 lit/s under pure water condition. In each experiment, flow depth measured in terms of failure threshold then stability number calculated by using data obtained. The results of the research showed that the riprap stability in pier with roughness is more pier without roughness because of the pier with roughness is sharp-pointed and reduced horseshoe vortex.

Keywords: riprap stability, roughness, river bend, froude number

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694 Experimental and Numerical Investigation of Micro-Welding Process and Applications in Digital Manufacturing

Authors: Khaled Al-Badani, Andrew Norbury, Essam Elmshawet, Glynn Rotwell, Ian Jenkinson , James Ren

Abstract:

Micro welding procedures are widely used for joining materials, developing duplex components or functional surfaces, through various methods such as Micro Discharge Welding or Spot Welding process, which can be found in the engineering, aerospace, automotive, biochemical, biomedical and numerous other industries. The relationship between the material properties, structure and processing is very important to improve the structural integrity and the final performance of the welded joints. This includes controlling the shape and the size of the welding nugget, state of the heat affected zone, residual stress, etc. Nowadays, modern high volume productions require the welding of much versatile shapes/sizes and material systems that are suitable for various applications. Hence, an improved understanding of the micro welding process and the digital tools, which are based on computational numerical modelling linking key welding parameters, dimensional attributes and functional performance of the weldment, would directly benefit the industry in developing products that meet current and future market demands. This paper will introduce recent work on developing an integrated experimental and numerical modelling code for micro welding techniques. This includes similar and dissimilar materials for both ferrous and non-ferrous metals, at different scales. The paper will also produce a comparative study, concerning the differences between the micro discharge welding process and the spot welding technique, in regards to the size effect of the welding zone and the changes in the material structure. Numerical modelling method for the micro welding processes and its effects on the material properties, during melting and cooling progression at different scales, will also be presented. Finally, the applications of the integrated numerical modelling and the material development for the digital manufacturing of welding, is discussed with references to typical application cases such as sensors (thermocouples), energy (heat exchanger) and automotive structures (duplex steel structures).

Keywords: computer modelling, droplet formation, material distortion, materials forming, welding

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693 Early Melt Season Variability of Fast Ice Degradation Due to Small Arctic Riverine Heat Fluxes

Authors: Grace E. Santella, Shawn G. Gallaher, Joseph P. Smith

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In order to determine the importance of small-system riverine heat flux on regional landfast sea ice breakup, our study explores the annual spring freshet of the Sagavanirktok River from 2014-2019. Seasonal heat cycling ultimately serves as the driving mechanism behind the freshet; however, as an emerging area of study, the extent to which inland thermodynamics influence coastal tundra geomorphology and connected landfast sea ice has not been extensively investigated in relation to small-scale Arctic river systems. The Sagavanirktok River is a small-to-midsized river system that flows south-to-north on the Alaskan North Slope from the Brooks mountain range to the Beaufort Sea at Prudhoe Bay. Seasonal warming in the spring rapidly melts snow and ice in a northwards progression from the Brooks Range and transitional tundra highlands towards the coast and when coupled with seasonal precipitation, results in a pulsed freshet that propagates through the Sagavanirktok River. The concentrated presence of newly exposed vegetation in the transitional tundra region due to spring melting results in higher absorption of solar radiation due to a lower albedo relative to snow-covered tundra and/or landfast sea ice. This results in spring flood runoff that advances over impermeable early-season permafrost soils with elevated temperatures relative to landfast sea ice and sub-ice flow. We examine the extent to which interannual temporal variability influences the onset and magnitude of river discharge by analyzing field measurements from the United States Geological Survey (USGS) river and meteorological observation sites. Rapid influx of heat to the Arctic Ocean via riverine systems results in a noticeable decay of landfast sea ice independent of ice breakup seaward of the shear zone. Utilizing MODIS imagery from NASA’s Terra satellite, interannual variability of river discharge is visualized, allowing for optical validation that the discharge flow is interacting with landfast sea ice. Thermal erosion experienced by sediment fast ice at the arrival of warm overflow preconditions the ice regime for rapid thawing. We investigate the extent to which interannual heat flux from the Sagavanirktok River’s freshet significantly influences the onset of local landfast sea ice breakup. The early-season warming of atmospheric temperatures is evidenced by the presence of storms which introduce liquid, rather than frozen, precipitation into the system. The resultant decreased albedo of the transitional tundra supports the positive relationship between early-season precipitation events, inland thermodynamic cycling, and degradation of landfast sea ice. Early removal of landfast sea ice increases coastal erosion in these regions and has implications for coastline geomorphology which stress industrial, ecological, and humanitarian infrastructure.

Keywords: Albedo, freshet, landfast sea ice, riverine heat flux, seasonal heat cycling

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692 Contribution to the Hydrogeochemical Investigations on the Wajid Aquifer System, Southwestern Part of Saudi Arabia

Authors: Mohamed Ahmed, Ezat Korany, Abdelaziz Al Basam, Osama Kasem

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The arid climate, low rate of precipitations and population reflect the increasing of groundwater uses as the main source of water in Saudi Arabia. The Wajid Aquifer System represents a regional groundwater aquifer system along the edge of the crystalline Arabian Shield near the southwestern tip of the Arabian Peninsula. The aquifer extends across the border of Saudi Arabia and Yemen from the Asir –Yemen Highlands to the Rub al Khali Depression and possibly to the Gulf coast (at the southwestern tip). The present work is representing a hydrogeochemical investigation on the Wajid Aquifer System. The studied area is being classified into three zones. The 1st zone is West of Wadi Ad Dawasir (Northern part of the studied area), the 2nd is Najran-Asir Zone (southern part of the studied area), and the 3rd zone is the intermediate -central zone (occupying the central area between the last two zones). The groundwater samples were collected and chemically analyzed for physicochemical properties such as pH, electrical conductivity, total hardness (TH), alkalinity (pH), total dissolved solids (TDS), major ions (Ca2+, Mg2+, Na+, K+, HCO3-, SO42- and Cl-), and trace elements. Some parameters such as sodium adsorption ratio (SAR), soluble sodium percentage (Na%), potential salinity, residual sodium carbonate, Kelly's ratio, permeability index and Gibbs ratio, hydrochemical coefficients, hydrochemical formula, ion dominance, salt combinations and water types were also calculated in order to evaluate the quality of the groundwater resources in the selected areas for different purposes. The distribution of the chemical constituents and their interrelationships are illustrated by different hydrochemical graphs. Groundwater depths and the depth to water were measured to study the effect of discharge on both the water level and the salinity of the studied groundwater wells. A detailed comparison between the three studied zones according to the variations shown by the chemical and field investigations are discussed in detailed within the work.

Keywords: Najran-Asir, Wadi Ad Dawasir, Wajid Aquifer System, effect of discharge

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691 Discharge Estimation in a Two Flow Braided Channel Based on Energy Concept

Authors: Amiya Kumar Pati, Spandan Sahu, Kishanjit Kumar Khatua

Abstract:

River is our main source of water which is a form of open channel flow and the flow in the open channel provides with many complex phenomena of sciences that needs to be tackled such as the critical flow conditions, boundary shear stress, and depth-averaged velocity. The development of society, more or less solely depends upon the flow of rivers. The rivers are major sources of many sediments and specific ingredients which are much essential for human beings. A river flow consisting of small and shallow channels sometimes divide and recombine numerous times because of the slow water flow or the built up sediments. The pattern formed during this process resembles the strands of a braid. Braided streams form where the sediment load is so heavy that some of the sediments are deposited as shifting islands. Braided rivers often exist near the mountainous regions and typically carry coarse-grained and heterogeneous sediments down a fairly steep gradient. In this paper, the apparent shear stress formulae were suitably modified, and the Energy Concept Method (ECM) was applied for the prediction of discharges at the junction of a two-flow braided compound channel. The Energy Concept Method has not been applied for estimating the discharges in the braided channels. The energy loss in the channels is analyzed based on mechanical analysis. The cross-section of channel is divided into two sub-areas, namely the main-channel below the bank-full level and region above the bank-full level for estimating the total discharge. The experimental data are compared with a wide range of theoretical data available in the published literature to verify this model. The accuracy of this approach is also compared with Divided Channel Method (DCM). From error analysis of this method, it is observed that the relative error is less for the data-sets having smooth floodplains when compared to rough floodplains. Comparisons with other models indicate that the present method has reasonable accuracy for engineering purposes.

Keywords: critical flow, energy concept, open channel flow, sediment, two-flow braided compound channel

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690 The Impact of Physics Taught with Simulators and Texts in Brazilian High School: A Study in the Adult and Youth Education

Authors: Leandro Marcos Alves Vaz

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The teaching of physics in Brazilian public schools emphasizes strongly the theoretical aspects of this science, showing its philosophical and mathematical basis, but neglecting its experimental character. Perhaps the lack of science laboratories explains this practice. In this work, we present a method of teaching physics using the computer. As alternatives to real experiments, we have the trials through simulators, many of which are free software available on the internet. In order to develop a study on the use of simulators in teaching, knowing the impossibility of simulations on all topics in a given subject, we combined these programs with phenomenological and/or experimental texts in order to mitigate this limitation. This study proposes the use of simulators and the debate using phenomenological/experimental texts on electrostatic theme in groups of the 3rd year of EJA (Adult and Youth Education) in order to verify the advantages of this methodology. Some benefits of the hybridization of the traditional method with the tools used were: Greater motivation of the students in learning, development of experimental notions, proactive socialization to learning, greater easiness to understand some concepts and the creation of collaborative activities that can reduce timidity of part of the students.

Keywords: experimentation, learning physical, simulators, youth and adult

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689 Comparison of On-Site Stormwater Detention Real Performance and Theoretical Simulations

Authors: Pedro P. Drumond, Priscilla M. Moura, Marcia M. L. P. Coelho

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The purpose of On-site Stormwater Detention (OSD) system is to promote the detention of addition stormwater runoff caused by impervious areas, in order to maintain the peak flow the same as the pre-urbanization condition. In recent decades, these systems have been built in many cities around the world. However, its real efficiency continues to be unknown due to the lack of research, especially with regard to monitoring its real performance. Thus, this study aims to compare the water level monitoring data of an OSD built in Belo Horizonte/Brazil with the results of theoretical methods simulations, usually adopted in OSD design. There were made two theoretical simulations, one using the Rational Method and Modified Puls method and another using the Soil Conservation Service (SCS) method and Modified Puls method. The monitoring data were obtained with a water level sensor, installed inside the reservoir and connected to a data logger. The comparison of OSD performance was made for 48 rainfall events recorded from April/2015 to March/2017. The comparison of maximum water levels in the OSD showed that the results of the simulations with Rational/Puls and SCS/Puls methods were, on average 33% and 73%, respectively, lower than those monitored. The Rational/Puls results were significantly higher than the SCS/Puls results, only in the events with greater frequency. In the events with average recurrence interval of 5, 10 and 200 years, the maximum water heights were similar in both simulations. Also, the results showed that the duration of rainfall events was close to the duration of monitored hydrograph. The rising time and recession time of the hydrographs calculated with the Rational Method represented better the monitored hydrograph than SCS Method. The comparison indicates that the real discharge coefficient value could be higher than 0.61, adopted in Puls simulations. New researches evaluating OSD real performance should be developed. In order to verify the peak flow damping efficiency and the value of the discharge coefficient is necessary to monitor the inflow and outflow of an OSD, in addition to monitor the water level inside it.

Keywords: best management practices, on-site stormwater detention, source control, urban drainage

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688 Development of All-in-One Solar Kit

Authors: Azhan Azhar, Mohammed Sakib, Zaurez Ahmad

Abstract:

The energy we receive from the sun is known as solar energy, and it is a reliable, long-lasting, eco-friendly and the most widely used energy source in the 21st century. It is. There are several techniques for harnessing solar energy, and we are all seeing large utility-scale projects to collect maximum amperes from the sun using current technologies. Solar PV is now on the rise as a means of harvesting energy from the sun. Moving a step further, our project is focused on designing an All-in-one portable Solar Energy based solution. We considered the minimum load conditions and evaluated the requirements of various devices utilized in this study to resolve the power requirements of small stores, hawkers, or travelers.

Keywords: DOD-depth of discharge, pulse width modulation charge controller, renewable energy, solar PV- solar photovoltaic

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687 Monitoring of 53 Contaminants of Emerging Concern: Occurrence in Effluents, Sludges, and Surface Waters Upstream and Downstream of 7 Wastewater Treatment Plants

Authors: Azziz Assoumani, Francois Lestremau, Celine Ferret, Benedicte Lepot, Morgane Salomon, Helene Budzinski, Marie-Helene Devier, Pierre Labadie, Karyn Le Menach, Patrick Pardon, Laure Wiest, Emmanuelle Vulliet, Pierre-Francois Staub

Abstract:

Seven French wastewater treatment plants (WWTP) were monitored for 53 contaminants of emerging concern within a nation-wide monitoring campaign in surface waters, which took place in 2018. The overall objective of the 2018 campaign was to provide the exercise of prioritization of emerging substances, which is being carried out in 2021, with monitoring data. This exercise should make it possible to update the list of relevant substances to be monitored (SPAS) as part of future water framework directive monitoring programmes, which will be implemented in the next water body management cycle (2022). One sampling campaign was performed in October 2018 in the seven WWTP, where affluent and sludge samples were collected. Surface water samples were collected in September 2018 at three to five sites upstream and downstream the point of effluent discharge of each WWTP. The contaminants (36 biocides and 17 surfactants, selected by the Prioritization Experts Committee) were determined in the seven WWTP effluent and sludge samples and in surface water samples by liquid or gas chromatography coupled with tandem mass spectrometry, depending on the contaminant. Nine surfactants and three biocides were quantified at least in one WWTP effluent sample. Linear alkylbenzene sulfonic acids (LAS) and fipronil were quantified in all samples; the LAS were quantified at the highest median concentrations. Twelve surfactants and 13 biocides were quantified in at least one sludge sample. The LAS and didecyldimethylammonium were quantified in all samples and at the highest median concentrations. Higher concentration levels of the substances quantified in WWTP effluent samples were observed in the surface water samples collected downstream the effluents discharge points, compared with the samples collected upstream, suggesting a contribution of the WWTP effluents in the contamination of surface waters.

Keywords: contaminants of emerging concern, effluent, monitoring, river water, sludge

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686 Recovery of Iodide Ion from TFT-LCD Wastewater by Forward Osmosis

Authors: Yu-Ting Chen, Shiao-Shing Chen, Hung-Te Hsu, Saikat Sinha Ray

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Forward osmosis (FO) is a crucial technology with low operating pressure and cost for water reuse and reclamation. In Taiwan, with the advance of science and technology, thin film transistor liquid crystal displays (TFT-LCD) based industries are growing exponentially. In the optoelectronic industry wastewater, the iodide is one of the valuable element; it is also used in the medical industry. In this study, it was intended to concentrate iodide by utilizing FO system and can be reused for TFT-LCD production. Cellulose triacetate (CTA) membranes were used for all these FO experiments, and potassium iodide solution was used as the feed solution. It has been found that EDTA-2Na as draw solution at pH 8 produced high water flux and minimized salt leakage. The result also demonstrated that EDTA-2Na of concentration 0.6M could achieve the highest water flux (6.69L/m2 h). Additionally, from the recovered iodide ion from pH 3-8, the I- species was found to be more than 99%, whereas I2 was measured to be less than 1%. When potassium iodide solution was used from low to high concentration (1000 ppm to 10000 ppm), the iodide rejection was found to be than more 90%. Since, CTA membrane is negatively charged and I- is anionic in nature, so it will from electrostatic repulsion and hence there will be higher rejection. The overall performance demonstrates that recovery of concentrated iodide using FO system is a promising technology.

Keywords: draw solution, EDTA-2Na, forward osmosis, potassium iodide

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685 Adsorption of Congo Red from Aqueous Solution by Raw Clay: A Fixed Bed Column Study

Authors: A. Ghribi, M. Bagane

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The discharge of dye in industrial effluents is of great concern because their presence and accumulation have a toxic or carcinogenic effect on living species. The removals of such compounds at such low levels are a difficult problem. Physicochemical technique such as coagulation, flocculation, ozonation, reverse osmosis and adsorption on activated carbon, manganese oxide, silica gel and clay are among the methods employed. The adsorption process is an effective and attractive proposition for the treatment of dye contaminated wastewater. Activated carbon adsorption in fixed beds is a very common technology in the treatment of water and especially in processes of decolouration. However, it is expensive and the powdered one is difficult to be separated from aquatic system when it becomes exhausted or the effluent reaches the maximum allowable discharge level. The regeneration of exhausted activated carbon by chemical and thermal procedure is also expensive and results in loss of the sorbent. Dye molecules also have very high affinity for clay surfaces and are readily adsorbed when added to clay suspension. The elimination of the organic dye by clay was studied by serval researchers. The focus of this research was to evaluate the adsorption potential of the raw clay in removing congo red from aqueous solutions using a laboratory fixed-bed column. The continuous sorption process was conducted in this study in order to simulate industrial conditions. The effect of process parameters, such as inlet flow rate, adsorbent bed height and initial adsorbate concentration on the shape of breakthrough curves was investigated. A glass column with an internal diameter of 1.5 cm and height of 30 cm was used as a fixed-bed column. The pH of feed solution was set at 7.Experiments were carried out at different bed heights (5-20 cm), influent flow rates (1.6- 8 mL/min) and influent congo red concentrations (10-50 mg/L). The obtained results showed that the adsorption capacity increases with the bed depth and the initial concentration and it decreases at higher flow rate. The column regeneration was possible for four adsorption–desorption cycles. The clay column study states the value of the excellent adsorption capacity for the removal of congo red from aqueous solution. Uptake of congo red through a fixed-bed column was dependent on the bed depth, influent congo red concentration and flow rate.

Keywords: adsorption, breakthrough curve, clay, congo red, fixed bed column, regeneration

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684 Automation of Process Waste-Free Air Filtration in Production of Concrete, Reinforced with Basalt Fiber

Authors: Stanislav Perepechko

Abstract:

Industrial companies - one of the major sources of harmful substances to the atmosphere. The main cause of pollution on the concrete plants are cement dust emissions. All the cement silos, pneumatic transport, and ventilation systems equipped with filters, to avoid this. Today, many Russian companies have to decide on replacement morally and physically outdated filters and guided back to the electrostatic filters as usual equipment. The offered way of a cleaning of waste-free filtering of air differs in the fact that a filtering medium of the filter is used in concrete manufacture. Basalt is widespread and pollution-free material. In the course of cleaning, one part of basalt fiber and cement immediately goes to the mixer through flow-control units of initial basalt fiber and cement. Another part of basalt fiber goes to filters for purification of the air used in systems of an air lift, and ventilating emissions passes through them, and with trapped particles also goes to the mixer through flow-control units of the basalt fiber fulfilled in filters. At the same time, regulators are adjusted in such a way that total supply of basalt fiber and cement into the mixer remains invariable and corresponds to a given technological mode.

Keywords: waste-free air filtration, concrete, basalt fiber, building automation

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683 Atmospheric Plasma Treatment to Improve Water and Oil Repellent Finishing for PET and PET/Spandex Fabrics

Authors: Mehtap Çalışkan, Nilüfer Yıldız Varan, Volkan Kaplan

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In this study, the effects of an atmospheric plasma treatment on the durability of water and oil repellent finishes of PET and PET/Spandex fabrics were tested. Fabrics were treated with a low-frequency atmospheric pressure glow discharge. After plasma treatments, the water and oil repellent finishes were applied using pad-dry-cure method. It was observed that plasma treatments improved the durability finish for all fabrics.

Keywords: atmospheric plasma, durable coating, oil repellency, PET/spandex fabrics, water repellency

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682 A Wireless Sensor System for Continuous Monitoring of Particulate Air Pollution

Authors: A. Yawootti, P. Intra, P. Sardyoung, P. Phoosomma, R. Puttipattanasak, S. Leeragreephol, N. Tippayawong

Abstract:

The aim of this work is to design, develop and test the low-cost implementation of a particulate air pollution sensor system for continuous monitoring of outdoors and indoors particulate air pollution at a lower cost than existing instruments. In this study, measuring electrostatic charge of particles technique via high efficiency particulate-free air filter was carried out. The developed detector consists of a PM10 impactor, a particle charger, a Faraday cup electrometer, a flow meter and controller, a vacuum pump, a DC high voltage power supply and a data processing and control unit. It was reported that the developed detector was capable of measuring mass concentration of particulate ranging from 0 to 500 µg/m3 corresponding to number concentration of particulate ranging from 106 to 1012 particles/m3 with measurement time less than 1 sec. The measurement data of the sensor connects to the internet through a GSM connection to a public cellular network. In this development, the apparatus was applied the energy by a 12 V, 7 A internal battery for continuous measurement of about 20 hours. Finally, the developed apparatus was found to be close agreement with the import standard instrument, portable and benefit for air pollution and particulate matter measurements.

Keywords: particulate, air pollution, wireless communication, sensor

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681 Study on Runoff Allocation Responsibilities of Different Land Uses in a Single Catchment Area

Authors: Chuan-Ming Tung, Jin-Cheng Fu, Chia-En Feng

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In recent years, the rapid development of urban land in Taiwan has led to the constant increase of the areas of impervious surface, which has increased the risk of waterlogging during heavy rainfall. Therefore, in recent years, promoting runoff allocation responsibilities has often been used as a means of reducing regional flooding. In this study, the single catchment area covering both urban and rural land as the study area is discussed. Based on Storm Water Management Model, urban and rural land in a single catchment area was explored to develop the runoff allocation responsibilities according to their respective control regulation on land use. The impacts of runoff increment and reduction in sub-catchment area were studied to understand the impact of highly developed urban land on the reduction of flood risk of rural land at the back end. The results showed that the rainfall with 1 hour short delay of 2 years, 5 years, 10 years, and 25 years return period. If the study area was fully developed, the peak discharge at the outlet would increase by 24.46% -22.97% without runoff allocation responsibilities. The front-end urban land would increase runoff from back-end of rural land by 76.19% -46.51%. However, if runoff allocation responsibilities were carried out in the study area, the peak discharge could be reduced by 58.38-63.08%, which could make the front-end to reduce 54.05% -23.81% of the peak flow to the back-end. In addition, the researchers found that if it was seen from the perspective of runoff allocation responsibilities of per unit area, the residential area of urban land would benefit from the relevant laws and regulations of the urban system, which would have a better effect of reducing flood than the residential land in rural land. For rural land, the development scale of residential land was generally small, which made the effect of flood reduction better than that of industrial land. Agricultural land requires a large area of land, resulting in the lowest share of the flow per unit area. From the point of the planners, this study suggests that for the rural land around the city, its responsibility should be assigned to share the runoff. And setting up rain water storage facilities in the same way as urban land, can also take stock of agricultural land resources to increase the ridge of field for flood storage, in order to improve regional disaster reduction capacity and resilience.

Keywords: runoff allocation responsibilities, land use, flood mitigation, SWMM

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680 Design and Fabrication of an Electrostatically Actuated Parallel-Plate Mirror by 3D-Printer

Authors: J. Mizuno, S. Takahashi

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In this paper, design and fabrication of an actuated parallel-plate mirror based on a 3D-printer is described. The mirror and electrode layers are fabricated separately and assembled thereafter. The alignment is performed by dowel pin-hole pairs fabricated on the respective layers. The electrodes are formed on the surface of the electrode layer by Au ion sputtering using a suitable mask, which is also fabricated by a 3D-printer.For grounding the mirror layer, except the contact area with the electrode paths, all the surface is Au ion sputtered. 3D-printers are widely used for creating 3D models or mock-ups. The authors have recently proposed that these models can perform electromechanical functions such as actuators by suitably masking them followed by metallization process. Since the smallest possible fabrication size is in the order of sub-millimeters, these electromechanical devices are named by the authors as SMEMS (Sub-Milli Electro-Mechanical Systems) devices. The proposed mirror described in this paper which consists of parallel-plate electrostatic actuators is also one type of SMEMS devices. In addition, SMEMS is totally environment-clean compared to MEMS (Micro Electro-Mechanical Systems) fabrication processes because any hazardous chemicals or gases are utilized.

Keywords: MEMS, parallel-plate mirror, SMEMS, 3D-printer

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679 Partial Discharge Characteristics of Free- Moving Particles in HVDC-GIS

Authors: Philipp Wenger, Michael Beltle, Stefan Tenbohlen, Uwe Riechert

Abstract:

The integration of renewable energy introduces new challenges to the transmission grid, as the power generation is located far from load centers. The associated necessary long-range power transmission increases the demand for high voltage direct current (HVDC) transmission lines and DC distribution grids. HVDC gas-insulated switchgears (GIS) are considered being a key technology, due to the combination of the DC technology and the long operation experiences of AC-GIS. To ensure long-term reliability of such systems, insulation defects must be detected in an early stage. Operational experience with AC systems has proven evidence, that most failures, which can be attributed to breakdowns of the insulation system, can be detected and identified via partial discharge (PD) measurements beforehand. In AC systems the identification of defects relies on the phase resolved partial discharge pattern (PRPD). Since there is no phase information within DC systems this method cannot be transferred to DC PD diagnostic. Furthermore, the behaviour of e.g. free-moving particles differs significantly at DC: Under the influence of a constant direct electric field, charge carriers can accumulate on particles’ surfaces. As a result, a particle can lift-off, oscillate between the inner conductor and the enclosure or rapidly bounces at just one electrode, which is known as firefly motion. Depending on the motion and the relative position of the particle to the electrodes, broadband electromagnetic PD pulses are emitted, which can be recorded by ultra-high frequency (UHF) measuring methods. PDs are often accompanied by light emissions at the particle’s tip which enables optical detection. This contribution investigates PD characteristics of free moving metallic particles in a commercially available 300 kV SF6-insulated HVDC-GIS. The influences of various defect parameters on the particle motion and the PD characteristic are evaluated experimentally. Several particle geometries, such as cylinder, lamella, spiral and sphere with different length, diameter and weight are determined. The applied DC voltage is increased stepwise from inception voltage up to UDC = ± 400 kV. Different physical detection methods are used simultaneously in a time-synchronized setup. Firstly, the electromagnetic waves emitted by the particle are recorded by an UHF measuring system. Secondly, a photomultiplier tube (PMT) detects light emission with a wavelength in the range of λ = 185…870 nm. Thirdly, a high-speed camera (HSC) tracks the particle’s motion trajectory with high accuracy. Furthermore, an electrically insulated electrode is attached to the grounded enclosure and connected to a current shunt in order to detect low frequency ion currents: The shunt measuring system’s sensitivity is in the range of 10 nA at a measuring bandwidth of bw = DC…1 MHz. Currents of charge carriers, which are generated at the particle’s tip migrate through the gas gap to the electrode and can be recorded by the current shunt. All recorded PD signals are analyzed in order to identify characteristic properties of different particles. This includes e.g. repetition rates and amplitudes of successive pulses, characteristic frequency ranges and detected signal energy of single PD pulses. Concluding, an advanced understanding of underlying physical phenomena particle motion in direct electric field can be derived.

Keywords: current shunt, free moving particles, high-speed imaging, HVDC-GIS, UHF

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678 Templating Copper on Polymer/DNA Hybrid Nanowires

Authors: Mahdi Almaky, Reda Hassanin, Benjamin Horrocks, Andrew Houlton

Abstract:

DNA-templated poly(N-substituted pyrrole)bipyridinium nanowires were synthesised at room temperature using the chemical oxidation method. The resulting CPs/DNA hybrids have been characterised using electronic and vibrational spectroscopic methods especially Ultraviolet-Visible (UV-Vis) spectroscopy and FTIR spectroscpy. The nanowires morphology was characterised using Atomic Force Microscopy (AFM). The electrical properties of the prepared nanowires were characterised using Electrostatic Force Microscopy (EFM), and measured using conductive AFM (c-AFM) and two terminal I/V technique, where the temperature dependence of the conductivity was probed. The conductivities of the prepared CPs/DNA nanowires are generally lower than PPy/DNA nanowires showingthe large effect on N-alkylation in decreasing the conductivity of the polymer, butthese are higher than the conductivity of their corresponding bulk films.This enhancement in conductivity could be attributed to the ordering of the polymer chains on DNA during the templating process. The prepared CPs/DNA nanowires were used as templates for the growth of copper nanowires at room temperature using aqueous solution of Cu(NO3)2as a source of Cu2+ and ascorbic acid as reducing agent. AFM images showed that these nanowires were uniform and continuous compared to copper nanowires prepared using the templating method directly onto DNA. Electrical characterization of the nanowires by c AFM revealed slight improvement in conductivity of these nanowires (Cu-CPs/DNA) compared to CPs/DNA nanowires before metallisation.

Keywords: templating, copper nanowires, polymer/DNA hybrid, chemical oxidation method

Procedia PDF Downloads 363
677 Recovery of Metals from Electronic Waste by Physical and Chemical Recycling Processes

Authors: Muammer Kaya

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The main purpose of this article is to provide a comprehensive review of various physical and chemical processes for electronic waste (e-waste) recycling, their advantages and shortfalls towards achieving a cleaner process of waste utilization, with especial attention towards extraction of metallic values. Current status and future perspectives of waste printed circuit boards (PCBs) recycling are described. E-waste characterization, dismantling/ disassembly methods, liberation and classification processes, composition determination techniques are covered. Manual selective dismantling and metal-nonmetal liberation at – 150 µm at two step crushing are found to be the best. After size reduction, mainly physical separation/concentration processes employing gravity, electrostatic, magnetic separators, froth floatation etc., which are commonly used in mineral processing, have been critically reviewed here for separation of metals and non-metals, along with useful utilizations of the non-metallic materials. The recovery of metals from e-waste material after physical separation through pyrometallurgical, hydrometallurgical or biohydrometallurgical routes is also discussed along with purification and refining and some suitable flowsheets are also given. It seems that hydrometallurgical route will be a key player in the base and precious metals recoveries from e-waste. E-waste recycling will be a very important sector in the near future from economic and environmental perspectives.

Keywords: e-waste, WEEE, recycling, metal recovery, hydrometallurgy, pirometallurgy, biometallurgy

Procedia PDF Downloads 356
676 Catalyst Assisted Microwave Plasma for NOx Formation

Authors: Babak Sadeghi, Rony Snyders, Marie-Paule.Delplancke-Ogletree

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Nitrogen fixation (NF) is one of the crucial industrial processes. Many attempts have been made in order to artificially fix nitrogen, and among them, the Haber-Bosch’s (H-B) process is widely used. However, it presents two major drawbacks: huge fossil feedstock consumption and noticeable greenhouse gases emission. It is, therefore, necessary to develop alternatives. Plasma technology, as an inherent “green” technology, is considered to have a great potential for reducing the environmental impacts and improving the energy efficiency of the NF process. In this work, we have studied the catalyst assisted microwave plasma for NF application. Heterogeneous catalysts of MoO₃, with various loads 0, 5, 10, 20, and 30 wt%, supported on γ-alumina were prepared by conventional wet impregnation. Crystallinity, surface area, pore size, and microstructure were obtained by X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET) adsorption isotherm, Scanning electron microscopy (SEM), and Transmission electron microscopy (TEM). The XRD patterns of calcined alumina confirm the γ- phase. Characteristic picks of MoO₃ could not be observed for low loads (< 20 wt%), likely indicating a high dispersion of metal oxide over the support. The specific surface area along with pores size are decreasing with increasing calcination temperature and MoO₃ loading. The MoO₃ loading does not modify the microstructure. TEM and SEM results for loading inferior to 20 wt% are coherent with a monolayer of MoO₃ on the support as proposed elsewhere. For loading of 20 wt% and more, TEM and Electron diffraction (ED) show nanocrystalline ₃-D MoO₃ particles. The catalytic performances of these catalysts were investigated in the post-discharge of a microwave plasma for NOx formation from N₂/O₂ mixtures. The plasma is sustained by a surface wave launched in a quartz tube via a surfaguide supplied by a 2.45 GHz microwave generator in pulse mode. In-situ identification and quantification of the products were carried out by Fourier-transform infrared spectroscopy (FTIR) in the post-discharge region. FTIR analysis of the exhausted gas reveal NO and NO₂ bands in presence of catalyst while only NO band were assigned without catalyst. On the other hand, in presence of catalyst, a 10% increase of NOₓ formation and of 20% increase in energy efficiency are observed.

Keywords: γ-Al2O₃-MoO₃, µ-waveplasma, N2 fixation, Plasma-catalysis, Plasma diagnostic

Procedia PDF Downloads 176
675 Combination of Electrodialysis and Electrodeionization for Treatment of Condensate from Ammonium Nitrate Production

Authors: Lubomir Machuca, Vit Fara

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Ammonium nitrate (AN) is produced by the reaction of ammonia and nitric acid, and a waste condensate is obtained. The condensate contains pure AN in concentration up to 10g/L. The salt content in the condensate is too high to discharge immediately into the river thus it must be treated. This study is concerned with the treatment of condensates from an industrial AN production by combination of electrodialysis (ED) and electrodeionization (EDI). The condensate concentration was in range 1.9–2.5g/L of AN. A pilot ED module with 25 membrane pairs following by a laboratory EDI module with 10 membrane pairs operated continuously during 800 hours. Results confirmed that the combination of ED and EDI is suitable for the condensate treatment.

Keywords: desalination, electrodialysis, electrodeionization, fertilizer industry

Procedia PDF Downloads 240
674 Solar-Electric Pump-out Boat Technology: Impacts on the Marine Environment, Public Health, and Climate Change

Authors: Joy Chiu, Colin Hemez, Emma Ryan, Jia Sun, Robert Dubrow, Michael Pascucilla

Abstract:

The popularity of recreational boating is on the rise in the United States, which raises numerous national-level challenges in the management of air and water pollution, aquatic habitat destruction, and waterway access. The need to control sewage discharge from recreational vessels underlies all of these challenges. The release of raw human waste into aquatic environments can lead to eutrophication and algal blooms; can increase human exposure to pathogenic viruses, bacteria, and parasites; can financially impact commercial shellfish harvest/fisheries and marine bathing areas; and can negatively affect access to recreational and/or commercial waterways to the detriment of local economies. Because of the damage that unregulated sewage discharge can do to environments and human health/marine life, recreational vessels in the United States are required by law to 'pump-out' sewage from their holding tanks into sewage treatment systems in all designated 'no discharge areas'. Many pump-out boats, which transfer waste out of recreational vessels, are operated and maintained using funds allocated through the Federal Clean Vessel Act (CVA). The East Shore District Health Department of Branford, Connecticut is protecting this estuary by pioneering the design and construction of the first-in-the-nation zero-emissions, the solar-electric pump-out boat of its size to replace one of its older traditional gasoline-powered models through a Connecticut Department of Energy and Environmental Protection CVA Grant. This study, conducted in collaboration with the East Shore District Health Department, the Connecticut Department of Energy and Environmental Protection, States Organization for Boating Access and Connecticut’s CVA program coordinators, had two aims: (1) To perform a national assessment of pump-out boat programs, supplemented by a limited international assessment, to establish best pump-out boat practices (regardless of how the boat is powered); and (2) to estimate the cost, greenhouse gas emissions, and environmental and public health impacts of solar-electric versus traditional gasoline-powered pump-out boats. A national survey was conducted of all CVA-funded pump-out program managers and selected pump-out boat operators to gauge best practices; costs associated with gasoline-powered pump-out boat operation and management; and the regional, cultural, and policy-related issues that might arise from the adoption of solar-electric pump-out boat technology. We also conducted life-cycle analyses of gasoline-powered and solar-electric pump-out boats to compare their greenhouse gas emissions; production of air, soil and water pollution; and impacts on human health. This work comprises the most comprehensive study into pump-out boating practices in the United States to date, in which information obtained at local, state, national, and international levels is synthesized. This study aims to enable CVA programs to make informed recommendations for sustainable pump-out boating practices and identifies the challenges and opportunities that remain for the wide adoption of solar-electric pump-out boat technology.

Keywords: pump-out boat, marine water, solar-electric, zero emissions

Procedia PDF Downloads 128
673 The Mechanism Study on the Difference between High and Low Voltage Performance of Li3V2(PO4)3

Authors: Enhui Wang, Qingzhu Ou, Yan Tang, Xiaodong Guo

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As one of most popular polyanionic compounds in lithium-ion cathode materials, Li3V2(PO4)3 has always suffered from the low rate capability especially during 3~4.8V, which is considered to be related with the ion diffusion resistance and structural transformation during the Li+ de/intercalation. Here, as the change of cut-off voltages, cycling numbers and current densities, the process of SEI interfacial film’s formation-growing- destruction-repair on the surface of the cathode, the structural transformation during the charge and discharge, the de/intercalation kinetics reflected by the electrochemical impedance and the diffusion coefficient, have been investigated in detail. Current density, cycle numbers and cut-off voltage impacting on interfacial film and structure was studied specifically. Firstly, the matching between electrolyte and material was investigated, it turned out that the batteries with high voltage electrolyte showed the best electrochemical performance and high voltage electrolyte would be the best electrolyte. Secondly, AC impedance technology was used to study the changes of interface impedance and lithium ion diffusion coefficient, the results showed that current density, cycle numbers and cut-off voltage influenced the interfacial film together and the one who changed the interfacial properties most was the key factor. Scanning electron microscopy (SEM) analysis confirmed that the attenuation of discharge specific capacity was associated with the destruction and repair process of the SEI film. Thirdly, the X-ray diffraction was used to study the changes of structure, which was also impacted by current density, cycle numbers and cut-off voltage. The results indicated that the cell volume of Li3V2 (PO4 )3 increased as the current density increased; cycle numbers merely influenced the structure of material; the cell volume decreased first and moved back gradually after two Li-ion had been deintercalated as the charging cut-off voltage increased, and increased as the intercalation number of Li-ion increased during the discharging process. Then, the results which studied the changes of interface impedance and lithium ion diffusion coefficient turned out that the interface impedance and lithium ion diffusion coefficient increased when the cut-off voltage passed the voltage platforms and decreased when the cut-off voltage was between voltage platforms. Finally, three-electrode system was first adopted to test the activation energy of the system, the results indicated that the activation energy of the three-electrode system (22.385 KJ /mol) was much smaller than that of two-electrode system (40.064 KJ /mol).

Keywords: cut-off voltage, de/intercalation kinetics, solid electrolyte interphase film, structural transformation

Procedia PDF Downloads 296
672 Strongly Coupled Finite Element Formulation of Electromechanical Systems with Integrated Mesh Morphing Using Radial Basis Functions

Authors: David Kriebel, Jan Edgar Mehner

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The paper introduces a method to efficiently simulate nonlinear changing electrostatic fields occurring in micro-electromechanical systems (MEMS). Large deflections of the capacitor electrodes usually introduce nonlinear electromechanical forces on the mechanical system. Traditional finite element methods require a time-consuming remeshing process to capture exact results for this physical domain interaction. In order to accelerate the simulation process and eliminate the remeshing process, a formulation of a strongly coupled electromechanical transducer element will be introduced, which uses a combination of finite-element with an advanced mesh morphing technique using radial basis functions (RBF). The RBF allows large geometrical changes of the electric field domain while retaining the high element quality of the deformed mesh. Coupling effects between mechanical and electrical domains are directly included within the element formulation. Fringing field effects are described accurately by using traditional arbitrary shape functions.

Keywords: electromechanical, electric field, transducer, simulation, modeling, finite-element, mesh morphing, radial basis function

Procedia PDF Downloads 242
671 Development of Three-Dimensional Groundwater Model for Al-Corridor Well Field, Amman–Zarqa Basin

Authors: Moayyad Shawaqfah, Ibtehal Alqdah, Amjad Adaileh

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Coridoor area (400 km2) lies to the north – east of Amman (60 km). It lies between 285-305 E longitude and 165-185 N latitude (according to Palestine Grid). It been subjected to exploitation of groundwater from new eleven wells since the 1999 with a total discharge of 11 MCM in addition to the previous discharge rate from the well field 14.7 MCM. Consequently, the aquifer balance is disturbed and a major decline in water level. Therefore, suitable groundwater resources management is required to overcome the problems of over pumping and its effect on groundwater quality. Three–dimensional groundwater flow model Processing Modeflow for Windows Pro (PMWIN PRO, 2003) has been used in order to calculate the groundwater budget, aquifer characteristics, and to predict the aquifer response under different stresses for the next 20 years (2035). The model was calibrated for steady state conditions by trial and error calibration. The calibration was performed by matching observed and calculated initial heads for year 2001. Drawdown data for period 2001-2010 were used to calibrate transient model by matching calculated with observed one, after that, the transient model was validated by using the drawdown data for the period 2011-2014. The hydraulic conductivities of the Basalt- A7/B2 aquifer System are ranging between 1.0 and 8.0 m/day. The low conductivity value was found at the north-west and south-western parts of the study area, the high conductivity value was found at north-western corner of the study area and the average storage coefficient is about 0.025. The water balance for the Basalt and B2/A7 formation at steady state condition with a discrepancy of 0.003%. The major inflows come from Jebal Al Arab through the basalt and through the limestone aquifer (B2/A7 12.28 MCMY aquifer and from excess rainfall is about 0.68 MCM/a. While the major outflows from the Basalt-B2/A7 aquifer system are toward Azraq basin with about 5.03 MCMY and leakage to A1/6 aquitard with 7.89 MCMY. Four scenarios have been performed to predict aquifer system responses under different conditions. Scenario no.2 was found to be the best one which indicates that the reduction the abstraction rates by 50% of current withdrawal rate (25.08 MCMY) to 12.54 MCMY. The maximum drawdowns were decreased to reach about, 7.67 and 8.38m in the years 2025 and 2035 respectively.

Keywords: Amman/Zarqa Basin, Jordan, groundwater management, groundwater modeling, modflow

Procedia PDF Downloads 216
670 Synthesis, Characterization, and Quantum Investigations on [3+2] Cycloaddition Reaction of Nitrile Oxide with 1,5-Benzodiazepine

Authors: Samir Hmaimou, Marouane Ait Lahcen, Mohamed Adardour, Mohamed Maatallah, Abdesselam Baouid

Abstract:

Due to (3 + 2) cycloaddition and condensation reaction, a wide range of synthetic routes can be used to obtain biologically active heterocyclic compounds. Condensation and (3+2) cycloaddition reactions in heterocyclic syntheses are versatile due to the wide variety of possible combinations of several atoms of the reactants. In this article, we first outline the synthesis of benzodiazepine 4 with two dipolarophilic centers (C=C and C=N) by condensation reaction. Then, we use it for cycloaddition reactions (3+2) with nitrile oxides to prepare oxadiazole-benzodiazepines and pyrazole-benzodiazepine compounds. ¹H and ¹³C NMR are used to establish all the structures of the synthesized products. These condensation and cycloaddition reactions were then analyzed using density functional theory (DFT) calculations at the B3LYP/6-311G(d,p) theoretical level. In this study, the mechanism of the one-step cycloaddition reaction was investigated. Molecular electrostatic potential (MEP) was used to identify the electrophilic and nucleophilic attack sites of the molecules studied. Additionally, Fukui investigations (electrophilic f- and nucleophilic f+) in the various reaction centers of the reactants demonstrate that, whether in the condensation reaction or cycloaddition, the reaction proceeds through the atomic centers with the most important Fukui functions, which is in full agreement with experimental observations. In the condensation reaction, thermodynamic control of regio, chemo, and stereoselectivity is observed, while those of cycloaddition are subject to kinetic control.

Keywords: cycloaddition reaction, regioselectivity, mechanism reaction, NMR analysis

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669 Synthesis, Density Functional Theory (DFT) and Antibacterial Studies of Highly Functionalized Novel Spiropyrrolidine 4-Quinolone-3-Carboxylic Acids Derived from 6-Acetyl Quinolone

Authors: Thangaraj Arasakumar, Athar Ata, Palathurai Subramaniam Mohan

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A series of novel 4-quinolone-3-carboxylic acid grafted spiropyrrolidines as new type of antibacterial agents were synthesized via multicomponent 1,3-dipolar cycloaddition reaction of an azomethine ylides with a newly prepared (E)-4-oxo-6-(3-phenyl-acryloyl)-1,4-dihydro-quinoline-3-carboxylic acids in high regioselectivity with good yields. The structure of cycloadduct characterized by FT IR, mass, 1H, 13C, 2D NMR techniques and elemental analysis. Structure and spectrometry of compound 8a has been investigated theoretically by using HF and DFT approach at B3LYP, M05-2x/6-31G* levels of theories. The optimized geometries and calculated vibrational frequencies are evaluated via comparison with experimental values. A good agreement is found between the measured and calculated values. The DFT studies support the molecular mechanism of this cycloaddition reaction and determine the molecular electrostatic potential and thermodynamic properties. Furthermore, the antibacterial activities of synthesized compounds were evaluated against Gram-positive bacteria (Staphylococcus aureus, Bacillus subtilis) and Gram-negative bacteria strains (Escherichia coli, Klebsiella pneumoniae). Among 21 compounds screened, 8f and 8p were found to be more active against tested bacteria.

Keywords: antibacterial activity, azomethine ylide, DFT calculation, spirooxindole

Procedia PDF Downloads 215