Search results for: efficiency energy
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 13138

Search results for: efficiency energy

2068 Evaluation of the Self-Organizing Map and the Adaptive Neuro-Fuzzy Inference System Machine Learning Techniques for the Estimation of Crop Water Stress Index of Wheat under Varying Application of Irrigation Water Levels for Efficient Irrigation Scheduling

Authors: Aschalew C. Workneh, K. S. Hari Prasad, C. S. P. Ojha

Abstract:

The crop water stress index (CWSI) is a cost-effective, non-destructive, and simple technique for tracking the start of crop water stress. This study investigated the feasibility of CWSI derived from canopy temperature to detect the water status of wheat crops. Artificial intelligence (AI) techniques have become increasingly popular in recent years for determining CWSI. In this study, the performance of two AI techniques, adaptive neuro-fuzzy inference system (ANFIS) and self-organizing maps (SOM), are compared while determining the CWSI of paddy crops. Field experiments were conducted for varying irrigation water applications during two seasons in 2022 and 2023 at the irrigation field laboratory at the Civil Engineering Department, Indian Institute of Technology Roorkee, India. The ANFIS and SOM-simulated CWSI values were compared with the experimentally calculated CWSI (EP-CWSI). Multiple regression analysis was used to determine the upper and lower CWSI baselines. The upper CWSI baseline was found to be a function of crop height and wind speed, while the lower CWSI baseline was a function of crop height, air vapor pressure deficit, and wind speed. The performance of ANFIS and SOM were compared based on mean absolute error (MAE), mean bias error (MBE), root mean squared error (RMSE), index of agreement (d), Nash-Sutcliffe efficiency (NSE), and coefficient of correlation (R²). Both models successfully estimated the CWSI of the paddy crop with higher correlation coefficients and lower statistical errors. However, the ANFIS (R²=0.81, NSE=0.73, d=0.94, RMSE=0.04, MAE= 0.00-1.76 and MBE=-2.13-1.32) outperformed the SOM model (R²=0.77, NSE=0.68, d=0.90, RMSE=0.05, MAE= 0.00-2.13 and MBE=-2.29-1.45). Overall, the results suggest that ANFIS is a reliable tool for accurately determining CWSI in wheat crops compared to SOM.

Keywords: adaptive neuro-fuzzy inference system, canopy temperature, crop water stress index, self-organizing map, wheat

Procedia PDF Downloads 53
2067 Cost Valuation Method for Development Concurrent, Phase Appropriate Requirement Valuation Using the Example of Load Carrier Development in the Lithium-Ion-Battery Production

Authors: Achim Kampker, Christoph Deutskens, Heiner Hans Heimes, Mathias Ordung, Felix Optehostert

Abstract:

In the past years electric mobility became part of a public discussion. The trend to fully electrified vehicles instead of vehicles fueled with fossil energy has notably gained momentum. Today nearly every big car manufacturer produces and sells fully electrified vehicles, but electrified vehicles are still not as competitive as conventional powered vehicles. As the traction battery states the largest cost driver, lowering its price is a crucial objective. In addition to improvements in product and production processes a non-negligible, but widely underestimated cost driver of production can be found in logistics, since the production technology is not continuous yet and neither are the logistics systems. This paper presents an approach to evaluate cost factors on different designs of load carrier systems. Due to numerous interdependencies, the combination of costs factors for a particular scenario is not transparent. This is effecting actions for cost reduction negatively, but still cost reduction is one of the major goals for simultaneous engineering processes. Therefore a concurrent and phase appropriate cost valuation method is necessary to serve cost transparency. In this paper the four phases of this cost valuation method are defined and explained, which based upon a new approach integrating the logistics development process in to the integrated product and process development.

Keywords: research and development, technology and innovation, lithium-ion-battery production, load carrier development process, cost valuation method

Procedia PDF Downloads 593
2066 Tuning Nanomechanical Properties of Stimuli-Responsive Hydrogel Nanocomposite Thin Films for Biomedical Applications

Authors: Mallikarjunachari Gangapuram

Abstract:

The design of stimuli-responsive hydrogel nanocomposite thin films is gaining significant attention in these days due to its wide variety of applications. Soft microrobots, drug delivery, biosensors, regenerative medicine, bacterial adhesion, energy storage and wound dressing are few advanced applications in different fields. In this research work, the nanomechanical properties of composite thin films of 20 microns were tuned by applying homogeneous external DC, and AC magnetic fields of magnitudes 0.05 T and 0.1 T. Polyvinyl alcohol (PVA) used as a matrix material and elliptical hematite nanoparticles (ratio of the length of the major axis to the length of the minor axis is 140.59 ± 1.072 nm/52.84 ± 1.072 nm) used as filler materials to prepare the nanocomposite thin films. Both quasi-static nanoindentation, Nano Dynamic Mechanical Analysis (Nano-DMA) tests were performed to characterize the viscoelastic properties of PVA, PVA+Hematite (0.1% wt, 2% wt and 4% wt) nanocomposites. Different properties such as storage modulus, loss modulus, hardness, and Er/H were carefully analyzed. The increase in storage modulus, hardness, Er/H and a decrease in loss modulus were observed with increasing concentration and DC magnetic field followed by AC magnetic field. Contact angle and ATR-FTIR experiments were conducted to understand the molecular mechanisms such as hydrogen bond formation, crosslinking density, and particle-particle interactions. This systematic study is helpful in design and modeling of magnetic responsive hydrogel nanocomposite thin films for biomedical applications.

Keywords: hematite, hydrogel, nanoindentation, nano-DMA

Procedia PDF Downloads 191
2065 Liquid Unloading of Wells with Scaled Perforation via Batch Foamers

Authors: Erwin Chan, Aravind Subramaniyan, Siti Abdullah Fatehah, Steve Lian Kuling

Abstract:

Foam assisted lift technology is proven across the industry to provide efficient deliquification in gas wells. Such deliquification is typically achieved by delivering the foamer chemical downhole via capillary strings. In highly liquid loaded wells where capillary strings are not readily available, foamer can be delivered via batch injection or bull-heading. The latter techniques differ from the former in that cap strings allow for liquid to be unloaded continuously, whereas foamer batches require that periodic batching be conducted for the liquid to be unloaded. Although batch injection allows for liquid to be unloaded in wells with suitable water to gas (WGR) ratio and condensate to gas (CGR) ratio without well intervention for capillary string installation, this technique comes with its own set of challenges - for foamer to de-liquify liquids, the chemical needs to reach perforation locations where gas bubbling is observed. In highly scaled perforation zones in certain wells, foamer delivered in batches is unable to reach the gas bubbling zone, thus achieving poor lift efficiency. This paper aims to discuss the techniques and challenges for unloading liquid via batch injection in scaled perforation wells X and Y, whose WGR is 6bbl/MMscf, whose scale build-up is observed at the bottom of perforation interval, whose water column is 400 feet, and whose ‘bubbling zone’ is less than 100 feet. Variables such as foamer Z dosage, batching technique, and well flow control valve opening times are manipulated during the duration of the trial to achieve maximum liquid unloading and gas rates. During the field trial, the team has found optimal values between the three aforementioned parameters for best unloading results, in which each cycle’s gas and liquid rates are compared with baselines with similar flowing tubing head pressures (FTHP). It is discovered that amongst other factors, a good agitation technique is a primary determinant for efficient liquid unloading. An average increment of 2MMscf/d against an average production of 4MMscf/d at stable FTHP is recorded during the trial.

Keywords: foam, foamer, gas lift, liquid unloading, scale, batch injection

Procedia PDF Downloads 182
2064 Experimental Study on Performance of a Planar Membrane Humidifier for a Proton Exchange Membrane Fuel Cell Stack

Authors: Chen-Yu Chen, Wei-Mon Yan, Chi-Nan Lai, Jian-Hao Su

Abstract:

The proton exchange membrane fuel cell (PEMFC) becomes more important as an alternative energy source recently. Maintaining proper water content in the membrane is one of the key requirements for optimizing the PEMFC performance. The planar membrane humidifier has the advantages of simple structure, low cost, low-pressure drop, light weight, reliable performance and good gas separability. Thus, it is a common external humidifier for PEMFCs. In this work, a planar membrane humidifier for kW-scale PEMFCs is developed successfully. The heat and mass transfer of humidifier is discussed, and its performance is analyzed in term of dew point approach temperature (DPAT), water vapor transfer rate (WVTR) and water recovery ratio (WRR). The DPAT of the humidifier with the counter flow approach reaches about 6°C under inlet dry air of 50°C and 60% RH and inlet humid air of 70°C and 100% RH. The rate of pressure loss of the humidifier is 5.0×10² Pa/min at the torque of 7 N-m, which reaches the standard of commercial planar membrane humidifiers. From the tests, it is found that increasing the air flow rate increases the WVTR. However, the DPAT and the WRR are not improved by increasing the WVTR as the air flow rate is higher than the optimal value. In addition, increasing the inlet temperature or the humidity of dry air decreases the WVTR and the WRR. Nevertheless, the DPAT is improved at elevated inlet temperatures or humidities of dry air. Furthermore, the performance of the humidifier with the counter flow approach is better than that with the parallel flow approach. The DPAT difference between the two flow approaches reaches up to 8 °C.

Keywords: heat and mass transfer, humidifier performance, PEM fuel cell, planar membrane humidifier

Procedia PDF Downloads 305
2063 Computational Fluid Dynamics Modeling of Flow Properties Fluctuations in Slug-Churn Flow through Pipe Elbow

Authors: Nkemjika Chinenye-Kanu, Mamdud Hossain, Ghazi Droubi

Abstract:

Prediction of multiphase flow induced forces, void fraction and pressure is crucial at both design and operating stages of practical energy and process pipe systems. In this study, transient numerical simulations of upward slug-churn flow through a vertical 90-degree elbow have been conducted. The volume of fluid (VOF) method was used to model the two-phase flows while the K-epsilon Reynolds-Averaged Navier-Stokes (RANS) equations were used to model turbulence in the flows. The simulation results were validated using experimental results. Void fraction signal, peak frequency and maximum magnitude of void fraction fluctuation of the slug-churn flow validation case studies compared well with experimental results. The x and y direction force fluctuation signals at the elbow control volume were obtained by carrying out force balance calculations using the directly extracted time domain signals of flow properties through the control volume in the numerical simulation. The computed force signal compared well with experiment for the slug and churn flow validation case studies. Hence, the present numerical simulation technique was able to predict the behaviours of the one-way flow induced forces and void fraction fluctuations.

Keywords: computational fluid dynamics, flow induced vibration, slug-churn flow, void fraction and force fluctuation

Procedia PDF Downloads 155
2062 The On-Board Critical Message Transmission Design for Navigation Satellite Delay/Disruption Tolerant Network

Authors: Ji-yang Yu, Dan Huang, Guo-ping Feng, Xin Li, Lu-yuan Wang

Abstract:

The navigation satellite network, especially the Beidou MEO Constellation, can relay data effectively with wide coverage and is applied in navigation, detection, and position widely. But the constellation has not been completed, and the amount of satellites on-board is not enough to cover the earth, which makes the data-relay disrupted or delayed in the transition process. The data-relay function needs to tolerant the delay or disruption in some extension, which make the Beidou MEO Constellation a delay/disruption-tolerant network (DTN). The traditional DTN designs mainly employ the relay table as the basic of data path schedule computing. But in practical application, especially in critical condition, such as the war-time or the infliction heavy losses on the constellation, parts of the nodes may become invalid, then the traditional DTN design could be useless. Furthermore, when transmitting the critical message in the navigation system, the maximum priority strategy is used, but the nodes still inquiry the relay table to design the path, which makes the delay more than minutes. Under this circumstances, it needs a function which could compute the optimum data path on-board in real-time according to the constellation states. The on-board critical message transmission design for navigation satellite delay/disruption-tolerant network (DTN) is proposed, according to the characteristics of navigation satellite network. With the real-time computation of parameters in the network link, the least-delay transition path is deduced to retransmit the critical message in urgent conditions. First, the DTN model for constellation is established based on the time-varying matrix (TVM) instead of the time-varying graph (TVG); then, the least transition delay data path is deduced with the parameters of the current node; at last, the critical message transits to the next best node. For the on-board real-time computing, the time delay and misjudges of constellation states in ground stations are eliminated, and the residual information channel for each node can be used flexibly. Compare with the minute’s delay of traditional DTN; the proposed transmits the critical message in seconds, which improves the re-transition efficiency. The hardware is implemented in FPGA based on the proposed model, and the tests prove the validity.

Keywords: critical message, DTN, navigation satellite, on-board, real-time

Procedia PDF Downloads 340
2061 Innovation in the Provision of Medical Services in the Field of Qualified Sports and Services Related to the Therapy of Metabolism Disorders and the Treatment of Obesity

Authors: Jerzy Slowik, Elzbieta Grochowska-Niedworok

Abstract:

The analysis of the market needs and trends in both treatment and prophylaxis shows the growing need to implement comprehensive solutions that would enable safe contact of the beneficiaries with the therapeutic and diagnostic support group. Based on the evaluation of the medical and sports industry services market, projects co-financed by the EFRR in the form of comprehensive care systems using IT tools for patients under treatment in the field of obesity and metabolism using the system were implemented under the Regional Operational Program of the Silesian Voivodeship for 2014-2020. SFAO 1.0 (Support for the Fight Against Obesity) number of the WND-RPSL project. 01.02.00-24-06EA / 16) as well as for competitors in qualified sports SK system (qualified sports) project number WND-RPSL. 01.02.00-24-0630 / 17-002. The service provided in accordance with SFAO 1.0 has shown a wide range of therapy possibilities - from monitoring the body's reactions during sports activities of healthy people to remote care for sick patients. As a result of the introduction of an innovative service, it was possible to increase the effectiveness of the therapy, which was manifested in the reduction of the starting doses of drugs by 10%, improvement of the efficiency of the respiratory and blood circulation system, and a 10% increase in bone density. Innovation in the provision of medical services in the field of qualified sports SK was a response to the needs of the athletes and their parents, coaches, physiotherapists, dieticians, and doctors who take care of people actively practicing qualified sports. The creation of the platform made it possible to constantly monitor the trainers necessary for both the proper training process and the control over the health of patients. Monitoring the patient's health by a specialized team in the field of various specialties allows for the proper targeting of the treatment and training process due to the increase in the availability of medical counseling. Specialists taking care of the patient can provide additional advice and modify the medical treatment of the patient on an ongoing basis, which is why we are dealing with a holistic approach.

Keywords: innovation of medical services, sport, obesity, innovation

Procedia PDF Downloads 127
2060 Theoretical Investigation of the Singlet and Triplet Electronic States of ⁹⁰ZrS Molecules

Authors: Makhlouf Sandy, Adem Ziad, Taher Fadia, Magnier Sylvie

Abstract:

The electronic structure of 90ZrS has been investigated using Ab-initio methods based on Complete Active Space Self Consistent Field and Multi-reference Configuration Interaction (CASSCF/MRCI). The number of predicted states has been extended to 14 singlet and 12 triplet lowest-lying states situated below 36000cm-1. The equilibrium energies of these 26 lowest-lying electronic states have been calculated in the 2S+1Λ(±) representation. The potential energy curves have been plotted in function of the inter-nuclear distances in a range of 1.5 to 4.5Å. Spectroscopic constants, permanent electric dipole moments and transition dipole moments between the different electronic states have also been determined. A discrepancy error of utmost 5% for the majority of values shows a good agreement with available experimental data. The ground state is found to be of symmetry X1Σ+ with an equilibrium inter-nuclear distance Re= 2.16Å. However, the (1)3Δ is the closest state to X1Σ+ and is situated at 514 cm-1. To the best of our knowledge, this is the first time that the spin-orbit coupling has been investigated for all the predicted states of ZrS. 52 electronic components in the Ω(±) representation have been predicted. The energies of these components, the spectroscopic constants ωe, ωeχe, βe and the equilibrium inter-nuclear distances have been also obtained. The percentage composition of the Ω state wave-functions in terms of S-Λ states was calculated to identify their corresponding main parents. These (SOC) calculations have determined the shift between (1)3Δ1 and X1Σ+ states and confirmed the ground state type being 1Σ+.

Keywords: CASSCF/MRCI, electronic structure, spin-orbit effect, zirconium monosulfide

Procedia PDF Downloads 167
2059 Sustainable Design for Building Envelope in Hot Climates: A Case Study for the Role of the Dome as a Component of an Envelope in Heat Exchange

Authors: Akeel Noori Almulla Hwaish

Abstract:

Architectural design is influenced by the actual thermal behaviour of building components, and this in turn depends not only on their steady and periodic thermal characteristics, but also on exposure effects, orientation, surface colour, and climatic fluctuations at the given location. Design data and environmental parameters should be produced in an accurate way for specified locations, so that architects and engineers can confidently apply them in their design calculations that enable precise evaluation of the influence of various parameters relating to each component of the envelope, which indicates overall thermal performance of building. The present paper will be carried out with an objective of thermal behaviour assessment and characteristics of the opaque and transparent parts of one of the very unique components used as a symbolic distinguished element of building envelope, its thermal behaviour under the impact of solar temperatures, and its role in heat exchange related to a specific U-value of specified construction materials alternatives. The research method will consider the specified Hot-Dry weather and new mosque in Baghdad, Iraq as a case study. Also, data will be presented in light of the criteria of indoor thermal comfort in terms of design parameters and thermal assessment for a“model dome”. Design alternatives and considerations of energy conservation, will be discussed as well using comparative computer simulations. Findings will be incorporated to outline the conclusions clarifying the important role of the dome in heat exchange of the whole building envelope for approaching an indoor thermal comfort level and further research in the future.

Keywords: building envelope, sustainable design, dome impact, hot-climates, heat exchange

Procedia PDF Downloads 473
2058 Synthesis of New Bio-Based Solid Polymer Electrolyte Polyurethane-Liclo4 via Prepolymerization Method: Effect of NCO/OH Ratio on Their Chemical, Thermal Properties and Ionic Conductivity

Authors: C. S. Wong, K. H. Badri, N. Ataollahi, K. P. Law, M. S. Su’ait, N. I. Hassan

Abstract:

Novel bio-based polymer electrolyte was synthesized with LiClO4 as the main source of charge carrier. Initially, polyurethane-LiClO4 polymer electrolytes were synthesized via polymerization method with different NCO/OH ratios and labelled as PU1, PU2, PU3, and PU4. Subsequently, the chemical, thermal properties and ionic conductivity of the films produced were determined. Fourier transform infrared (FTIR) analysis indicates the co-ordination between Li+ ion and polyurethane in PU1 due to the greatest amount of hard segment of polyurethane in PU1 as proven by soxhlet analysis. The structures of polyurethanes were confirmed by 13 nuclear magnetic resonance spectroscopy (13C NMR) and FTIR spectroscopy. Differential scanning calorimetry (DSC) analysis indicates PU 1 has the highest glass transition temperature (Tg) corresponds to the most abundant urethane group which is the hard segment in PU1. Scanning electron microscopy (SEM) of the PU-LiClO4 shows the good miscibility between lithium salt and the polymer. The study found that PU1 possessed the greatest ionic conductivity (1.19 × 10-7 S.cm-1 at 298 K and 5.01 × 10-5 S.cm-1 at 373 K) and the lowest activation energy, Ea (0.32 eV) due to the greatest amount of hard segment formed in PU 1 induces the coordination between lithium ion and oxygen atom of carbonyl group in polyurethane. All the polyurethanes exhibited linear Arrhenius variations indicating ion transport via simple lithium ion hopping in polyurethane. This research proves the NCO content in polyurethane plays an important role in affecting the ionic conductivity of this polymer electrolyte.

Keywords: ionic conductivity, palm kernel oil-based monoester-OH, polyurethane, solid polymer electrolyte

Procedia PDF Downloads 424
2057 Backwash Optimization for Drinking Water Treatment Biological Filters

Authors: Sarra K. Ikhlef, Onita Basu

Abstract:

Natural organic matter (NOM) removal efficiency using drinking water treatment biological filters can be highly influenced by backwashing conditions. Backwashing has the ability to remove the accumulated biomass and particles in order to regenerate the biological filters' removal capacity and prevent excessive headloss buildup. A lab scale system consisting of 3 biological filters was used in this study to examine the implications of different backwash strategies on biological filtration performance. The backwash procedures were evaluated based on their impacts on dissolved organic carbon (DOC) removals, biological filters’ biomass, backwash water volume usage, and particle removal. Results showed that under nutrient limited conditions, the simultaneous use of air and water under collapse pulsing conditions lead to a DOC removal of 22% which was significantly higher (p>0.05) than the 12% removal observed under water only backwash conditions. Employing a bed expansion of 20% under nutrient supplemented conditions compared to a 30% reference bed expansion while using the same amount of water volume lead to similar DOC removals. On the other hand, utilizing a higher bed expansion (40%) lead to significantly lower DOC removals (23%). Also, a backwash strategy that reduced the backwash water volume usage by about 20% resulted in similar DOC removals observed with the reference backwash. The backwash procedures investigated in this study showed no consistent impact on biological filters' biomass concentrations as measured by the phospholipids and the adenosine tri-phosphate (ATP) methods. Moreover, none of these two analyses showed a direct correlation with DOC removal. On the other hand, dissolved oxygen (DO) uptake showed a direct correlation with DOC removals. The addition of the extended terminal subfluidization wash (ETSW) demonstrated no apparent impact on DOC removals. ETSW also successfully eliminated the filter ripening sequence (FRS). As a result, the additional water usage resulting from implementing ETSW was compensated by water savings after restart. Results from this study provide insight to researchers and water treatment utilities on how to better optimize the backwashing procedure for the goal of optimizing the overall biological filtration process.

Keywords: biological filtration, backwashing, collapse pulsing, ETSW

Procedia PDF Downloads 271
2056 Properties of Biodiesel Produced by Enzymatic Transesterification of Lipids Extracted from Microalgae in Supercritical Carbon Dioxide Medium

Authors: Hanifa Taher, Sulaiman Al-Zuhair, Ali H. Al-Marzouqi, Yousef Haik, Mohammed Farid

Abstract:

Biodiesel, as an alternative renewable fuel, has been receiving increasing attention due to the limited supply of fossil fuels and the increasing need for energy. Microalgae is a promising source for lipids, which can be converted to biodiesel. The biodiesel production from microalgae lipids using lipase catalyzed reaction in supercritical CO2 medium has several advantages over conventional production processes. However, identifying the optimum microalgae lipid extraction and transesterification conditions is still a challenge. In this study, the lipids extracted from Scenedesmus sp. and their enzymatic transesterification using supercritical carbon dioxide have been investigated. The effect of extraction variables (temperature, pressure and solvent flow rate) and reaction variables (enzyme loading, incubation time, methanol to lipids molar ratio and temperature) were considered. Process parameters and their effects were studied using a full factorial analysis of both. Response Surface Methodology (RSM) and was used to determine the optimum conditions for the extraction and reaction steps. For extraction, the optimum conditions were 53 °C and 500 bar, whereas for the reaction the optimum conditions were 35% enzyme loading, 4 h reaction, 9:1 molar ratio and 50 oC. At these optimum conditions, the highest biodiesel production yield was found to be 82 %. The fuel properties of the produced biodiesel, at optimum reaction condition, were determined and compared to ASTM standards. The properties were found to comply with the limits, and showed a low glycerol content, without any separation step.

Keywords: biodiesel, lipase, supercritical CO2, standards

Procedia PDF Downloads 488
2055 Detection of Muscle Swelling Using the Cnts-Based Poc Wearable Strain Sensor

Authors: Nadeem Qaiser, Sherjeel Munsif Khan, Muhammad Mustafa Hussian, Vincent Tung

Abstract:

One of the emerging fields in the detection of chronic diseases is based on the point-of-care (POC) early monitoring of the symptoms and thus provides a state-of-the-art personalized healthcare system. Nowadays, wearable and flexible sensors are being used for analyzing sweat, glucose, blood pressure, and other skin conditions. However, localized jaw-bone swelling called parotid-swelling caused by some viruses has never been tracked before. To track physical motion or deformations, strain sensors, especially piezoresistive ones, are widely used. This work, for the first time, reports carbon nanotubes (CNTs)-based piezoresistive sensing patch that is highly flexible and stretchable and can record muscle deformations in real-time. The developed patch offers an excellent gauge factor for in-plane stretching and spatial expansion with low hysteresis. To calibrate the volumetric muscle expansion, we fabricated the pneumatic actuator that experienced volumetric expansion and thus redefined the gauge factor. Moreover, we employ a Bluetooth-low-energy system that can send information about muscle activity in real-time to a smartphone app. We utilized COMSOL calculations to reveal the mechanical robustness of the patch. The experiments showed the sensing patch's greater cyclability, making it a patch for personal healthcare and an excellent choice for monitoring the real-time POC monitoring of the human muscle swelling.

Keywords: piezoresistive strain sensor, FEM simulations, CNTs sensor, flexible

Procedia PDF Downloads 87
2054 Study and Solving High Complex Non-Linear Differential Equations Applied in the Engineering Field by Analytical New Approach AGM

Authors: Mohammadreza Akbari, Sara Akbari, Davood Domiri Ganji, Pooya Solimani, Reza Khalili

Abstract:

In this paper, three complicated nonlinear differential equations(PDE,ODE) in the field of engineering and non-vibration have been analyzed and solved completely by new method that we have named it Akbari-Ganji's Method (AGM) . As regards the previous published papers, investigating this kind of equations is a very hard task to do and the obtained solution is not accurate and reliable. This issue will be emerged after comparing the achieved solutions by Numerical Method. Based on the comparisons which have been made between the gained solutions by AGM and Numerical Method (Runge-Kutta 4th), it is possible to indicate that AGM can be successfully applied for various differential equations particularly for difficult ones. Furthermore, It is necessary to mention that a summary of the excellence of this method in comparison with the other approaches can be considered as follows: It is noteworthy that these results have been indicated that this approach is very effective and easy therefore it can be applied for other kinds of nonlinear equations, And also the reasons of selecting the mentioned method for solving differential equations in a wide variety of fields not only in vibrations but also in different fields of sciences such as fluid mechanics, solid mechanics, chemical engineering, etc. Therefore, a solution with high precision will be acquired. With regard to the afore-mentioned explanations, the process of solving nonlinear equation(s) will be very easy and convenient in comparison with the other methods. And also one of the important position that is explored in this paper is: Trigonometric and exponential terms in the differential equation (the method AGM) , is no need to use Taylor series Expansion to enhance the precision of the result.

Keywords: new method (AGM), complex non-linear partial differential equations, damping ratio, energy lost per cycle

Procedia PDF Downloads 468
2053 Evaluation and Selection of Elite Jatropha Genotypes for Biofuel

Authors: Bambang Heliyanto, Rully Dyah Purwati, Hasnam, Fadjry Djufry

Abstract:

Jatropha curcas L., a drought tolerant and monoecious perennial shrub, has received attention worldwide during the past decade. Realizing the facts, the Indonesian government has decided to option for Jatropha and palm oil for in country biofuel production. To support the program development of high yielding jatropha varieties is necessary. This paper reviews Jatropha improvement program in Indonesia using mass selection and hybrid development. To start with, at the end of 2005, in-country germplasm collection was mobilized to Lampung and Nusa Tenggara Barat (NTB) provinces and successfully collected 15 provenances/sub-provenances which serves as a base population for selection. A significant improvement has been achieved through a simple recurrent breeding selection during 2006 to 2007. Seed yield productivity increased more than double, from 0.36 to 0.97 ton dry seed per hectare during the first selection cycle (IP-1), and then increased to 2.2 ton per hectare during the second cycles (IP-2) in Lampung provenance. Similar result was also observed in NTB provenance. Seed yield productivity increased from 0.43 ton to 1 ton dry seed per hectare in the first cycle (IP-1), and then 1.9 ton in the second cycle (IP-2). In 2008, the population IP-3 resulted from the third cycle of selection have been identified which were capable of producing 2.2 to 2.4 ton seed yield per hectare. To improve the seed yield per hectare, jatropha hybrid varieties was developed involving superior provenances. As a result a Jatropha Energy Terbarukan (JET) variety-2 was released in 2017 with seed yield potential of 2.6 ton per hectare. The use of this high yielding genotypes for biofuel is discussed.

Keywords: Jatropha curcas, provenance, biofuel, improve population, hybrid

Procedia PDF Downloads 169
2052 Wear Performance of SLM Fabricated 1.2709 Steel Nanocomposite Reinforced by TiC-WC for Mould and Tooling Applications

Authors: Daniel Ferreira, José M. Marques Oliveira, Filipe Oliveira

Abstract:

Wear phenomena is critical in injection moulding processes, causing failure of the components, and making the parts more expensive with an additional wasting time. When very abrasive materials are being injected inside the steel mould’s cavities, such as polymers reinforced with abrasive fibres, the consequences of the wear are more evident. Maraging steel (1.2709) is commonly employed in moulding components to resist in very aggressive injection conditions. In this work, the wear performance of the SLM produced 1.2709 maraging steel reinforced by ultrafine titanium and tungsten carbide (TiC-WC), was investigated using a pin-on-disk testing apparatus. A polypropylene reinforced with 40 wt.% fibreglass (PP40) disk, was used as the counterpart material. The wear tests were performed at 40 N constant load and 0.4 ms-1 sliding speed at room temperature and humidity conditions. The experimental results demonstrated that the wear rate in the 18Ni300-TiC-WC composite is lower than the unreinforced 18Ni300 matrix. The morphology and chemical composition of the worn surfaces was observed by 3D optical profilometry and scanning electron microscopy (SEM), respectively. The resulting debris, caused by friction, were also analysed by SEM and energy dispersive X-ray spectroscopy (EDS). Their morphology showed distinct shapes and sizes, which indicated that the wear mechanisms, may be different in maraging steel produced by casting and SLM. The coefficient of friction (COF) was recorded during the tests, which helped to elucidate the wear mechanisms involved.

Keywords: selective laser melting, nanocomposites, injection moulding, polypropylene with fibreglass

Procedia PDF Downloads 151
2051 Moral Identity and Moral Attentiveness as Predictors of Ethical Leadership in Financial Sector

Authors: Pilar Gamarra Gamarra, Michele Girotto

Abstract:

In the expanding field of leaders’ ethical behavior research, little attention has been paid to the association between finance leaders’ ethical traits (beyond personality) and ethical leadership, and more importantly, how these ethical characteristics can be predictors of ethical behavior at the leadership level in the financial sector. In this study, we tested a theoretical model based on uponsocial cognitive theory (Bandura, 1986) and the cognitive-developmental model (Piaget, 1932) to examine leaders’ moral identity and moral attentiveness as antecedents of ethical leadership. After the 2008 economic crisis, the marketplace has awakened to the potential dangers of unethical behavior. The unethical behavior of the leaders of the financial sector was identified as guilty of this economic catastrophe. For that reason, it seems increasingly prudent for organizations to have leaders who are cognitively inclined toward ethical behavior. This evidence suggests that moral attentiveness and moral identity is perhaps one way of identifying those kinds of leaders. For leaders who are morally attentive and have a high moral identity, themes of ethics interventions are consistent with their way of seeing the word. As a result, these leaders could become critical components of change in organizations and could provide the energy and skills necessary for these efforts to be successful. Ethical behavior of leader from the financial sector and marketing sectors must be joined to manage the change. In this study, a leader’s moral identity, leader’s moral attentiveness, and self-importance of Ethical Leadership are measured for financial and marketing leaders to be compared to determine the relationship between the three variables in each sector. Other conclusion related to gender, educational level or generation are obtained.

Keywords: ethical leadership, moral identity, moral attentiveness, financial leaders, marketing leaders, ethical behavior

Procedia PDF Downloads 174
2050 Biaxial Fatigue Specimen Design and Testing Rig Development

Authors: Ahmed H. Elkholy

Abstract:

An elastic analysis is developed to obtain the distribution of stresses, strains, bending moment and deformation for a thin hollow, variable thickness cylindrical specimen when subjected to different biaxial loadings. The specimen was subjected to a combination of internal pressure, axial tensile loading and external pressure. Several axial to circumferential stress ratios were investigated in detail. The analytical model was then validated using experimental results obtained from a test rig using several biaxial loadings. Based on the preliminary results obtained, the specimen was then modified geometrically to ensure uniform strain distribution through its wall thickness and along its gauge length. The new design of the specimen has a higher buckling strength and a maximum value of equivalent stress according to the maximum distortion energy theory. A cyclic function generator of the standard servo-controlled, electro-hydraulic testing machine is used to generate a specific signal shape (sine, square,…) at a certain frequency. The two independent controllers of the electronic circuit cause an independent movement to each servo-valve piston. The movement of each piston pressurizes the upper and lower sides of the actuators alternately. So, the specimen will be subjected to axial and diametral loads independent of each other. The hydraulic system has two different pressures: one pressure will be responsible for axial stress produced in the specimen and the other will be responsible for the tangential stress. Changing the two pressure ratios will change the stress ratios accordingly. The only restriction on the maximum stress obtained is the capacity of the testing system and specimen instability due to buckling.

Keywords: biaxial, fatigue, stress, testing

Procedia PDF Downloads 127
2049 Stimulating Team Creativity: A Study on Creative-Oriented Integrated Design Companies in Taiwan

Authors: Yueh Hsiu Giffen Cheng, Teng Jung Wang

Abstract:

According to the study of British national advisory council on creative and cultural education(NACCCE, what the present and the future need awesome innovative and creative people from the perspective of commercial human resources. Therefore, we can know from above, creativity plays an important role in today’s enterprise indeed. Besides, many companies are aimed at developing team work as their main goal, so “creativity” and “teamwork” become more and more important factors to succeed and team creativity also turn into an important issue gradually. Then, the study takes in-depth interviews of design companies’ leaders and uses self-designed questionnaire regarding affecting team creativity to conduct cross-analysis. The results show that for those creative-oriented integrated design companies, their design strategies don’t begin until data collection and their scripts are usually the best way to inspire creativity. Besides, passing down a legacy of experiences are their common educational training. Most important of all, their organizational resources and leaders can assist all the team to learn and grow effectively and the good interaction between the leader and the member can also bring work flexibility and efficiency. In short, the leader’s expectation of members’ performance can cause them to encourage each other to progress. Moreover, the analysis of questionnaire indicates that members who are open-minded and leaders who have transformational leadership style can both help to establish a good team interaction. Furthermore, abundant resources and training system are also good approaches to establish a harmonious relationship. Finally, through integrating the outcomes of interviews and questionnaires, we can infer that those integrated design companies’ circumstances of design progress are mainly from their leaders’ guidance. In addition, the analysis of design problems are focused on their creative strategies and their scripts and sketches can also inspire their creativity. In sum, the feature of all team is influenced by 4 factors: leaders who have transformational leadership style, open-minded members, flexible working environment, resources and interactive relationship. Ultimately, the study hopes that the result above can apply to the design-related industries or help general companies elevate the team creativity.

Keywords: creativity, team creativity, integrated design companies, design process

Procedia PDF Downloads 356
2048 Numerical Study on Response of Polymer Electrolyte Fuel Cell (PEFCs) with Defects under Different Load Conditions

Authors: Muhammad Faizan Chinannai, Jaeseung Lee, Mohamed Hassan Gundu, Hyunchul Ju

Abstract:

Fuel cell is known to be an effective renewable energy resource which is commercializing in the present era. It is really important to know about the improvement in performance even when the system faces some defects. This study was carried out to analyze the performance of the Polymer electrolyte fuel cell (PEFCs) under different operating conditions such as current density, relative humidity and Pt loadings considering defects with load changes. The purpose of this study is to analyze the response of the fuel cell system with defects in Balance of Plants (BOPs) and catalyst layer (CL) degradation by maintaining the coolant flow rate as such to preserve the cell temperature at the required level. Multi-Scale Simulation of 3D two-phase PEFC model with coolant was carried out under different load conditions. For detailed analysis and performance comparison, extensive contours of temperature, current density, water content, and relative humidity are provided. The simulation results of the different cases are compared with the reference data. Hence the response of the fuel cell stack with defects in BOP and CL degradations can be analyzed by the temperature difference between the coolant outlet and membrane electrode assembly. The results showed that the Failure of the humidifier increases High-Frequency Resistance (HFR), air flow defects and CL degradation results in the non-uniformity of current density distribution and high cathode activation overpotential, respectively.

Keywords: PEM fuel cell, fuel cell modeling, performance analysis, BOP components, current density distribution, degradation

Procedia PDF Downloads 212
2047 Creating a Rehabilitation Product as an Example of Design Management

Authors: K. Caban-Piaskowska

Abstract:

The aim of the article is to show how the role of a designer has changed, from the point of view of human resources management and thanks to the increased importance of design management, and is to present how a rehabilitation product, through technology approach to designing, becomes a universal product. Designing for the disabled is a very undiscovered area on the pattern-designing market, most often because it is associated with devices which support rehabilitation. In consequence, it means that the realizations have a limited group of receivers and are not that attractive for designers. The relation between using modern design in building rehabilitation devices and increasing the efficiency of treatment and physiotherapy. Using modern technology can have marketing significance. Rehabilitation products designed and produced in a modern way makes an impression that experts and professionals are involved in the lives of the user – patient. In order to illustrate the problem presented above i.e. Creating a rehabilitation product as an example of design management, the case study method was used in the research. The analysis of the case was created on the basis of an interview conducted by the author with a designer who took part in meetings with people who use rehabilitation and their physiotherapists, and created universal products in Poland in the years of 2012 to 2017. Usually, engineers and constructors deal with creating products which remind us of old torture devices, however, they are indestructible in construction. Such image of those products for the disabled clearly indicates that it is a wonderful niche for designers and emphasizes the need to make those products more attractive and innovative. Products for the disabled cannot be limited to rehabilitation equipment only e.g. wheelchairs or standing frames. Introducing the idea of universal designing can significantly broaden the circle of pattern-designing receivers – everyday-use items – with the disabled people. Fulfilling these criteria will decide about the advantage on the competitive market. It is possible due to the usage of the design management concept in the functioning of an organization. Using modern technology and materials in the production of equipment, and changing the role of a designer broadening the circle of receivers by designing a wide use process which makes it possible to use the product by people with various needs. What is more, introducing rehabilitation functions in everyday-use items can also become an innovative accent in designing. In the reality of the market, each group of users can and should be treated as a problem and a realization task.

Keywords: design management, innovation, rehabilitation product, universal product

Procedia PDF Downloads 193
2046 Effect of Proteoliposome Concentration on Salt Rejection Rate of Polysulfone Membrane Prepared by Incorporation of Escherichia coli and Halomonas elongata Aquaporins

Authors: Aysenur Ozturk, Aysen Yildiz, Hilal Yilmaz, Pinar Ergenekon, Melek Ozkan

Abstract:

Water scarcity is one of the most important environmental problems of the World today. Desalination process is regarded as a promising solution to solve drinking water problem of the countries facing with water shortages. Reverse osmosis membranes are widely used for desalination processes. Nano structured biomimetic membrane production is one of the most challenging research subject for improving water filtration efficiency of the membranes and for reducing the cost of desalination processes. There are several researches in the literature on the development of novel biomimetic nanofiltration membranes by incorporation of aquaporin Z molecules. Aquaporins are cell membrane proteins that allow the passage of water molecules and reject all other dissolved solutes. They are present in cell membranes of most of the living organisms and provide high water passage capacity. In this study, GST (Glutathione S-transferas) tagged E. coli aquaporinZ and H. elongate aquaporin proteins, which were previously cloned and characterized, were purified from E. coli BL21 cells and used for fabrication of modified Polysulphone Membrane (PS). Aquaporins were incorporated on the surface of the membrane by using 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) phospolipids as carrier liposomes. Aquaporin containing proteoliposomes were immobilized on the surface of the membrane with m-phenylene-diamine (MPD) and trimesoyl chloride (TMC) rejection layer. Water flux, salt rejection and glucose rejection performances of the thin film composite membranes were tested by using Dead-End Reactor Cell. In this study, effect of proteoliposome concentration, and filtration pressure on water flux and salt rejection rate of membranes were investigated. Type of aquaporin used for membrane fabrication, flux and pressure applied for filtration were found to be important parameters affecting rejection rates. Results suggested that optimization of concentration of aquaporin carriers (proteoliposomes) on the membrane surface is necessary for fabrication of effective composite membranes used for different purposes.

Keywords: aquaporins, biomimmetic membranes, desalination, water treatment

Procedia PDF Downloads 197
2045 Medical Nutritional Therapy in Human Immunodeficiency Virus Infection with Tuberculosis and Severe Malnutrition: A Case Report

Authors: Lista Andriyati, Nurpudji A Taslim

Abstract:

The human immunodeficiency virus (HIV) patients have potential nutritional and metabolic problems. HIV is a virus that attacks cells T helper and impairs the function of immune cells. Infected individuals gradually become immunodeficient, results in increased susceptibility to a wide range of infections such as tuberculosis (TB). Malnutrition has destructive effects on the immune system and host defense mechanisms. Effective and proper nutritional therapies are important to improve medical outcomes and quality of life, which is associated with functional improvement. A case of 38-years old man admitted to hospital with loss of consciousness and was diagnosed HIV infection and relapse lung TB with severe malnutrition, fever, oral candidiasis, anemia (6.3 g/dL), severe hypoalbuminemia (1.9 g/dL), severe hypokalemia (2.2 mmol/L), immune depletion (1085 /µL) and elevated liver enzyme (ALT 1198/AST 375 U/L). Nutritional intervention by giving 2300 kcal of energy, protein 2 g/IBW/day, carbohydrate 350 g, fat 104 g through enteral and parenteral nutrition. Supplementations administered are zinc, vitamin A, vitamin B1, vitamin B6, vitamin B12, vitamin C, vitamin D, and snakehead fish extract high content of protein albumin (Pujimin®). After 46 days, there are clinical and metabolic improvement in Hb (6.3 to 11.2 g/dL), potassium (2.2 to 3.4 mmol/L), albumin (1.9 to 2.3 g/dL), ALT 1198 to 47/AST 375 to 68 U/L) and improved awareness. In conclusion, nutritional therapy in HIV infection with adequate macronutrients and micronutrients fulfillment and immunonutrition is very important to avoid cachexia and to improve nutritional status and immune disfunction.

Keywords: HIV, hypoalbuminemia, malnutrition, tuberculosis

Procedia PDF Downloads 127
2044 A Low-Cost Long-Range 60 GHz Backhaul Wireless Communication System

Authors: Atabak Rashidian

Abstract:

In duplex backhaul wireless communication systems, two separate transmit and receive high-gain antennas are required if an antenna switch is not implemented. Although the switch loss, which is considerable and in the order of 1.5 dB at 60 GHz, is avoided, the large separate antenna systems make the design bulky and not cost-effective. To avoid two large reflectors for such a system, transmit and receive antenna feeds with a common phase center are required. The phase center should coincide with the focal point of the reflector to maximize the efficiency and gain. In this work, we present an ultra-compact design in which stacked patch antennas are used as the feeds for a 12-inch reflector. The transmit antenna is a 1 × 2 array and the receive antenna is a single element located in the middle of the transmit antenna elements. Antenna elements are designed as stacked patches to provide the required impedance bandwidth for four standard channels of WiGigTM applications. The design includes three metallic layers and three dielectric layers, in which the top dielectric layer is a 100 µm-thick protective layer. The top two metallic layers are specified to the main and parasitic patches. The bottom layer is basically ground plane with two circular openings (0.7 mm in diameter) having a center through via which connects the antennas to a single input/output Si-Ge Bi-CMOS transceiver chip. The reflection coefficient of the stacked patch antenna is fully investigated. The -10 dB impedance bandwidth is about 11%. Although the gap between transmit and receive antenna is very small (g = 0.525 mm), the mutual coupling is less than -12 dB over the desired frequency band. The three dimensional radiation patterns of the transmit and receive reflector antennas at 60 GHz is investigated over the impedance bandwidth. About 39 dBi realized gain is achieved. Considering over 15 dBm of output power of the silicon chip in the transmit side, the EIRP should be over 54 dBm, which is good enough for over one kilometer multi Gbps data communications. The performance of the reflector antenna over the bandwidth shows the peak gain is 39 dBi and 40 dBi for the reflector antenna with 2-element and single element feed, respectively. This type of the system design is cost-effective and efficient.

Keywords: Antenna, integrated circuit, millimeter-wave, phase center

Procedia PDF Downloads 120
2043 Drastic Increase of Wave Dissipation within Metastructures Having Negative Stiffness Inclusions

Authors: D. Chronopoulos, I. Antoniadis, V. Spitas, D. Koulocheris, V. Polenta

Abstract:

A concept of a simple linear oscillator, incorporating a negative stiffness element is demonstrated to exhibit extraordinary damping properties. This oscillator shares the same overall (static) stiffness, the same mass and the same damping element with a reference classical linear SDOF oscillator. However, it differs from the original SDOF oscillator by appropriately redistributing the component spring stiffness elements and by re-allocating the damping element. Despite the fact that the proposed oscillator incorporates a negative stiffness element, it is designed to be both statically and dynamically stable. Once such an oscillator is optimally designed, it is shown to exhibit an extraordinary apparent damping ratio, which is even several orders of magnitude higher than that of the original SDOF system, especially in cases where the original damping of the SDOF system is low. This damping behavior is not a result of a novel additional extraordinary energy dissipation mechanism, but a result of the phase difference between the positive and the negative stiffness elastic forces, which is in turn a consequence of the proper re-distribution of the stiffness and the damper elements. This fact ensures that an adequate level of elastic forces exists throughout the entire frequency range, able to counteract the inertial and the excitation forces. Next, Acoustic or Phononic Meta-materials are considered, in which one atom is replaced by the concept of the above simple linear oscillator. The results indicate that not only the damping of the meta-material verifies and exceeds the one expected from the so-called "meta-damping" behavior, but also that the band gap of the meta-material can be significantly increased.

Keywords: wave propagation, periodic structures, wave damping, mechanical engineering

Procedia PDF Downloads 354
2042 Pozzolanic Properties of Synthetic Zeolites as Materials Used for the Production of Building Materials

Authors: Joanna Styczen, Wojciech Franus

Abstract:

Currently, cement production reaches 3-6 Gt per year. The production of one ton of cement is associated with the emission of 0.5 to 1 ton of carbon dioxide into the atmosphere, which means that this process is responsible for 5% of global CO2 emissions. Simply improving the cement manufacturing process is not enough. An effective solution is the use of pozzolanic materials, which can partly replace clinker and thus reduce energy consumption, and emission of pollutants and give mortars the desired characteristics, shaping their microstructure. Pozzolanic additives modify the phase composition of cement, reducing the amount of portlandite and changing the CaO/SiO2 ratio in the C-S-H phase. Zeolites are a pozzolanic additive that is not commonly used. Three types of zeolites were synthesized in work: Na-A, sodalite and ZSM-5 (these zeolites come from three different structural groups). Zeolites were obtained by hydrothermal synthesis of fly ash in an aqueous NaOH solution. Then, the pozzolanicity of the obtained materials was assessed. The pozzolanic activity of the zeolites synthesized for testing was tested by chemical methods in accordance with the ASTM C 379-65 standard. The method consisted in determining the percentage content of active ingredients (soluble silicon oxide and aluminum).in alkaline solutions, i.e. those that are potentially reactive towards calcium hydroxide. The highest amount of active silica was found in zeolite ZSM-5 - 88.15%. The amount of active Al2O3 was small - 1%. The smallest pozzolanic activity was found in the Na-A zeolite (active SiO2 - 4.4%, and active Al2O3 - 2.52). The tests carried out using the XRD, SEM, XRF and textural tests showed that the obtained zeolites are characterized by high porosity, which makes them a valuable addition to mortars.

Keywords: pozzolanic properties, hydration, zeolite, alite

Procedia PDF Downloads 75
2041 Synthesis and Characterization of Mixed ligand complexes of Bipyridyl and Glycine with Different Counter Anions as Functional Antioxidant Enzyme Mimics

Authors: Mohamed M. Ibrahim, Gaber A. M. Mersal, Salih Al-Juaid, Samir A. El-Shazly

Abstract:

A series of mixed ligand complexes, viz., [Cu(BPy)(Gly)X]Y {X = Cl (1), Y = 0; X = 0, Y = ClO4- (2); X = H2O, Y = NO3- (3); X = H2O, Y = CH3COO- (4); and [Cu(BPy)(Gly)-(H2O)]2(SO4) (5) have been synthesized. Their structures and properties were characterized by elemental analysis, thermal analaysis, IR, UV–vis, and ESR spectroscopy, as well as electrochemical measurements including cyclic voltammetry, electrical molar conductivity, and magnetic moment measurements. Complexes 1 and 2 formed slightly distorted square-pyramidal coordination geometries of CuN3OCl and CuN3O2, respectively in which the N,O-donor glycine and N,N-donor bipyridyl bind at the basal plane with chloride ion or water as the axial ligand. Complex 3 shows square planar CuN3O coordination geometry, which exhibits chemically significant hydrogen bonding interactions besides showing coordination polymer formation. The superoxide dismutase and catalase-like activities of all complexes were tested and were found to be promising candidates as durable electron-transfer catalyst being close to the efficiency of the mimicking enzymes displaying either catalase or tyrosinase activity to serve for complete reactive oxygen species (ROS) detoxification, both with respect to superoxide radicals and related peroxides. The DNA binding interaction with super coiled pGEM-T plasmid DNA was investigated by using spectral (absorption and emission) titration and electrochemical techniques. The results revealed that DNA intercalate with complexes 1 and 2 through the groove binding mode. The calculated intrinsic binding constant (Kb) of 1 and 2 were 4.71 and 2.429 × 105 M−1, respectively. Gel electrophoresis study reveals the fact that both complexes cleave super coiled pGEM-T plasmid DNA to nicked and linear forms in the absence of any additives. On the other hand, the interaction of both complexes with DNA, the quasi-reversible CuII/CuI redox couple slightly improves its reversibility with considerable decrease in current intensity. All the experimental results indicate that the bipyridyl mixed copper(II) complex (1) intercalate more effectively into the DNA base pairs.

Keywords: enzyme mimics, mixed ligand complexes, X-ray structures, antioxidant, DNA-binding, DNA cleavage

Procedia PDF Downloads 543
2040 Molecular-Dynamics Study of H₂-C₃H₈-Hydrate Dissociation: Non-Equilibrium Analysis

Authors: Mohammad Reza Ghaani, Niall English

Abstract:

Hydrogen is looked upon as the next-generation clean-energy carrier; the search for an efficient material and method for storing hydrogen has been, and is, pursued relentlessly. Clathrate hydrates are inclusion compounds wherein guest gas molecules like hydrogen are trapped in a host water-lattice framework. These types of materials can be categorised as potentially attractive hosting environments for physical hydrogen storage (i.e., no chemical reaction upon storage). Non-equilibrium molecular dynamics (NEMD) simulations have been performed to investigate thermal-driven break-up of propane-hydrate interfaces with liquid water at 270-300 K, with the propane hydrate containing either one or no hydrogen molecule in each of its small cavities. In addition, two types of hydrate-surface water-lattice molecular termination were adopted, at the hydrate edge with water: a 001-direct surface cleavage and one with completed cages. The geometric hydrate-ice-liquid distinction criteria of Báez and Clancy were employed to distinguish between the hydrate, ice lattices, and liquid-phase. Consequently, the melting temperatures of interface were estimated, and dissociation rates were observed to be strongly dependent on temperature, with higher dissociation rates at larger over-temperatures vis-à-vis melting. The different hydrate-edge terminations for the hydrate-water interface led to statistically-significant differences in the observed melting point and dissociation profile: it was found that the clathrate with the planar interface melts at around 280 K, whilst the melting temperature of the cage-completed interface was determined to be circa 270 K.

Keywords: hydrogen storage, clathrate hydrate, molecular dynamics, thermal dissociation

Procedia PDF Downloads 272
2039 Super-Exchange Coupling in Oxygen Rich Rare-Earth Based Sm₂MnRuO₆₊δ Double Perovskite

Authors: S. Nqayi, B. Sondezi

Abstract:

A rare-earth-based Sm₂MnRuO₆₊δ (SMRO) double perovskite was prepared using a high-temperature solid-state reaction. The structural, morphological, chemical, thermodynamic, and magnetic properties were measured with X-ray diffraction (XRD), energy dispersive spectroscopy (EDS), X-ray photoemission spectroscopy (XPS), and vibrating sample magnetometer (VSM), respectively. The XRD revealed a tetragonal structure belonging to the I4/mmm space group, number 139, with linear Mn−O−Ru bonds. Replacing the well-studied alkaline earth metal with a rare-earth element increased the Mn-O bond length difference between the shorter equatorial (Mn-Oab) and the axial (Mn-Oc) bonds by approximately 6.3%. The elemental composition showed an O-rich double perovskite with a Ru deficit, which encourages the formation of a Ru⁶⁺ (d²) state. XPS spectra of Sm-3d, Ru-3d, and Mn-2p revealed the coexistence of a double oxidation state for each cation; Sm²⁺, Sm³⁺, Ru³⁺, Ru⁶⁺, Mn²⁺ , and Mn³⁺, in varying proportions. Entropy studies showed drastic ordering of spins at low temperatures (up to 12.4 K), whilst increasing temperatures above this point resulted in a drastic increase of disorder of the spins (up to 43.26 K), beyond which a constant slope of entropy is observed. Magnetic measurements revealed two magnetic ground states at TN = 12.4 K and TC = 43.3 K ordering antiferromagnetically (AFM) and ferromagnetically (FM), respectively. Kneller fit further showed that the materials become completely paramagnetic at TB = 88.1 K, (the blocking temperature). The existence of ferromagnetic (FM) super-exchange coupling in this work originating from Mn³⁺ (t³₂𝓰e¹𝓰)−O−Ru³⁺ (t⁵₂𝓰e⁰𝓰) and Mn²⁺ (t³₂𝓰e²𝓰−O−Ru⁶⁺ (t²₂𝓰e⁰𝓰) which plays an important role in suppressing the Mn/Ru−O−Mn/Ru antiferromagnetic (AFM) interactions.

Keywords: solid-state reaction, super-exchange coupling, ferromagnetic, Kneller’s law, entropy

Procedia PDF Downloads 18