Search results for: chemical systems engineering
15183 Physico-Mechanical Properties of Chemically Modified Sisal Fibre Reinforced Unsaturated Polyester Composites
Authors: A. A. Salisu, M. Y. Yakasai, K. M. Aujara
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Sisal leaves were subjected to enzymatic retting method to extract the sisal fibre. A portion of the fibre was pretreated with alkali (NaOH), and further treated with benzoyl chloride and silane treatment reagents. Both the treated and untreated Sisal fibre composites were used to fabricate the composite by hand lay-up technique using unsaturated polyester resin. Tensile, flexural, water absorption, density, thickness swelling and chemical resistant tests were conducted and evaluated on the composites. Results obtained for all the parameters showed an increase in the treated fibre compared to untreated fibre. FT-IR spectra results ascertained the inclusion of benzoyl and silane groups on the fibre surface. Scanning electron microscopy (SEM) result obtained showed variation in the morphology of the treated and untreated fibre. Chemical modification was found to improve adhesion of the fibre to the matrix, as well as physico-mechanical properties of the composites.Keywords: chemical resistance, density test, polymer matrix sisal fibre, thickness swelling
Procedia PDF Downloads 43515182 Programmable Microfluidic Device Based on Stimuli Responsive Hydrogels
Authors: Martin Elstner
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Processing of information by means of handling chemicals is a ubiquitous phenomenon in nature. Technical implementations of chemical information processing lack of low integration densities compared to electronic devices. Stimuli responsive hydrogels are promising candidates for materials with information processing capabilities. These hydrogels are sensitive toward chemical stimuli like metal ions or amino acids. The binding of an analyte molecule induces conformational changes inside the polymer network and subsequently the water content and volume of the hydrogel varies. This volume change can control material flows, and concurrently information flows, in microfluidic devices. The combination of this technology with powerful chemical logic gates yields in a platform for highly integrated chemical circuits. The manufacturing process of such devices is very challenging and rapid prototyping is a key technology used in the study. 3D printing allows generating three-dimensional defined structures of high complexity in a single and fast process step. This thermoplastic master is molded into PDMS and the master is removed by dissolution in an organic solvent. A variety of hydrogel materials is prepared by dispenser printing of pre-polymer solutions. By a variation of functional groups or cross-linking units, the functionality of the hole circuit can be programmed. Finally, applications in the field of bio-molecular analytics were demonstrated with an autonomously operating microfluidic chip.Keywords: bioanalytics, hydrogels, information processing, microvalve
Procedia PDF Downloads 30715181 Systems Intelligence in Management (High Performing Organizations and People Score High in Systems Intelligence)
Authors: Raimo P. Hämäläinen, Juha Törmänen, Esa Saarinen
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Systems thinking has been acknowledged as an important approach in the strategy and management literature ever since the seminal works of Ackhoff in the 1970´s and Senge in the 1990´s. The early literature was very much focused on structures and organizational dynamics. Understanding systems is important but making improvements also needs ways to understand human behavior in systems. Peter Senge´s book The Fifth Discipline gave the inspiration to the development of the concept of Systems Intelligence. The concept integrates the concepts of personal mastery and systems thinking. SI refers to intelligent behavior in the context of complex systems involving interaction and feedback. It is a competence related to the skills needed in strategy and the environment of modern industrial engineering and management where people skills and systems are in an increasingly important role. The eight factors of Systems Intelligence have been identified from extensive surveys and the factors relate to perceiving, attitude, thinking and acting. The personal self-evaluation test developed consists of 32 items which can also be applied in a peer evaluation mode. The concept and test extend to organizations too. One can talk about organizational systems intelligence. This paper reports the results of an extensive survey based on peer evaluation. The results show that systems intelligence correlates positively with professional performance. People in a managerial role score higher in SI than others. Age improves the SI score but there is no gender difference. Top organizations score higher in all SI factors than lower ranked ones. The SI-tests can also be used as leadership and management development tools helping self-reflection and learning. Finding ways of enhancing learning organizational development is important. Today gamification is a new promising approach. The items in the SI test have been used to develop an interactive card game following the Topaasia game approach. It is an easy way of engaging people in a process which both helps participants see and approach problems in their organization. It also helps individuals in identifying challenges in their own behavior and in improving in their SI.Keywords: gamification, management competence, organizational learning, systems thinking
Procedia PDF Downloads 9615180 Functional Electrical Stimulator and Neuromuscular Electro Stimulator System Analysis for Foot Drop
Authors: Gül Fatma Türker, Hatice Akman
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Portable muscle stimulators for real-time applications has first introduced by Liberson in 1961. Now these systems has been advanced. In this study, FES (Functional Electrical Stimulator) and NMES (Neuromuscular Electrostimulator) systems are analyzed through their hardware and their quality of life improvements for foot drop patients. FES and NMES systems are used for people whose leg muscles and leg neural connections are healty but not able to walk properly because of their injured central nervous system like spinal cord injuries. These systems are used to stimulate neurons or muscles by getting information from other movements and programming these stimulations to get natural walk and it is accepted as a rehabilitation method for the correction of drop foot. This systems support person to approach natural form of walking. Foot drop is characterized by steppage gait. It is a gait abnormality. This systems helps to person for plantar and dorse reflection movements which are hard to done for foot drop patients.Keywords: FES, foot drop, NMES, stimulator
Procedia PDF Downloads 38615179 Characterization and Geochemical Modeling of Cu and Zn Sorption Using Mixed Mineral Systems Injected with Iron Sulfide under Sulfidic-Anoxic Conditions I: Case Study of Cwmheidol Mine Waste Water, Wales, United Kingdom
Authors: D. E. Egirani, J. E. Andrews, A. R. Baker
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This study investigates sorption of Cu and Zn contained in natural mine wastewater, using mixed mineral systems in sulfidic-anoxic condition. The mine wastewater was obtained from disused mine workings at Cwmheidol in Wales, United Kingdom. These contaminants flow into water courses. These water courses include River Rheidol. In this River fishing activities exist. In an attempt to reduce Cu-Zn levels of fish intake in the watercourses, single mineral systems and 1:1 mixed mineral systems of clay and goethite were tested with the mine waste water for copper and zinc removal at variable pH. Modelling of hydroxyl complexes was carried out using phreeqc method. Reactions using batch mode technique was conducted at room temperature. There was significant differences in the behaviour of copper and zinc removal using mixed mineral systems when compared to single mineral systems. All mixed mineral systems sorb more Cu than Zn when tested with mine wastewater.Keywords: Cu- Zn, hydroxyl complexes, kinetics, mixed mineral systems, reactivity
Procedia PDF Downloads 49815178 Chemical and Sensorial Evaluation of a Newly Developed Bean Jam
Authors: Raquel P. F. Guiné, Ana R. B. Figueiredo, Paula M. R. Correia, Fernando J. Gonçalves
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The purpose of the present work was to develop an innovative food product with nutritional properties as well as appealing organoleptic qualities. The product, a jam, was prepared with the beans’ cooking water combined with fresh apple or carrot, without the addition of any conservatives. Three different jams were produced: bean and carrot, bean and apple and bean, apple and cinnamon. The developed products underwent a sensorial analysis that revealed that the bean, apple and cinnamon jam was globally better accepted. However, with this study, the consumers determined that the bean and carrot jam had the most attractive color and the bean and apple jam the better consistency. Additionally, it was possible to analyze the jams for their chemical components, namely fat, fiber, protein, sugars and antioxidant activity. The obtained results showed that the bean and carrot jam had the highest lipid content, while the bean, apple and cinnamon jam had the highest fiber content, when compared to the other two jams. Regarding the sugar content, both jams with apple revealed similar sugar values, which were higher than the sugar content of the bean and carrot jam. The antioxidant activity was on average 10 mg TE/g.Keywords: Bean jam, chemical composition, sensorial analysis, product acceptability
Procedia PDF Downloads 40815177 Role of Power Electronics in Grid Integration of Renewable Energy Systems
Authors: M. N. Tandjaoui, C. Banoudjafar, C. Benachaiba, O. Abdelkhalek, A. Kechich
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Advanced power electronic systems are deemed to be an integral part of renewable, green, and efficient energy systems. Wind energy is one of the renewable means of electricity generation that is now the world’s fastest growing energy source can bring new challenges when it is connected to the power grid due to the fluctuation nature of the wind and the comparatively new types of its generators. The wind energy is part of the worldwide discussion on the future of energy generation and use and consequent effects on the environment. However, this paper will introduce some of the requirements and aspects of the power electronic involved with modern wind generation systems, including modern power electronics and converters, and the issues of integrating wind turbines into power systems.Keywords: power electronics, renewable energy, smart grid, green energy, power technology
Procedia PDF Downloads 65215176 Preparation of Chromium Nanoparticles on Carbon Substrate from Tannery Waste Solution by Chemical Method Compared to Electrokinetic Process
Authors: Mahmoud A. Rabah, Said El Sheikh
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This work shows the preparation of chromium nanoparticles from tannery waste solution on glassy carbon by chemical method compared to electrokinetic process. The waste solution contains free and soluble fats, calcium, iron, magnesium and high sodium in addition to the chromium ions. Filtration helps removal of insoluble matters. Diethyl ether successfully extracted soluble fats. The method started by removing calcium as insoluble oxalate salts at hot conditions in a faint acidic medium. The filtrate contains iron, magnesium, chromium ions and sodium chloride in excess. Chromium was separated selectively as insoluble hydroxide sol-gel at pH 6.5, filtered and washed with distilled water. Part of the gel reacted with sulfuric acid to produce chromium sulfate solution having 15-25 g/L concentration. Electrokinetic deposition of chromium nanoparticles on a carbon cathode was carried out using platinum anode under different galvanostatic conditions. The chemical method involved impregnating the carbon specimens with chromium hydroxide gel followed by reduction using hydrazine hydrate or by thermal reduction using hydrogen gas at 1250°C. Chromium grain size was characterized by TEM, FT-IR and SEM. Properties of the Cr grains were correlated to the conditions of the preparation process. Electrodeposition was found to control chromium particles to be more identical in size and shape as compared to the chemical method.Keywords: chromium, electrodeposition, nanoparticles, tannery waste solution
Procedia PDF Downloads 40715175 Physico-Chemical and Microbial Changes of Organic Fertilizers after Compositing Processes under Arid Conditions
Authors: Oustani Mabrouka, Halilat Med Tahar
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The physico-chemical properties of poultry droppings indicate that this waste can be an excellent way to enrich the soil with low fertility that is the case in arid soils (low organic matter content), but its concentrations in some microbial and chemical components make them potentially dangerous and toxic contaminants if they are used directly in fresh state. On other hand, the accumulation of plant residues in the crop areas can become a source of plant disease and affects the quality of the environment. The biotechnological processes that we have identified appear to alleviate these problems. It leads to the stabilization and processing of wastes into a product of good hygienic quality and high fertilizer value by the composting test. In this context, a trial was conducted in composting operations in the region of Ouargla located in southern Algeria. Composing test was conducted in a completely randomized design experiment. Three mixtures were prepared, in pits of 1 m3 volume for each mixture. Each pit is composed by mixture of poultry droppings and crushed plant residues in amount of 40 and 60% respectively: C1: Droppings + Straw (P.D +S) , C2: Poultry Droppings + Olive Wastes (P.D+O.W) , C3: Poultry Droppings + Date palm residues (P.D+D.P). Before and after the composting process, physico-chemical parameters (temperature, moisture, pH, electrical conductivity, total carbon and total nitrogen) were studied. The stability of the biological system was noticed after 90 days. The results of physico-chemical and microbiological compost obtained from three mixtures: C1: (P.D +S) , C2: (P.D+O.W) and C3: (P.D +D.P) shows at the end of composting process, three composts characterized by the final products were characterized by their high agronomic and environmental interest with a good physico chemical characteristics in particularly a low C/N ratio with 15.15, 10.01 and 15.36 % for (P.D + S), (P.D. + O.W) and (P.D. +D.P), respectively, reflecting a stabilization and maturity of the composts. On the other hand, a significant increase of temperature was recorded at the first days of composting for all treatments, which is correlated with a strong reduction of the pathogenic micro flora contained in poultry dropings.Keywords: Arid environment, Composting, Date palm residues, Olive wastes, pH, Pathogenic microorganisms, Poultry Droppings, Straw
Procedia PDF Downloads 23415174 Quantum Chemical Calculations on Molecular Structure, Spectroscopy and Non-Linear Optical Properties of Some Chalcone Derivatives
Authors: Archana Gupta, Rajesh Kumar
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The chemistry of chalcones has generated intensive scientific studies throughout the world. Especially, interest has been focused on the synthesis and biodynamic activities of chalcones. The blue light transmittance, excellent crystallizability and the two planar rings connected through a conjugated double bond show that chalcone derivatives are superior nonlinear organic compounds. 3-(2-Chloro-6-fluoro¬phen¬yl)-1-(2-thien¬yl) prop-2-en-1-one, 3-(2, 4- Dichlorophenyl) – 1 - (4-methylphenyl) – prop -2-en-1-one, (2E)-3-[4-(methylsulfanyl) phenyl]-1-(4-nitrophenyl) prop-2-en-1-one are some chalcone derivatives exhibiting non linear optical (NLO) properties. NLO materials have been extensively investigated in recent years as they are the key elements for photonic technologies of optical communication, optical interconnect oscillator, amplifier, frequency converter etc. Due to their high molecular hyperpolarizabilities, organic materials display a number of significant NLO properties. Experimental measurements and theoretical calculations on molecular hyperpolarizability β have become one of the key factors in the design of second order NLO materials. Theoretical determination of hyperpolarizability is quite useful both in understanding the relationship between the molecular structure and NLO properties. It also provides a guideline to experimentalists for the design and synthesis of organic NLO materials. Quantum-chemical calculations have made an important contribution to the understanding of the electronic polarization underlying the molecular NLO processes and the establishment of structure–property relationships. In the present investigation, the detailed vibrational analysis of some chalcone derivatives is taken up to understand the correlation of the charge transfer interaction and the NLO activity of the molecules based on density functional theory calculations. The vibrational modes contributing toward the NLO activity have been identified and analyzed. Rather large hyperpolarizability derived by theoretical calculations suggests the possible future use of these compounds for non-linear optical applications. The study suggests the importance of π - conjugated systems for non-linear optical properties and the possibility of charge transfer interactions. We hope that the results of the present study of chalcone derivatives are of assistance in development of new efficient materials for technological applications.Keywords: hyperpolarizability, molecular structure, NLO material, quantum chemical calculations
Procedia PDF Downloads 23315173 Physical Properties and Elastic Studies of Fluoroaluminate Glasses Based on Alkali
Authors: C. Benhamideche
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Fluoroaluminate glasses have been reported as the earliest heavy metal fluoride glasses. By comparison with flurozirconate glasses, they offer a set of similar optical features, but also some differences in their elastic and chemical properties. In practice they have been less developed because their stability against devitrification is smaller than that of the most stable fluoroziconates. The purpose of this study was to investigate glass formation in systems AlF3-YF3-PbF2-MgF2-MF2 (M= Li, Na, K). Synthesis was implemented at room atmosphere using the ammonium fluoride processing. After fining, the liquid was into a preheated brass mold, then annealed below the glass transition temperature for several hours. The samples were polished for optical measurements. Glass formation has been investigated in a systematic way, using pseudo ternary systems in order to allow parameters to vary at the same time. We have chosen the most stable glass compositions for the determination of the physical properties. These properties including characteristic temperatures, density and proprieties elastic. Glass stability increases in multicomponent glasses. Bulk samples have been prepared for physical characterization. These glasses have a potential interest for passive optical fibers because they are less sensitive to water attack than ZBLAN glass, mechanically stronger. It is expected they could have a larger damage threshold for laser power transmission.Keywords: fluoride glass, aluminium fluoride, thermal properties, density, proprieties elastic
Procedia PDF Downloads 23915172 Chemical Composition of the Essential Oil of Citrus aurantium Isolated by Solvent Free Microwave Assisted Extraction and Hydrodistillation Extraction
Authors: Masume Rezaie, Mohammad H. Farjam
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Chemical composition of Citrus aurantium was studied by solvent free microwave extraction (SFME) and hydrodistillation (HD) methods. Limonene (76.06% SFME and 67.04% HD), Linalool (4.91% SFME and 10.08% HD) and Linalyl Acetate (8.52% SFME and 5.10% HD) were the major compounds that obtained by SFME and hydrodistillation, respectively.Keywords: microwave-assisted, GC-MS, essential oils, hydrodistillation, citrus aurantium
Procedia PDF Downloads 35215171 Model-Free Distributed Control of Dynamical Systems
Authors: Javad Khazaei, Rick Blum
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Distributed control is an efficient and flexible approach for coordination of multi-agent systems. One of the main challenges in designing a distributed controller is identifying the governing dynamics of the dynamical systems. Data-driven system identification is currently undergoing a revolution. With the availability of high-fidelity measurements and historical data, model-free identification of dynamical systems can facilitate the control design without tedious modeling of high-dimensional and/or nonlinear systems. This paper develops a distributed control design using consensus theory for linear and nonlinear dynamical systems using sparse identification of system dynamics. Compared with existing consensus designs that heavily rely on knowing the detailed system dynamics, the proposed model-free design can accurately capture the dynamics of the system with available measurements and input data and provide guaranteed performance in consensus and tracking problems. Heterogeneous damped oscillators are chosen as examples of dynamical system for validation purposes.Keywords: consensus tracking, distributed control, model-free control, sparse identification of dynamical systems
Procedia PDF Downloads 26415170 Application of Costing System in the Small and Medium Sized Enterprises (SME) in Turkey
Authors: Hamide Özyürek, Metin Yılmaz
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Standard processes, similar and limited production lines, the production of high direct costs will be more accurate than the use of parts of the traditional cost systems in the literature. However, direct costs, overhead expenses, in turn, decreases the burden of increasingly sophisticated production facilities, a situation that led the researchers to look for the cost of traditional systems of alternative techniques. Variety cost management approaches for example Total quality management (TQM), just-in-time (JIT), benchmarking, kaizen costing, targeting cost, life cycle costs (LLC), activity-based costing (ABC) value engineering have been introduced. Management and cost applications have changed over the past decade and will continue to change. Modern cost systems can provide relevant and accurate cost information. These methods provide the decisions about customer, product and process improvement. The aim of study is to describe and explain the adoption and application of costing systems in SME. This purpose reports on a survey conducted during 2014 small and medium sized enterprises (SME) in Ankara. The survey results were evaluated using SPSS package program.Keywords: modern costing systems, managerial accounting, cost accounting, costing
Procedia PDF Downloads 56515169 Enabling Enterprise Information System Interoperability: A Future Perspective
Authors: Mahdi Alkaeed, Adeel Ehsan
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Enterprise information systems (EIS) act as the backbone of organizations that belong to different domains. These systems not only play a major role in the efficient usage of resources and time but also throw light on the future roadmap for the enterprise. In today's rapidly expanding world of business and technology, enterprise systems from various heterogenous environments have to exchange information at some point, be it within the same organization or between different organizations. This reality strengthens the importance of interoperability between these systems, which is one of the key enablers of systems collaboration. Both information technology infrastructure and business processes have to be aligned with each other to achieve this effect. This will be difficult to attain if traditional tightly coupled architecture is used. Instead, a more loosely coupled service-oriented architecture has to be used. That would enable an effective interoperability level between different EIS. This paper discusses and presents the current work that has been done in the field of EIS interoperability. Along the way, it also discusses the challenges, solutions to tackle those challenges presented in the studied literature, and limitations, if any.Keywords: enterprise systems interoperability, collaboration and integration, service-based architecture, open system architecture
Procedia PDF Downloads 11015168 Hybrid Subspace Approach for Time Delay Estimation in MIMO Systems
Authors: Mojtaba Saeedinezhad, Sarah Yousefi
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In this paper, we present a hybrid subspace approach for Time Delay Estimation (TDE) in multivariable systems. While several methods have been proposed for time delay estimation in SISO systems, delay estimation in MIMO systems were always a big challenge. In these systems the existing TDE methods have significant limitations because most of procedures are just based on system response estimation or correlation analysis. We introduce a new hybrid method for TDE in MIMO systems based on subspace identification and explicit output error method; and compare its performance with previously introduced procedures in presence of different noise levels and in a statistical manner. Then the best method is selected with multi objective decision making technique. It is shown that the performance of new approach is much better than the existing methods, even in low signal-to-noise conditions.Keywords: system identification, time delay estimation, ARX, OE, merit ratio, multi variable decision making
Procedia PDF Downloads 34415167 Effects of Screen Time on Children from a Systems Engineering Perspective
Authors: Misagh Faezipour
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This paper explores the effects of screen time on children from a systems engineering perspective. We reviewed literature from several related works on the effects of screen time on children to explore all factors and interrelationships that would impact children that are subjected to using long screen times. Factors such as kids' age, parent attitudes, parent screen time influence, amount of time kids spend with technology, psychosocial and physical health outcomes, reduced mental imagery, problem-solving and adaptive thinking skills, obesity, unhealthy diet, depressive symptoms, health problems, disruption in sleep behavior, decrease in physical activities, problematic relationship with mothers, language, social, emotional delays, are examples of some factors that could be either a cause or effect of screen time. A systems engineering perspective is used to explore all the factors and factor relationships that were discovered through literature. A causal model is used to illustrate a graphical representation of these factors and their relationships. Through the causal model, the factors with the highest impacts can be realized. Future work would be to develop a system dynamics model to view the dynamic behavior of the relationships and observe the impact of changes in different factors in the model. The different changes on the input of the model, such as a healthier diet or obesity rate, would depict the effect of the screen time in the model and portray the effect on the children’s health and other factors that are important, which also works as a decision support tool.Keywords: children, causal model, screen time, systems engineering, system dynamics
Procedia PDF Downloads 14315166 A Multi-agent System Framework for Stakeholder Analysis of Local Energy Systems
Authors: Mengqiu Deng, Xiao Peng, Yang Zhao
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The development of local energy systems requires the collective involvement of different actors from various levels of society. However, the stakeholder analysis of local energy systems still has been under-developed. This paper proposes an multi-agent system (MAS) framework to facilitate the development of stakeholder analysis of local energy systems. The framework takes into account the most influencing stakeholders, including prosumers/consumers, system operators, energy companies and government bodies. Different stakeholders are modeled based on agent architectures for example the belief-desire-intention (BDI) to better reflect their motivations and interests in participating in local energy systems. The agent models of different stakeholders are then integrated in one model of the whole energy system. An illustrative case study is provided to elaborate how to develop a quantitative agent model for different stakeholders, as well as to demonstrate the practicability of the proposed framework. The findings from the case study indicate that the suggested framework and agent model can serve as analytical instruments for enhancing the government’s policy-making process by offering a systematic view of stakeholder interconnections in local energy systems.Keywords: multi-agent system, BDI agent, local energy systems, stakeholders
Procedia PDF Downloads 8615165 Interoperability Model Design of Smart Grid Power System
Authors: Seon-Hack Hong, Tae-Il Choi
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Interoperability is defined as systems, components, and devices developed by different entities smoothly exchanging information and functioning organically without mutual consultation, being able to communicate with each other and computer systems of the same type or different types, and exchanging information or the ability of two or more systems to exchange information and use the information exchanged without extra effort. Insufficiencies such as duplication of functions when developing systems and applications due to lack of interoperability in the electric power system and low efficiency due to a lack of mutual information transmission system between the inside of the application program and the design is improved, and the seamless linkage of newly developed systems is improved. Since it is necessary to secure interoperability for this purpose, we designed the smart grid-based interoperability standard model in this paper.Keywords: interoperability, power system, common information model, SCADA, IEEE2030, Zephyr
Procedia PDF Downloads 12115164 Robust Control of Cyber-Physical System under Cyber Attacks Based on Invariant Tubes
Authors: Bruno Vilić Belina, Jadranko Matuško
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The rapid development of cyber-physical systems significantly influences modern control systems introducing a whole new range of applications of control systems but also putting them under new challenges to ensure their resiliency to possible cyber attacks, either in the form of data integrity attacks or deception attacks. This paper presents a model predictive approach to the control of cyber-physical systems robust to cyber attacks. We assume that a cyber attack can be modelled as an additive disturbance that acts in the measuring channel. For such a system, we designed a tube-based predictive controller based. The performance of the designed controller has been verified in Matlab/Simulink environment.Keywords: control systems, cyber attacks, resiliency, robustness, tube based model predictive control
Procedia PDF Downloads 6715163 Accelerating Quantum Chemistry Calculations: Machine Learning for Efficient Evaluation of Electron-Repulsion Integrals
Authors: Nishant Rodrigues, Nicole Spanedda, Chilukuri K. Mohan, Arindam Chakraborty
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A crucial objective in quantum chemistry is the computation of the energy levels of chemical systems. This task requires electron-repulsion integrals as inputs, and the steep computational cost of evaluating these integrals poses a major numerical challenge in efficient implementation of quantum chemical software. This work presents a moment-based machine-learning approach for the efficient evaluation of electron-repulsion integrals. These integrals were approximated using linear combinations of a small number of moments. Machine learning algorithms were applied to estimate the coefficients in the linear combination. A random forest approach was used to identify promising features using a recursive feature elimination approach, which performed best for learning the sign of each coefficient but not the magnitude. A neural network with two hidden layers were then used to learn the coefficient magnitudes along with an iterative feature masking approach to perform input vector compression, identifying a small subset of orbitals whose coefficients are sufficient for the quantum state energy computation. Finally, a small ensemble of neural networks (with a median rule for decision fusion) was shown to improve results when compared to a single network.Keywords: quantum energy calculations, atomic orbitals, electron-repulsion integrals, ensemble machine learning, random forests, neural networks, feature extraction
Procedia PDF Downloads 11215162 The Effect of Torsional Angle on Reversible Electron Transfer in Donor: Acceptor Frameworks Using Bis(Imino)Pyridines as Proxy
Authors: Ryan Brisbin, Hassan Harb, Justin Debow, Hrant Hratchian, Ryan Baxter
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Donor-Acceptor (DA) frameworks are crucial parts of any technology requiring charge transport. This type of behavior is ubiquitous across technologies from semi conductors to solar panels. Currently, most DA systems involve metallic components, but progressive research is being pursued to design fully organic DA systems to be used as both organic semi-conductors and light emitting diodes. These systems are currently comprised of conductive polymers and salts. However, little is known about the effect of various physical aspects (size, torsional angle, electron density) have on the act of reversible charge transfer. Herein, the effect of torsional angle on reductive stability in bis(imino)pyridines is analyzed using a combination of single crystal analysis and electro-chemical peak current ratios from cyclic voltammetry. The computed free energies of reduction and electron attachment points were also investigated through density functional theory and natural ionization orbital theory to gain greater understanding of the global effect torsional angles have on electron transfer in bis(imino)pyridines. Findings indicated that torsional angles are a multi-variable parameter affected by both local steric constraints and resonant electronic contributions. Local steric impacted torsional angles demonstrated a negligible effect on electrochemical reversibility, while resonant affected torsional angles were observed to significantly alter the electrochemical reversibility.Keywords: cyclic voltammetry, bis(imino)pyridines, structure-activity relationship, torsional angles
Procedia PDF Downloads 23415161 Numerical Study of Two Mechanical Stirring Systems for Yield Stress Fluid
Authors: Amine Benmoussa, Mebrouk Rebhi, Rahmani Lakhdar
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Mechanically agitated vessels are commonly used for various operations within a wide range process in chemical, pharmaceutical, polymer, biochemical, mineral, petroleum industries. Depending on the purpose of the operation carried out in mixer, the best choice for geometry of the tank and agitator type can vary widely. In this paper, the laminar 2D agitation flow and power consumption of viscoplastic fluids with straight and circular gate impellers in a stirring tank is studied by using computational fluid dynamics (CFD), where the velocity profile, the velocity fields and power consumption was analyzed.Keywords: CFD, mechanical stirring, power consumption, yield stress fluid
Procedia PDF Downloads 35115160 Study of Chemical Compounds of Garlic
Authors: Bazaraliyeva Aigerim Bakytzhanovna, Turgumbayeva Aknur Amanbekovna
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The phytosubstance from garlic was obtained by extraction with liquid carbon dioxide under critical conditions. Methods of processing raw materials are proposed, and the chemical composition of garlic is studied by gas chromatography and mass spectrometry. The garlic extract's composition was determined using gas chromatography (GC) and gas chromatography-mass spectrophotometry (GC-MS). The phytosubstance had 54 constituents. The extract included the following main compounds: Manool (39.56%), Viridifrolol (7%), Podocarpa-1,8,11,13-tetraen-3-one, 14-isopropyl-1,13-dimethoxy- 5,15 percent, (+)-2-Bornanone (4.29%), Thujone (3.49%), Linolic acid ethyl ester (3.41%), and 12-O-Methylcarn.Keywords: allium sativum, bioactive compounds of garlic, carbon dioxide extraction of garlic, GS-MS method
Procedia PDF Downloads 7815159 Thermal Regulation of Channel Flows Using Phase Change Material
Authors: Kira Toxopeus, Kamran Siddiqui
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Channel flows are common in a wide range of engineering applications. In some types of channel flows, particularly the ones involving chemical or biological processes, the control of the flow temperature is crucial to maintain the optimal conditions for the chemical reaction or to control the growth of biological species. This often becomes an issue when the flow experiences temperature fluctuations due to external conditions. While active heating and cooling could regulate the channel temperature, it may not be feasible logistically or economically and is also regarded as a non-sustainable option. Thermal energy storage utilizing phase change material (PCM) could provide the required thermal regulation sustainably by storing the excess heat from the channel and releasing it back as required, thus regulating the channel temperature within a range in the proximity of the PCM melting temperature. However, in designing such systems, the configuration of the PCM storage within the channel is critical as it could influence the channel flow dynamics, which would, in turn, affect the heat exchange between the channel fluid and the PCM. The present research is focused on the investigation of the flow dynamical behavior in the channel during heat transfer from the channel flow to the PCM thermal energy storage. Offset vertical columns in a narrow channel were used that contained the PCM. Two different column shapes, square and circular, were considered. Water was used as the channel fluid that entered the channel at a temperature higher than that of the PCM melting temperature. Hence, as the water was passing through the channel, the heat was being transferred from the water to the PCM, causing the PCM to store the heat through a phase transition from solid to liquid. Particle image velocimetry (PIV) was used to measure the two-dimensional velocity field of the channel flow as it flows between the PCM columns. Thermocouples were also attached to the PCM columns to measure the PCM temperature at three different heights. Three different water flow rates (0.5, 0.75 and 1.2 liters/min) were considered. At each flow rate, experiments were conducted at three different inlet water temperatures (28ᵒC, 33ᵒC and 38ᵒC). The results show that the flow rate and the inlet temperature influenced the flow behavior inside the channel.Keywords: channel flow, phase change material, thermal energy storage, thermal regulation
Procedia PDF Downloads 13815158 Spinochromes: Kairomones Involved in the Symbiosis between the Shrimp Tuleariocaris holthuisi and Echinometra mathaei
Authors: Lola Brasseur, Guillaume Caulier, Marie Demeyer, Pascal Gerbaux, Igor Eeckhaut
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Seawater being an ideal dispersing agent, chemical communication stays predominant in marine ecosystems. However, if many molecules acting in chemical heterospecific communication have already been well described in terrestrial ecosystems, only three of these molecules were identified in marine ecosystems. Echinoderms and their symbiotic organisms constitute very good models to study heterospecific chemical communication because each class synthesizes a specific type of molecules and symbioses with echinoderms as hosts are very usual. In this study, the chemical communication that allows the commensal shrimps Tuleariocaris holthuisi Hipeau-Jacquotte, 1965 to live with their host Echinometra mathaei (Blainville, 1825) was investigated. The chemoreception of the shrimp was characterized using olfactometers and it was demonstrated that hosts and synthetic hydroxynaphthoquinones are attractive to the symbiotic shrimps. Hydroxynaphthoquinonic pigments also known as spinochromes are by the way synthesized by sea urchin and involved in all probability in a lot of mechanisms. To our knowledge, this study is the first highlighting the ecological function of naphthoquinones as kairomones. Chemical extractions were also performed on sea urchins in order to analyze and identify their specific hydroxynaphthoquinones using HPLC-ESI-MS. Accurate mass identification and elemental composition have been performed on various organs (gonads, coelomic liquid, digestive system and test) in different morphotypes of Echinometra mathaei for a better understanding of the molecular diversity of these semiochemicals. Moreover, some experiments were performed to investigate the dependence of T. holthuisi for their host. First, the analyses showed that the molecules involved in shrimp pigmentation are the same that the ones involved in E. mathaei, suggesting a potential feeding on the host. Secondly, a substantial shrimp depigmentation and an increase of the mortality rate were demonstrated after the symbionts-host separation which could mean a potential implication of spinochromes in the shrimp metabolism.Keywords: crustacean, sea urchin, spinochrome, symbiosis
Procedia PDF Downloads 19015157 Dynamical Systems and Fibonacci Numbers
Authors: Vandana N. Purav
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The Dynamical systems concept is a mathematical formalization for any fixed rule that describes the time dependence of a points position in its ambient space. e.g. pendulum of a clock, the number of fish each spring in a lake, the number of rabbits spring in an enclosure, etc. The Dynamical system theory used to describe the complex nature that is dynamical systems with differential equations called continuous dynamical system or dynamical system with difference equations called discrete dynamical system. The concept of dynamical system has its origin in Newtonian mechanics.Keywords: dynamical systems, Fibonacci numbers, Newtonian mechanics, discrete dynamical system
Procedia PDF Downloads 49115156 New Results on Exponential Stability of Hybrid Systems
Authors: Grienggrai Rajchakit
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This paper is concerned with the exponential stability of switched linear systems with interval time-varying delays. The time delay is any continuous function belonging to a given interval, in which the lower bound of delay is not restricted to zero. By constructing a suitable augmented Lyapunov-Krasovskii functional combined with Leibniz-Newton's formula, a switching rule for the exponential stability of switched linear systems with interval time-varying delays and new delay-dependent sufficient conditions for the exponential stability of the systems are first established in terms of LMIs. Finally, some examples are exploited to illustrate the effectiveness of the proposed schemes.Keywords: exponential stability, hybrid systems, time-varying delays, lyapunov-krasovskii functional, leibniz-newton's formula
Procedia PDF Downloads 54215155 On the Problems of Human Concept Learning within Terminological Systems
Authors: Farshad Badie
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The central focus of this article is on the fact that knowledge is constructed from an interaction between humans’ experiences and over their conceptions of constructed concepts. Logical characterisation of ‘human inductive learning over human’s constructed concepts’ within terminological systems and providing a logical background for theorising over the Human Concept Learning Problem (HCLP) in terminological systems are the main contributions of this research. This research connects with the topics ‘human learning’, ‘epistemology’, ‘cognitive modelling’, ‘knowledge representation’ and ‘ontological reasoning’.Keywords: human concept learning, concept construction, knowledge construction, terminological systems
Procedia PDF Downloads 32415154 Enhancing the Effectiveness of Air Defense Systems through Simulation Analysis
Authors: F. Felipe
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Air Defense Systems contain high-value assets that are expected to fulfill their mission for several years - in many cases, even decades - while operating in a fast-changing, technology-driven environment. Thus, it is paramount that decision-makers can assess how effective an Air Defense System is in the face of new developing threats, as well as to identify the bottlenecks that could jeopardize the security of the airspace of a country. Given the broad extent of activities and the great variety of assets necessary to achieve the strategic objectives, a systems approach was taken in order to delineate the core requirements and the physical architecture of an Air Defense System. Then, value-focused thinking helped in the definition of the measures of effectiveness. Furthermore, analytical methods were applied to create a formal structure that preliminarily assesses such measures. To validate the proposed methodology, a powerful simulation was also used to determine the measures of effectiveness, now in more complex environments that incorporate both uncertainty and multiple interactions of the entities. The results regarding the validity of this methodology suggest that the approach can support decisions aimed at enhancing the capabilities of Air Defense Systems. In conclusion, this paper sheds some light on how consolidated approaches of Systems Engineering and Operations Research can be used as valid techniques for solving problems regarding a complex and yet vital matter.Keywords: air defense, effectiveness, system, simulation, decision-support
Procedia PDF Downloads 155