Search results for: invariant solution
4613 An Innovative High Energy Density Power Pack for Portable and Off-Grid Power Applications
Authors: Idit Avrahami, Alex Schechter, Lev Zakhvatkin
Abstract:
This research focuses on developing a compact and light Hydrogen Generator (HG), coupled with fuel cells (FC) to provide a High-Energy-Density Power-Pack (HEDPP) solution, which is 10 times Li-Ion batteries. The HEDPP is designed for portable & off-grid power applications such as Drones, UAVs, stationary off-grid power sources, unmanned marine vehicles, and more. Hydrogen gas provided by this device is delivered in the safest way as a chemical powder at room temperature and ambient pressure is activated only when the power is on. Hydrogen generation is based on a stabilized chemical reaction of Sodium Borohydride (SBH) and water. The proposed solution enables a ‘No Storage’ Hydrogen-based Power Pack. Hydrogen is produced and consumed on-the-spot, during operation; therefore, there’s no need for high-pressure hydrogen tanks, which are large, heavy, and unsafe. In addition to its high energy density, ease of use, and safety, the presented power pack has a significant advantage of versatility and deployment in numerous applications and scales. This patented HG was demonstrated using several prototypes in our lab and was proved to be feasible and highly efficient for several applications. For example, in applications where water is available (such as marine vehicles, water and sewage infrastructure, and stationary applications), the Energy Density of the suggested power pack may reach 2700-3000 Wh/kg, which is again more than 10 times higher than conventional lithium-ion batteries. In other applications (e.g., UAV or small vehicles) the energy density may exceed 1000 Wh/kg.Keywords: hydrogen energy, sodium borohydride, fixed-wing UAV, energy pack
Procedia PDF Downloads 784612 High Pressure Delignification Process for Nanocrystalline Cellulose Production from Agro-Waste Biomass
Authors: Sakinul Islam, Nhol Kao, Sati Bhattacharya, Rahul Gupta
Abstract:
Nanocrystalline cellulose (NCC) has been widely used for miscellaneous applications due to its superior properties over other nanomaterials. However, the major problems associated with the production of NCC are long reaction time, low production rate and inefficient process. The mass production of NCC within a short period of time is still a great challenge. The main objective of this study is to produce NCC from rice husk agro waste biomass from a high pressure delignification process (HPDP), followed by bleaching and hydrolysis processes. The HPDP has not been explored for NCC production from rice husk biomass (RHB) until now. In order to produce NCC, powder rice husk (PRH) was placed into a stainless steel reactor at 80 ˚C under 5 bars. Aqueous solution of NaOH (4M) was used for the dissolution of lignin and other amorphous impurities from PRH. After certain experimental times (1h, 3.5h and 6h), bleaching and hydrolysis were carried out on delignified samples. NaOCl (20%) and H2SO4 (4M) solutions were used for bleaching and hydrolysis processes, respectively. The NCC suspension from hydrolysis was sonicated and neutralized by buffer solution for various characterisations. Finally NCC suspension was dried and analyzed by FTIR, XRD, SEM, AFM and TEM. The chemical composition of NCC and PRH was estimated by TAPPI (Technical Association of Pulp and Paper Industry) standard methods to observe the product purity. It was found that, the 6h of the HPDP was more efficient to produce good quality NCC than that at 1h and 3.5h due to low separation of non-cellulosic components from RHB. The analyses indicated the crystallinity of NCC to be 71 %, particle size of 20-50 nm (diameter) and 100-200 nm in length.Keywords: nanocrystalline cellulose, NCC, high pressure delignification, bleaching, hydrolysis, agro-waste biomass
Procedia PDF Downloads 2584611 Rapid and Efficient Removal of Lead from Water Using Chitosan/Magnetite Nanoparticles
Authors: Othman M. Hakami, Abdul Jabbar Al-Rajab
Abstract:
Occurrence of heavy metals in water resources increased in the recent years albeit at low concentrations. Lead (PbII) is among the most important inorganic pollutants in ground and surface water. However, removal of this toxic metal efficiently from water is of public and scientific concern. In this study, we developed a rapid and efficient removal method of lead from water using chitosan/magnetite nanoparticles. A simple and effective process has been used to prepare chitosan/magnetite nanoparticles (NPs) (CS/Mag NPs) with effect on saturation magnetization value; the particles were strongly responsive to an external magnetic field making separation from solution possible in less than 2 minutes using a permanent magnet and the total Fe in solution was below the detection limit of ICP-OES (<0.19 mg L-1). The hydrodynamic particle size distribution increased from an average diameter of ~60 nm for Fe3O4 NPs to ~75 nm after chitosan coating. The feasibility of the prepared NPs for the adsorption and desorption of Pb(II) from water were evaluated using Chitosan/Magnetite NPs which showed a high removal efficiency for Pb(II) uptake, with 90% of Pb(II) removed during the first 5 minutes and equilibrium in less than 10 minutes. Maximum adsorption capacities for Pb(II) occurred at pH 6.0 and under room temperature were as high as 85.5 mg g-1, according to Langmuir isotherm model. Desorption of adsorbed Pb on CS/Mag NPs was evaluated using deionized water at different pH values ranged from 1 to 7 which was an effective eluent and did not result the destruction of NPs, then, they could subsequently be reused without any loss of their activity in further adsorption tests. Overall, our results showed the high efficiency of chitosan/magnetite nanoparticles (NPs) in lead removal from water in controlled conditions, and further studies should be realized in real field conditions.Keywords: chitosan, magnetite, water, treatment
Procedia PDF Downloads 3974610 Micro-Channel Flows Simulation Based on Nonlinear Coupled Constitutive Model
Authors: Qijiao He
Abstract:
MicroElectrical-Mechanical System (MEMS) is one of the most rapidly developing frontier research field both in theory study and applied technology. Micro-channel is a very important link component of MEMS. With the research and development of MEMS, the size of the micro-devices and the micro-channels becomes further smaller. Compared with the macroscale flow, the flow characteristics of gas in the micro-channel have changed, and the rarefaction effect appears obviously. However, for the rarefied gas and microscale flow, Navier-Stokes-Fourier (NSF) equations are no longer appropriate due to the breakup of the continuum hypothesis. A Nonlinear Coupled Constitutive Model (NCCM) has been derived from the Boltzmann equation to describe the characteristics of both continuum and rarefied gas flows. We apply the present scheme to simulate continuum and rarefied gas flows in a micro-channel structure. And for comparison, we apply other widely used methods which based on particle simulation or direct solution of distribution function, such as Direct simulation of Monte Carlo (DSMC), Unified Gas-Kinetic Scheme (UGKS) and Lattice Boltzmann Method (LBM), to simulate the flows. The results show that the present solution is in better agreement with the experimental data and the DSMC, UGKS and LBM results than the NSF results in rarefied cases but is in good agreement with the NSF results in continuum cases. And some characteristics of both continuum and rarefied gas flows are observed and analyzed.Keywords: continuum and rarefied gas flows, discontinuous Galerkin method, generalized hydrodynamic equations, numerical simulation
Procedia PDF Downloads 1614609 Comparative Performance Analysis for Selected Behavioral Learning Systems versus Ant Colony System Performance: Neural Network Approach
Authors: Hassan M. H. Mustafa
Abstract:
This piece of research addresses an interesting comparative analytical study. Which considers two concepts of diverse algorithmic computational intelligence approaches related tightly with Neural and Non-Neural Systems. The first algorithmic intelligent approach concerned with observed obtained practical results after three neural animal systems’ activities. Namely, they are Pavlov’s, and Thorndike’s experimental work. Besides a mouse’s trial during its movement inside figure of eight (8) maze, to reach an optimal solution for reconstruction problem. Conversely, second algorithmic intelligent approach originated from observed activities’ results for Non-Neural Ant Colony System (ACS). These results obtained after reaching an optimal solution while solving Traveling Sales-man Problem (TSP). Interestingly, the effect of increasing number of agents (either neurons or ants) on learning performance shown to be similar for both introduced systems. Finally, performance of both intelligent learning paradigms shown to be in agreement with learning convergence process searching for least mean square error LMS algorithm. While its application for training some Artificial Neural Network (ANN) models. Accordingly, adopted ANN modeling is a relevant and realistic tool to investigate observations and analyze performance for both selected computational intelligence (biological behavioral learning) systems.Keywords: artificial neural network modeling, animal learning, ant colony system, traveling salesman problem, computational biology
Procedia PDF Downloads 4674608 Removal of Chromium by UF5kDa Membrane: Its Characterization, Optimization of Parameters, and Evaluation of Coefficients
Authors: Bharti Verma, Chandrajit Balomajumder
Abstract:
Water pollution is escalated owing to industrialization and random ejection of one or more toxic heavy metal ions from the semiconductor industry, electroplating, metallurgical, mining, chemical manufacturing, tannery industries, etc., In semiconductor industry various kinds of chemicals in wafers preparation are used . Fluoride, toxic solvent, heavy metals, dyes and salts, suspended solids and chelating agents may be found in wastewater effluent of semiconductor manufacturing industry. Also in the chrome plating, in the electroplating industry, the effluent contains heavy amounts of Chromium. Since Cr(VI) is highly toxic, its exposure poses an acute risk of health. Also, its chronic exposure can even lead to mutagenesis and carcinogenesis. On the contrary, Cr (III) which is naturally occurring, is much less toxic than Cr(VI). Discharge limit of hexavalent chromium and trivalent chromium are 0.05 mg/L and 5 mg/L, respectively. There are numerous methods such as adsorption, chemical precipitation, membrane filtration, ion exchange, and electrochemical methods for the heavy metal removal. The present study focuses on the removal of Chromium ions by using flat sheet UF5kDa membrane. The Ultra filtration membrane process is operated above micro filtration membrane process. Thus separation achieved may be influenced due to the effect of Sieving and Donnan effect. Ultrafiltration is a promising method for the rejection of heavy metals like chromium, fluoride, cadmium, nickel, arsenic, etc. from effluent water. Benefits behind ultrafiltration process are that the operation is quite simple, the removal efficiency is high as compared to some other methods of removal and it is reliable. Polyamide membranes have been selected for the present study on rejection of Cr(VI) from feed solution. The objective of the current work is to examine the rejection of Cr(VI) from aqueous feed solutions by flat sheet UF5kDa membranes with different parameters such as pressure, feed concentration and pH of the feed. The experiments revealed that with increasing pressure, the removal efficiency of Cr(VI) is increased. Also, the effect of pH of feed solution, the initial dosage of chromium in the feed solution has been studied. The membrane has been characterized by FTIR, SEM and AFM before and after the run. The mass transfer coefficients have been estimated. Membrane transport parameters have been calculated and have been found to be in a good correlation with the applied model.Keywords: heavy metal removal, membrane process, waste water treatment, ultrafiltration
Procedia PDF Downloads 1354607 Towards Printed Green Time-Temperature Indicator
Authors: Mariia Zhuldybina, Ahmed Moulay, Mirko Torres, Mike Rozel, Ngoc-Duc Trinh, Chloé Bois
Abstract:
To reduce the global waste of perishable goods, a solution for monitoring and traceability of their environmental conditions is needed. Temperature is the most controllable environmental parameter determining the kinetics of physical, chemical, and microbial spoilage in food products. To store the time-temperature information, time-temperature indicator (TTI) is a promising solution. Printed electronics (PE) has shown a great potential to produce customized electronic devices using flexible substrates and inks with different functionalities. We propose to fabricate a hybrid printed TTI using environmentally friendly materials. The real-time TTI profile can be stored and transmitted to the smartphone via Near Field Communication (NFC). To ensure environmental performance, Canadian Green Electronics NSERC Network is developing green materials for the ink formulation with different functionalities. In terms of substrate, paper-based electronics has gained the great interest for utilization in a wide area of electronic systems because of their low costs in setup and methodology, as well as their eco-friendly fabrication technologies. The main objective is to deliver a prototype of TTI using small-scale printed techniques under typical printing conditions. All sub-components of the smart labels, including a memristor, a battery, an antenna compatible with NFC protocol, and a circuit compatible with integration performed by an offsite supplier will be fully printed with flexography or flat-bed screen printing.Keywords: NFC, printed electronics, time-temperature indicator, hybrid electronics
Procedia PDF Downloads 1594606 Modeling of Turbulent Flow for Two-Dimensional Backward-Facing Step Flow
Authors: Alex Fedoseyev
Abstract:
This study investigates a generalized hydrodynamic equation (GHE) simplified model for the simulation of turbulent flow over a two-dimensional backward-facing step (BFS) at Reynolds number Re=132000. The GHE were derived from the generalized Boltzmann equation (GBE). GBE was obtained by first principles from the chain of Bogolubov kinetic equations and considers particles of finite dimensions. The GHE has additional terms, temporal and spatial fluctuations, compared to the Navier-Stokes equations (NSE). These terms have a timescale multiplier τ, and the GHE becomes the NSE when $\tau$ is zero. The nondimensional τ is a product of the Reynolds number and the squared length scale ratio, τ=Re*(l/L)², where l is the apparent Kolmogorov length scale, and L is a hydrodynamic length scale. The BFS flow modeling results obtained by 2D calculations cannot match the experimental data for Re>450. One or two additional equations are required for the turbulence model to be added to the NSE, which typically has two to five parameters to be tuned for specific problems. It is shown that the GHE does not require an additional turbulence model, whereas the turbulent velocity results are in good agreement with the experimental results. A review of several studies on the simulation of flow over the BFS from 1980 to 2023 is provided. Most of these studies used different turbulence models when Re>1000. In this study, the 2D turbulent flow over a BFS with height H=L/3 (where L is the channel height) at Reynolds number Re=132000 was investigated using numerical solutions of the GHE (by a finite-element method) and compared to the solutions from the Navier-Stokes equations, k–ε turbulence model, and experimental results. The comparison included the velocity profiles at X/L=5.33 (near the end of the recirculation zone, available from the experiment), recirculation zone length, and velocity flow field. The mean velocity of NSE was obtained by averaging the solution over the number of time steps. The solution with a standard k −ε model shows a velocity profile at X/L=5.33, which has no backward flow. A standard k−ε model underpredicts the experimental recirculation zone length X/L=7.0∓0.5 by a substantial amount of 20-25%, and a more sophisticated turbulence model is needed for this problem. The obtained data confirm that the GHE results are in good agreement with the experimental results for turbulent flow over two-dimensional BFS. A turbulence model was not required in this case. The computations were stable. The solution time for the GHE is the same or less than that for the NSE and significantly less than that for the NSE with the turbulence model. The proposed approach was limited to 2D and only one Reynolds number. Further work will extend this approach to 3D flow and a higher Re.Keywords: backward-facing step, comparison with experimental data, generalized hydrodynamic equations, separation, reattachment, turbulent flow
Procedia PDF Downloads 544605 Some Inequalities Related with Starlike Log-Harmonic Mappings
Authors: Melike Aydoğan, Dürdane Öztürk
Abstract:
Let H(D) be the linear space of all analytic functions defined on the open unit disc. A log-harmonic mappings is a solution of the nonlinear elliptic partial differential equation where w(z) ∈ H(D) is second dilatation such that |w(z)| < 1 for all z ∈ D. The aim of this paper is to define some inequalities of starlike logharmonic functions of order α(0 ≤ α ≤ 1).Keywords: starlike log-harmonic functions, univalent functions, distortion theorem
Procedia PDF Downloads 5164604 Valorization of Waste Reverse Osmosis Desalination Brine and Crystallization Sequence Approach for Kainite Recovery
Authors: Ayoub Bouazza, Ali Faddouli, Said Amal, Rachid Benhida, Khaoula Khaless
Abstract:
Brine waste generated from reverse osmosis (RO) desalination plants contains various valuable compounds, mainly salts, trace elements, and organic matter. These wastes are up to two times saltier than standard seawater. Therefore, there is a strong economic interest in recovering these salts. The current practice in desalination plants is to reject the brine back to the sea, which affects the marine ecosystem and the environment. Our study aims to bring forth a reliable management solution for the valorisation of waste brines. Natural evaporation, isothermal evaporation at 25°C and 50°C, and evaporation using continuous heating were used to crystallize valuable salts from a reverse osmosis desalination plant brine located on the Moroccan Atlantic coast. The crystallization sequence of the brine was studied in comparison with standard seawater. The X-Ray Diffraction (XRD) of the precipitated solid phases showed similar results, where halite was the main solid phase precipitated from both the brine and seawater. However, Jänecke diagram prediction, along with FREZCHEM simulations, showed that Kainite should crystallize before Epsomite and Carnallite. As the absence of kainite formation in many experiments in the literature has been related to the metastability of kainite and the critical relative humidity conditions, and the precipitation of K–Mg salts is very sensitive to climatic conditions. An evaporation process is proposed as a solution to achieve the predicted crystallization path and to affirm the recovery of Kainite.Keywords: salts crystallization, reverse osmosis, solar evaporation, frezchem, ZLD
Procedia PDF Downloads 974603 Optimization of Mechanical Properties of Alginate Hydrogel for 3D Bio-Printing Self-Standing Scaffold Architecture for Tissue Engineering Applications
Authors: Ibtisam A. Abbas Al-Darkazly
Abstract:
In this study, the mechanical properties of alginate hydrogel material for self-standing 3D scaffold architecture with proper shape fidelity are investigated. In-lab built 3D bio-printer extrusion-based technology is utilized to fabricate 3D alginate scaffold constructs. The pressure, needle speed and stage speed are varied using a computer-controlled system. The experimental result indicates that the concentration of alginate solution, calcium chloride (CaCl2) cross-linking concentration and cross-linking ratios lead to the formation of alginate hydrogel with various gelation states. Besides, the gelling conditions, such as cross-linking reaction time and temperature also have a significant effect on the mechanical properties of alginate hydrogel. Various experimental tests such as the material gelation, the material spreading and the printability test for filament collapse as well as the swelling test were conducted to evaluate the fabricated 3D scaffold constructs. The result indicates that the fabricated 3D scaffold from composition of 3.5% wt alginate solution, that is prepared in DI water and 1% wt CaCl2 solution with cross-linking ratios of 7:3 show good printability and sustain good shape fidelity for more than 20 days, compared to alginate hydrogel that is prepared in a phosphate buffered saline (PBS). The fabricated self-standing 3D scaffold constructs measured 30 mm × 30 mm and consisted of 4 layers (n = 4) show good pore geometry and clear grid structure after printing. In addition, the percentage change of swelling degree exhibits high swelling capability with respect to time. The swelling test shows that the geometry of 3D alginate-scaffold construct and of the macro-pore are rarely changed, which indicates the capability of holding the shape fidelity during the incubation period. This study demonstrated that the mechanical and physical properties of alginate hydrogel could be tuned for a 3D bio-printing extrusion-based system to fabricate self-standing 3D scaffold soft structures. This 3D bioengineered scaffold provides a natural microenvironment present in the extracellular matrix of the tissue, which could be seeded with the biological cells to generate the desired 3D live tissue model for in vitro and in vivo tissue engineering applications.Keywords: biomaterial, calcium chloride, 3D bio-printing, extrusion, scaffold, sodium alginate, tissue engineering
Procedia PDF Downloads 1064602 Innovative Technology to Sustain Food Security in Qatar
Authors: Sana Abusin
Abstract:
Food security in Qatar is a research priority of Qatar University (2021-2025) and all national strategies, including the Qatar National Vision 2030 and food security strategy (2018-2023). Achieving food security requires three actions: 1) transforming surplus food to those who are insecure; 2) reducing food loss and waste by recycling food into valuable resources such as compost (“green fertilizer”) that can be used in growing food; and, finally, 3) establishing strong enforcement agencies to protect consumers from outdated food and promote healthy food. Currently, these objectives are approached separately and not in a sustainable fashion. Food security in Qatar is a research priority of Qatar University (2021-2025) and all national strategies, including the Qatar National Vision 2030 and food security strategy (2018-2023). The study aims to develop an innovative mobile application that supports a sustainable solution to food insecurity and food waste in Qatar. The application will provide a common solution for many different users. For producers, it will facilitate easy disposal of excess food. For charities, it will notify them about surplus food ready for redistribution. The application will also benefit the second layer of end-users in the form of food recycling companies, who will receive information about available food waste that is unable to be consumed. We will use self-exoplanetary diagrams and digital pictures to show all the steps to the final stage. The aim is to motivate the young generation toward innovation and creation, and to encourage public-private collaboration in this sector.Keywords: food security, innovative technology, sustainability, food waste, Qatar
Procedia PDF Downloads 1134601 Fungicidal Action of the Mycogenic Silver Nanoparticles Against Aspergillus niger Inciting Collar Rot Disease in Groundnut (Arachis hypogaea L.)
Authors: R. Sarada Jayalakshmi Devi B. Bhaskar, S. Khayum Ahammed, T. N. V. K. V. Prasad
Abstract:
Use of bioagents and biofungicides is safe to manage the plant diseases and to avoid human health hazards which improves food security. Myconanotechnology is the study of nanoparticles synthesis using fungi and their applications. The present work reports on preparation, characterization and antifungal activity of biogenic silver nanoparticles produced by the fungus Trichoderma sp. which was collected from groundnut rhizosphere. The culture filtrate of Trichoderma sp. was used for the reduction of silver ions (Ag+) in AgNO3 solution to the silver (Ag0) nanoparticles. The different ages (4 days, 6 days, 8 days, 12 days, and 15 days) of culture filtrates were screened for the synthesis of silver nanoparticles. Synthesized silver nanoparticles were characterized using UV-Vis spectrophotometer, particle size and zeta potential analyzer, Fourier Transform Infrared Spectrophotometer (FTIR) and Transmission Electron Microscopy. Among all the treatments the silver nitrate solution treated with six days aged culture filtrate of Trichoderma sp. showed the UV absorption peak at 440 nm with maximum intensity (0.59) after 24 hrs incubation. The TEM micrographs showed the spherical shaped silver nanoparticles with an average size of 30 nm. The antifungal activity of silver nanoparticles against Aspergillus niger causing collar rot disease in groundnut and aspergillosis in humans showed the highest per cent inhibition at 100 ppm concentration (74.8%). The results points to the usage of these mycogenic AgNPs in agriculture to control plant diseases.Keywords: groundnut rhizosphere, Trichoderma sp., silver nanoparticles synthesis, antifungal activity
Procedia PDF Downloads 4904600 Corrosion Behvaior of CS1018 in Various CO2 Capture Solvents
Authors: Aida Rafat, Ramazan Kahraman, Mert Atilhan
Abstract:
The aggressive corrosion behavior of conventional amine solvents is one of main barriers against large scale commerizaliation of amine absorption process for carbon capture application. Novel CO2 absorbents that exhibit minimal corrosivity against operation conditions are essential to lower corrosion damage and control and ensure more robustness in the capture plant. This work investigated corrosion behavior of carbon steel CS1018 in various CO2 absrobent solvents. The tested solvents included the classical amines MEA, DEA and MDEA, piperazine activated solvents MEA/PZ, MDEA/PZ and MEA/MDEA/PZ as well as mixtures of MEA and Room Temperature Ionic Liquids RTIL, namely MEA/[C4MIM][BF4] and MEA/[C4MIM][Otf]. Electrochemical polarization technique was used to determine the system corrosiveness in terms of corrosion rate and polarization behavior. The process parameters of interest were CO2 loading and solution temperature. Electrochemical resulted showed corrosivity order of classical amines at 40°C is MDEA> MEA > DEA wherase at 80°C corrosivity ranking changes to MEA > DEA > MDEA. Corrosivity rankings were mainly governed by CO2 absorption capacity at the test temperature. Corrosivity ranking for activated amines at 80°C was MEA/PZ > MDEA/PZ > MEA/MDEA/PZ. Piperazine addition seemed to have a dual advanatge in terms of enhancing CO2 absorption capacity as well as nullifying corrosion. For MEA/RTIL mixtures, the preliminary results showed that the partial repalcement of aqueous phase in MEA solution by the more stable nonvolatile RTIL solvents reduced corrosion rates considerably.Keywords: corrosion, amines, CO2 capture, piperazine, ionic liquids
Procedia PDF Downloads 4534599 Low Complexity Carrier Frequency Offset Estimation for Cooperative Orthogonal Frequency Division Multiplexing Communication Systems without Cyclic Prefix
Authors: Tsui-Tsai Lin
Abstract:
Cooperative orthogonal frequency division multiplexing (OFDM) transmission, which possesses the advantages of better connectivity, expanded coverage, and resistance to frequency selective fading, has been a more powerful solution for the physical layer in wireless communications. However, such a hybrid scheme suffers from the carrier frequency offset (CFO) effects inherited from the OFDM-based systems, which lead to a significant degradation in performance. In addition, insertion of a cyclic prefix (CP) at each symbol block head for combating inter-symbol interference will lead to a reduction in spectral efficiency. The design on the CFO estimation for the cooperative OFDM system without CP is a suspended problem. This motivates us to develop a low complexity CFO estimator for the cooperative OFDM decode-and-forward (DF) communication system without CP over the multipath fading channel. Especially, using a block-type pilot, the CFO estimation is first derived in accordance with the least square criterion. A reliable performance can be obtained through an exhaustive two-dimensional (2D) search with a penalty of heavy computational complexity. As a remedy, an alternative solution realized with an iteration approach is proposed for the CFO estimation. In contrast to the 2D-search estimator, the iterative method enjoys the advantage of the substantially reduced implementation complexity without sacrificing the estimate performance. Computer simulations have been presented to demonstrate the efficacy of the proposed CFO estimation.Keywords: cooperative transmission, orthogonal frequency division multiplexing (OFDM), carrier frequency offset, iteration
Procedia PDF Downloads 2614598 A Contemplation of Iranian Islamic Architecture in the Age of Globalization
Authors: Maziar Asefi, Safa Salkhi Khasraghi
Abstract:
Despite the great development of Islamic Architecture in its conquered lands, its active performance in a vast geographical area, faded by the advent of industrial age. Now in the Information Age with great advances in technologies and increased interconnection among many societies, every aspect of life is affected by rapid spreading phenomenon called globalization which resulted in the world with less regional and cultural boundaries. So being proudly globalized in the past and becoming inactive in today's globalized world puts Islamic Architecture in a great challenge. Indeed, its important role has changed from transmitting cultural values to the world to importing dominated values even defectively. This study aimed to determine the factors influenced this controversial situation of Islamic Architecture, especially in current age. The paper focuses on performance of Islamic architecture in relation with Globalization as an ancient process. So qualitative method in terms of logic analysis was chosen to evaluate how Islamic architecture of Iran has contributed in Globalization subject in different time periods. Several works were analyzed as case studies in three categories: religious, monumental, commercial utilities and climate element. Theoretical and practical findings indicate that there is a mutual relationship between Islamic Architecture and Globalization which is transformed from the active mode to passive mode gradually in three periods of Globalization: proto, modern and communication Globalization. The proposed solution in the response to this challenge is finding a solution that makes an equilibrium between science, art, and technology, as well as taking the global performance of architecture.Keywords: Islamic architecture, globalisation, the relationship among art, science and technology, Iranian architecture
Procedia PDF Downloads 2954597 Integrating Data Mining with Case-Based Reasoning for Diagnosing Sorghum Anthracnose
Authors: Mariamawit T. Belete
Abstract:
Cereal production and marketing are the means of livelihood for millions of households in Ethiopia. However, cereal production is constrained by technical and socio-economic factors. Among the technical factors, cereal crop diseases are the major contributing factors to the low yield. The aim of this research is to develop an integration of data mining and knowledge based system for sorghum anthracnose disease diagnosis that assists agriculture experts and development agents to make timely decisions. Anthracnose diagnosing systems gather information from Melkassa agricultural research center and attempt to score anthracnose severity scale. Empirical research is designed for data exploration, modeling, and confirmatory procedures for testing hypothesis and prediction to draw a sound conclusion. WEKA (Waikato Environment for Knowledge Analysis) was employed for the modeling. Knowledge based system has come across a variety of approaches based on the knowledge representation method; case-based reasoning (CBR) is one of the popular approaches used in knowledge-based system. CBR is a problem solving strategy that uses previous cases to solve new problems. The system utilizes hidden knowledge extracted by employing clustering algorithms, specifically K-means clustering from sampled anthracnose dataset. Clustered cases with centroid value are mapped to jCOLIBRI, and then the integrator application is created using NetBeans with JDK 8.0.2. The important part of a case based reasoning model includes case retrieval; the similarity measuring stage, reuse; which allows domain expert to transfer retrieval case solution to suit for the current case, revise; to test the solution, and retain to store the confirmed solution to the case base for future use. Evaluation of the system was done for both system performance and user acceptance. For testing the prototype, seven test cases were used. Experimental result shows that the system achieves an average precision and recall values of 70% and 83%, respectively. User acceptance testing also performed by involving five domain experts, and an average of 83% acceptance is achieved. Although the result of this study is promising, however, further study should be done an investigation on hybrid approach such as rule based reasoning, and pictorial retrieval process are recommended.Keywords: sorghum anthracnose, data mining, case based reasoning, integration
Procedia PDF Downloads 744596 Bi-Criteria Vehicle Routing Problem for Possibility Environment
Authors: Bezhan Ghvaberidze
Abstract:
A multiple criteria optimization approach for the solution of the Fuzzy Vehicle Routing Problem (FVRP) is proposed. For the possibility environment the levels of movements between customers are calculated by the constructed simulation interactive algorithm. The first criterion of the bi-criteria optimization problem - minimization of the expectation of total fuzzy travel time on closed routes is constructed for the FVRP. A new, second criterion – maximization of feasibility of movement on the closed routes is constructed by the Choquet finite averaging operator. The FVRP is reduced to the bi-criteria partitioning problem for the so called “promising” routes which were selected from the all admissible closed routes. The convenient selection of the “promising” routes allows us to solve the reduced problem in the real-time computing. For the numerical solution of the bi-criteria partitioning problem the -constraint approach is used. An exact algorithm is implemented based on D. Knuth’s Dancing Links technique and the algorithm DLX. The Main objective was to present the new approach for FVRP, when there are some difficulties while moving on the roads. This approach is called FVRP for extreme conditions (FVRP-EC) on the roads. Also, the aim of this paper was to construct the solving model of the constructed FVRP. Results are illustrated on the numerical example where all Pareto-optimal solutions are found. Also, an approach for more complex model FVRP with time windows was developed. A numerical example is presented in which optimal routes are constructed for extreme conditions on the roads.Keywords: combinatorial optimization, Fuzzy Vehicle routing problem, multiple objective programming, possibility theory
Procedia PDF Downloads 4774595 Portable Water Treatment for Flood Resilience
Authors: Alireza Abbassi Monjezi, Mohammad Hasan Shaheed
Abstract:
Flood, caused by excessive rainfall, monsoon, cyclone and tsunami is a common disaster in many countries of the world especially sea connected low-lying countries. A stand-alone self-powered water filtration module for decontamination of floodwater has been designed and modeled. A combination forward osmosis – low pressure reverse osmosis (FO-LPRO) system powered by solar photovoltaic-thermal (PVT) energy is investigated which could overcome the main barriers to water supply for remote areas and ensure off-grid filtration. The proposed system is designed to be small scale and portable to provide on-site potable water to communities that are no longer themselves mobile nor can be reached quickly by the aid agencies. FO is an osmotically driven process that uses osmotic pressure gradients to drive water across a controlled pore membrane from a feed solution (low osmotic pressure) to a draw solution (high osmotic pressure). This drops the demand for high hydraulic pressures and therefore the energy demand. There is also a tendency for lower fouling, easier fouling layer removal and higher water recovery. In addition, the efficiency of the PVT unit will be maximized through freshwater cooling which is integrated into the system. A filtration module with the capacity of 5 m3/day is modeled to treat floodwater and provide drinking water. The module can be used as a tool for disaster relief, particularly in the aftermath of flood and tsunami events.Keywords: flood resilience, membrane desalination, portable water treatment, solar energy
Procedia PDF Downloads 2854594 A Model for Helicopter Routing Problem
Authors: Aydin Sipahioglu, Gokhan Celik
Abstract:
Helicopter routing problem (HRP) is finding good tours for helicopter so as to pick up and deliver personnel or material among specified nodes, mutually. It can be encountered in case of being lots of supply and demand points for different commodities and requiring delivering commodities with helicopter. For instance, to deliver personnel or material from shore to oil rig is a good example. In fact, HRP is a branch of vehicle routing problem with pickup and delivery (VRPPD). However, it has additional constraints such that fuel capacity, performance of helicopter in different altitude and temperature, and the number of maximum takeoff and landing allowed. This kind of pickup and delivery problems can be classified into 3 groups, basically. 1-1 (one to one), M-M (many to many) and 1-M-1 (one to many to one). 1-1 means each commodity has only one supply and one demand point. M-M means there can be more than one supply and demand points for each kind of commodity. 1-M-1 means commodities at depot are delivered to demand points and commodities at customers are delivered to depot. In this case helicopter takes off from its own base, complete its tour and return to its own base. In this study, we define 1-M-M-1 type HRP. That means helicopter takes off from its home base, deliver commodities among the nodes as well as between depot and customers and return to its home base. These problems have NP-hard nature. Therefore, obtaining a good solution in a reasonable time is not easy. In this study, a model is offered for 1-M-M-1 type HRP. It is shown on small scale test instances that the model can find the optimal solution.Keywords: helicopter routing problem, vehicle routing with pickup and delivery, integer programming
Procedia PDF Downloads 4254593 Designing ZIF67 Derivatives Using Ammonia-Based Fluorine Complex as Structure-Directing Agent for Energy Storage Applications
Authors: Lu-Yin Lin
Abstract:
The morphology of electroactive material is highly related to energy storage ability. Structure-directing agent (SDA) can design electroactive materials with favorable surface properties. Zeolitic imidazolate framework 67 (ZIF67) is one of the potential electroactive materials for energy storage devices. The SDA concept is less applied to designing ZIF67 derivatives in previous studies. An in-situ technique with ammonium fluoride (NH₄F) as SDA is proposed to produce a ZIF67 derivative with highly improved energy storage ability. Attracted by the effective in-situ technique, the NH₄F, ammonium bifluoride (NH₄HF₂), and ammonium tetrafluoroborate (NH₄BF₄) are first used as SDA to synthesize ZIF67 derivatives in one-step solution process as electroactive material of energy storage devices. The mechanisms of forming ZIF67 derivatives synthesized with different SDAs are discussed to explain the SDA effects on physical and electrochemical properties. The largest specific capacitance (CF) of 1527.0 Fg-¹ and the capacity of 296.9 mAhg-¹ are obtained for the ZIF67 derivative prepared using NH₄BF₄ as SDA. The energy storage device composed of the optimal ZIF67 derivative and carbon electrodes presents a maximum energy density of 15.1 Whkg-¹ at the power density of 857 Wkg-¹. The CF retention of 90% and Coulombic efficiency larger than 98% are also obtained after 5000 cycles.Keywords: ammonium bifluoride, ammonium tetrafluoroborate, energy storage device, one-step solution process, structure-directing agent, zeolitic imidazolate framework 67
Procedia PDF Downloads 704592 A Comparative Analysis Approach Based on Fuzzy AHP, TOPSIS and PROMETHEE for the Selection Problem of GSCM Solutions
Authors: Omar Boutkhoum, Mohamed Hanine, Abdessadek Bendarag
Abstract:
Sustainable economic growth is nowadays driving firms to extend toward the adoption of many green supply chain management (GSCM) solutions. However, the evaluation and selection of these solutions is a matter of concern that needs very serious decisions, involving complexity owing to the presence of various associated factors. To resolve this problem, a comparative analysis approach based on multi-criteria decision-making methods is proposed for adequate evaluation of sustainable supply chain management solutions. In the present paper, we propose an integrated decision-making model based on FAHP (Fuzzy Analytic Hierarchy Process), TOPSIS (Technique for Order of Preference by Similarity to Ideal Solution) and PROMETHEE (Preference Ranking Organisation METHod for Enrichment Evaluations) to contribute to a better understanding and development of new sustainable strategies for industrial organizations. Due to the varied importance of the selected criteria, FAHP is used to identify the evaluation criteria and assign the importance weights for each criterion, while TOPSIS and PROMETHEE methods employ these weighted criteria as inputs to evaluate and rank the alternatives. The main objective is to provide a comparative analysis based on TOPSIS and PROMETHEE processes to help make sound and reasoned decisions related to the selection problem of GSCM solution.Keywords: GSCM solutions, multi-criteria analysis, decision support system, TOPSIS, FAHP, PROMETHEE
Procedia PDF Downloads 1574591 Increase in the Shelf Life Anchovy (Engraulis ringens) from Flaying then Bleeding in a Sodium Citrate Solution
Authors: Santos Maza, Enzo Aldoradin, Carlos Pariona, Eliud Arpi, Maria Rosales
Abstract:
The objective of this study was to investigate the effect of flaying then bleeding anchovy (Engraulis ringens) immersed within a sodium citrate solution. Anchovy is a pelagic fish that readily deteriorates due to its high content of polyunsaturated fatty acids. As such, within the Peruvian food industry, the shelf life of frozen anchovy is explicitly 6 months, this short duration imparts a barrier to use for direct consumption human. Thus, almost all capture of anchovy by the fishing industry is eventually used in the production of fishmeal. We offer this an alternative to its typical production process in order to increase shelf life. In the present study, 100 kg of anchovies were captured and immediately mixed with ice on ship, maintaining a high quality sensory metric (e.g., with color blue in back) while still arriving for processing less than 2 h after capture. Anchovies with fat content of 3% were immediately flayed (i.e., reducing subcutaneous fat), beheaded, gutted and bled (i.e., removing hemoglobin) by immersion in water (Control) or in a solution of 2.5% sodium citrate (treatment), then subsequently frozen at -30 °C for 8 h in 2 kg batches. Subsequent glazing and storage at -25 °C for 14 months completed the experiments parameters. The peroxide value (PV), acidity (A), fatty acid profile (FAP), thiobarbituric acid reactive substances (TBARS), heme iron (HI), pH and sensory attributes of the samples were evaluated monthly. The results of the PV, TBARS, A, pH and sensory analyses displayed significant differences (p<0.05) between treatment and control sample; where the sodium citrate treated samples showed increased preservation features. Specifically, at the beginning of the study, flayed, beheaded, gutted and bled anchovies displayed low content of fat (1.5%) with moderate amount of PV, A and TBARS, and were not rejected by sensory analysis. HI values and FAP displayed varying behavior, however, results of HI did not reveal a decreasing trend. This result is indicative of the fact that levels of iron were maintained as HI and did not convert into no heme iron, which is known to be the primary catalyst of lipid oxidation in fish. According to the FAP results, the major quantity of fatty acid was of polyunsaturated fatty acid (PFA) followed by saturated fatty acid (SFA) and then monounsaturated fatty acid (MFA). According to sensory analysis, the shelf life of flayed, beheaded and gutted anchovy (control and treatment) was 14 months. This shelf life was reached at laboratory level because high quality anchovies were used and immediately flayed, beheaded, gutted, bled and frozen. Therefore, it is possible to maintain the shelf life of anchovies for a long time. Overall, this method displayed a large increase in shelf life relative to that commonly seen for anchovies in this industry. However, these results should be extrapolated at industrial scales to propose better processing conditions and improve the quality of anchovy for direct human consumption.Keywords: citrate sodium solution, heme iron, polyunsaturated fatty acids, shelf life of frozen anchovy
Procedia PDF Downloads 2844590 Bulk Electrical Resistivity of Geopolymer Mortars: The Effect of Binder Composition and Alkali Concentration
Authors: Mahdi Babaee, Arnaud Castel
Abstract:
One of the main hurdles for commercial adaptation of geopolymer concrete (GPC) as a low-embodied-carbon alternative for Portland cement concrete (PCC) is the durability aspects and its long-term performance in aggressive/corrosive environments. GPC is comparatively a new engineering material and in the absence of a track record of successful durability performance, proper experimental studies to investigate different durability-related characteristics of GPC seem inevitable. In this context, this paper aims to study the bulk electrical resistivity of geopolymer mortars fabricated of blends of low-calcium fly ash (FA) and ground granulated blast-furnace slag (GGBS). Bulk electrical resistivity is recognized as one of the most important parameters influencing the rate of corrosion of reinforcing bars during the propagation phase of corrosion. To investigate the effect of alkali concentration on the resistivity of the samples, 100x200 mm mortar cylinders were cast at different alkali concentration levels, whereas the modulus ratio (the molar ratio of SiO2/Na2O) was fixed for the mixes, and the bulk electrical resistivity was then measured. Also, the effect of the binder composition was assessed with respect to the ratio of FA to GGBS used. Results show a superior performance of samples with higher GGBS content. Lower concentration of the solution has increased the resistivity by reducing the amount of mobile alkali ions in the pore solution. Moreover, GGBS-based samples showed a much sharper increase in the electrical resistivity with decreasing the moisture content.Keywords: bulk resistivity, corrosion, durability, geopolymer concrete
Procedia PDF Downloads 2584589 Biomimetic Architecture from the Inspiration by Nature to the Innovation of the Saharan Architecture
Authors: Yassine Mohammed Benyoucef, Razin Andery Dionisovich
Abstract:
Biomimicry is an old approach, but in the scientific conceptualization is new, as an approach of innovation based on the emulation of Nature, in recent years, this approach brings many potential theories and innovations in the architecture field. Indeed, these innovations have changed our view towards other Natural organisms also to the design processes in architecture, now the use of the biomimicry approach allows the application of a great sustainable development. The Sahara area is heading towards a sustainable policy with the desire to develop this rich context in terms of architecture, because of the rapid evolution of the architectural and urban concepts and the technology acceleration in one side, and under the pressure of the architectural crisis and the accelerated urbanization in the Saharan cities on the other side, the imperatives of sustainable development, ecology, climate adaptation, energy needs, are strongly imposed. Besides that, the new architectural and urban projects in the Saharan cities are not reliable in terms of energy efficiency and design and relationship with the environment. This article discusses the using of biomimetic strategy in the sustainable development of Saharan architecture. The aim of the article is to present a synthesis of biomimicry approach and propose the biomimicry as a solution for the development of Saharan architecture which can use this approach as a sustainable and innovation strategy. The biomimicry is the solution for effective strategies of development and can have a great potential point to meet the current challenges of designing efficient for forms or structures, energy efficiency, and climate issues. Moreover, the Sahara can be a favorable soil for great changes, the use of this approach is the key for the most optimal strategies and sustainable development of the Saharan architecture.Keywords: biomimicry, Sahara, architecture, nature, innovation, technology
Procedia PDF Downloads 1844588 Modified Model-Based Systems Engineering Driven Approach for Defining Complex Energy Systems
Authors: Akshay S. Dalvi, Hazim El-Mounayri
Abstract:
The internal and the external interactions between the complex structural and behavioral characteristics of the complex energy system result in unpredictable emergent behaviors. These emergent behaviors are not well understood, especially when modeled using the traditional top-down systems engineering approach. The intrinsic nature of current complex energy systems has called for an elegant solution that provides an integrated framework in Model-Based Systems Engineering (MBSE). This paper mainly presents a MBSE driven approach to define and handle the complexity that arises due to emergent behaviors. The approach provides guidelines for developing system architecture that leverages in predicting the complexity index of the system at different levels of abstraction. A framework that integrates indefinite and definite modeling aspects is developed to determine the complexity that arises during the development phase of the system. This framework provides a workflow for modeling complex systems using Systems Modeling Language (SysML) that captures the system’s requirements, behavior, structure, and analytical aspects at both problem definition and solution levels. A system architecture for a district cooling plant is presented, which demonstrates the ability to predict the complexity index. The result suggests that complex energy systems like district cooling plant can be defined in an elegant manner using the unconventional modified MBSE driven approach that helps in estimating development time and cost.Keywords: district cooling plant, energy systems, framework, MBSE
Procedia PDF Downloads 1244587 An Academic Theory on a Sustainable Evaluation of Achatina Fulica Within Ethekwini, KwaZulu-Natal
Authors: Sibusiso Trevor Tshabalala, Samuel Lubbe, Vince Vuledzani Ndou
Abstract:
Dependency on chemicals has had many disadvantages in pest management control strategies. Such genetic rodenticide resistance and secondary exposure risk are what is currently being experienced. Emphasis on integrated pest management suggests that to control future pests, early intervention and economic threshold development are key starting points in crop production. The significance of this research project is to help establish a relationship between Giant African Land Snail (Achatina Fulica) solution extract, its shell chemical properties, and farmer’s perceptions of biological control in eThekwini Municipality Agri-hubs. A mixed design approach to collecting data will be explored using a trial layout in the field and through interviews. The experimental area will be explored using a split-plot design that will be replicated and arranged in a randomised complete block design. The split-plot will have 0, 10, 20 and 30 liters of water to one liter of snail solution extract. Plots were 50 m² each with a spacing of 12 m between each plot and a plant spacing of 0.5 m (inter-row) ‘and 0.5 m (intra-row). Trials will be irrigated using sprinkler irrigation, with objective two being added to the mix every 4-5 days. The expected outcome will be improved soil fertility and micro-organisms population proliferation.Keywords: giant african land snail, integrated pest management, photosynthesis, genetic rodenticide resistance, control future pests, shell chemical properties
Procedia PDF Downloads 974586 Study on Shelf Life and Textural Properties of Minimal Processed Mixed Fruits
Authors: Kaavya Rathnakumar
Abstract:
Minimally processed fruits have the attributes of convenience and fresh like quality. In minimally processed products, the cells of the tissue are alive, and the essential nutrients and flavours are retained. Some of the procedures include washing, trimming, sorting, cutting, slicing and shredding. Fruits such as pineapple and guava were taken for the study of textural properties for a period of five days. After the performance of various unit operations 50g cubes of pineapple and guava has been weighed. For determining the textural properties, samples were taken in which set of 12 samples were treated by using 1% citric acid solution and dried for 5 minutes the remaining set of 12 samples were untreated. In set of treated samples 6 were vacuum packed and stored in the refrigerator, and the other sample was normally stored. For untreated samples was done in a similar way. In texture profile analysis the force required for 1cm penetration of 2mm cylindrical needle inside the fruits were recorded for all packages. It was observed that guava the fresh sample had a force of penetration of 3250mm and as the days increased the force decreased to 357.4 mm for vacuum packed refrigerated storage. In the case of pineapple, the force of penetration of the fresh sample was 2325mm which was decreased to 26.3mm on the fourth day and very low at the fifth day for vacuum packed refrigerated storage. But in case of untreated samples, the fruits were spoiled may be because of no pre-treatment and packaging. Comparatively, it was found that vacuum packed refrigerated samples had higher shelf life than normal packed samples in ambient conditions.Keywords: 1% citric acid solution, normal packed, refrigerated storage, vacuum packed
Procedia PDF Downloads 1894585 Impacts of Extremism and Terrorism on Modern Urdu Poetry: A Case Study of Khyber Pakhtunkhwa
Authors: Naqeeb Ahmad Jan, Rukhsana Bibi
Abstract:
Extremism is once again pushing the globe towards ignorance and darkness. In the present day, the wave of extremist element (tendencies) has affected the people across the globe which led them to believe in manifestation of various ideologies. Likely, the Pakistan’s North-Western province (Khyber Pakhtunkhwa) served as a main prey. However, it also served as an equal partner to halt to and control the extremist activities. This current extremist element has also affected the poets herein, and thus they (poets) used their pen as a sword and depicted this havoc, the nature of extremism they witnessed, and also asked for and supported a positive and durable solution to this menace of extremism and terrorism. Their poetic works portrayed and exhibited various examples of the extremism and its possible solution to ensure peace and harmony. The researcher has taken the liberty to argue that a balanced behaviour and attitude play a key role in the fulfillment of desired actions. The imposition of any set of belief, value and attitude leads to the multiplication of extremism and it is so poisonous that it causes to the destruction of whole human society. This study has found that the present day extremism has led to the emergence of new words, similes, metaphor and other figures of speech to be a part of the language and literature to be survived. These words have been analyzed and discussed in a new getup and meanings; the similes and metaphors describing extremism used by poets and writers of this era. The methodology is based on quantitative, analytical and comparative research. Moreover, this research has discussed indication of new words and figures of speech used by the poets and which are in practice, and impacts of extremism on the modern Urdu poetry of Khyber Pakhtunkhwa.Keywords: extremism, modern Urdu poetry, subcontinent, terrorism
Procedia PDF Downloads 2564584 Solution Thermodynamics, Photophysical and Computational Studies of TACH2OX, a C-3 Symmetric 8-Hydroxyquinoline: Abiotic Siderophore Analogue of Enterobactin
Authors: B. K. Kanungo, Monika Thakur, Minati Baral
Abstract:
8-hydroxyquinoline, (8HQ), experiences a renaissance due to its utility as a building block in metallosupramolecular chemistry and its versatile use of its derivatives in various fields of analytical chemistry, materials science, and pharmaceutics. It forms stable complexes with a variety of metal ions. Assembly of more than one such unit to form a polydentate chelator enhances its coordinating ability and the related properties due to the chelate effect resulting in high stability constant. Keeping in view the above, a nonadentate chelator N-[3,5-bis(8-hydroxyquinoline-2-amido)cyclohexyl]-8-hydroxyquinoline-2-carboxamide, (TACH2OX), containing a central cis,cis-1,3,5-triaminocyclohexane appended to three 8-hydroxyquinoline at 2-position through amide linkage is developed, and its solution thermodynamics, photophysical and Density Functional Theory (DFT) studies were undertaken. The synthesis of TACH2OX was carried out by condensation of cis,cis-1,3,5-triaminocyclohexane, (TACH) with 8‐hydroxyquinoline‐2‐carboxylic acid. The brown colored solid has been fully characterized through melting point, infrared, nuclear magnetic resonance, electrospray ionization mass and electronic spectroscopy. In solution, TACH2OX forms protonated complexes below pH 3.4, which consecutively deprotonates to generate trinegative ion with the rise of pH. Nine protonation constants for the ligand were obtained that ranges between 2.26 to 7.28. The interaction of the chelator with two trivalent metal ion Fe3+ and Al3+ were studied in aqueous solution at 298 K. The metal-ligand formation constants (ML) obtained by potentiometric and spectrophotometric method agree with each other. The protonated and hydrolyzed species were also detected in the system. The in-silico studies of the ligand, as well as the complexes including their protonated and deprotonated species assessed by density functional theory technique, gave an accurate correlation with each observed properties such as the protonation constants, stability constants, infra-red, nmr, electronic absorption and emission spectral bands. The nature of electronic and emission spectral bands in terms of number and type were ascertained from time-dependent density functional theory study and the natural transition orbitals (NTO). The global reactivity indices parameters were used for comparison of the reactivity of the ligand and the complex molecules. The natural bonding orbital (NBO) analysis could successfully describe the structure and bonding of the metal-ligand complexes specifying the percentage of contribution in atomic orbitals in the creation of molecular orbitals. The obtained high value of metal-ligand formation constants indicates that the newly synthesized chelator is a very powerful synthetic chelator. The minimum energy molecular modeling structure of the ligand suggests that the ligand, TACH2OX, in a tripodal fashion firmly coordinates to the metal ion as hexa-coordinated chelate displaying distorted octahedral geometry by binding through three sets of N, O- donor atoms, present in each pendant arm of the central tris-cyclohexaneamine tripod.Keywords: complexes, DFT, formation constant, TACH2OX
Procedia PDF Downloads 147