Search results for: morphology optimization
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4693

Search results for: morphology optimization

3523 Electroactive Fluorene-Based Polymer Films Obtained by Electropolymerization

Authors: Mariana-Dana Damaceanu

Abstract:

Electrochemical oxidation is one of the most convenient ways to obtain conjugated polymer films as polypyrrole, polyaniline, polythiophene or polycarbazole. The research in the field has been mainly directed to the study of electrical conduction properties of the materials obtained by electropolymerization, often the main reason being their use as electroconducting electrodes, and very little attention has been paid to the morphological and optical quality of the films electrodeposited on flat surfaces. Electropolymerization of the monomer solution was scarcely used in the past to manufacture polymer-based light-emitting diodes (PLED), most probably due to the difficulty of obtaining defectless polymer films with good mechanical and optical properties, or conductive polymers with well controlled molecular weights. Here we report our attempts in using electrochemical deposition as appropriate method for preparing ultrathin films of fluorene-based polymers for PLED applications. The properties of these films were evaluated in terms of structural morphology, optical properties, and electrochemical conduction. Thus, electropolymerization of 4,4'-(9-fluorenylidene)-dianiline was performed in dichloromethane solution, at a concentration of 10-2 M, using 0.1 M tetrabutylammonium tetrafluoroborate as electrolyte salt. The potential was scanned between 0 and 1.3 V on the one hand, and 0 - 2 V on the other hand, when polymer films with different structures and properties were obtained. Indium tin oxide-coated glass substrate of different size was used as working electrode, platinum wire as counter electrode and calomel electrode as reference. For each potential range 100 cycles were recorded at a scan rate of 100 mV/s. The film obtained in the potential range from 0 to 1.3 V, namely poly(FDA-NH), is visible to the naked eye, being light brown, transparent and fluorescent, and displays an amorphous morphology. Instead, the electrogrowth poly(FDA) film in the potential range of 0 - 2 V is yellowish-brown and opaque, presenting a self-assembled structure in aggregates of irregular shape and size. The polymers structure was identified by FTIR spectroscopy, which shows the presence of broad bands specific to a polymer, the band centered at approx. 3443 cm-1 being ascribed to the secondary amine. The two polymer films display two absorption maxima, at 434-436 nm assigned to π-π* transitions of polymers, and another at 832 and 880 nm assigned to polaron transitions. The fluorescence spectra indicated the presence of emission bands in the blue domain, with two peaks at 422 and 488 nm for poly (FDA-NH), and four narrow peaks at 422, 447, 460 and 484 nm for poly(FDA), peaks originating from fluorene-containing segments of varying degrees of conjugation. Poly(FDA-NH) exhibited two oxidation peaks in the anodic region and the HOMO energy value of 5.41 eV, whereas poly(FDA) showed only one oxidation peak and the HOMO level localized at 5.29 eV. The electrochemical data are discussed in close correlation with the proposed chemical structure of the electrogrowth films. Further research will be carried out to study their use and performance in light-emitting devices.

Keywords: electrogrowth polymer films, fluorene, morphology, optical properties

Procedia PDF Downloads 345
3522 Modeling Water Resources Carrying Capacity, Optimizing Water Treatment, Smart Water Management, and Conceptualizing a Watershed Management Approach

Authors: Pius Babuna

Abstract:

Sustainable water use is important for the existence of the human race. Water resources carrying capacity (WRCC) measures the sustainability of water use; however, the calculation and optimization of WRCC remain challenging. This study used a mathematical model (the Logistics Growth of Water Resources -LGWR) and a linear objective function to model water sustainability. We tested the validity of the models using data from Ghana. Total freshwater resources, water withdrawal, and population data were used in MATLAB. The results show that the WRCC remains sustainable until the year 2132 ±18, when half of the total annual water resources will be used. The optimized water treatment cost suggests that Ghana currently wastes GHȼ 1115.782± 50 cedis (~$182.21± 50) per water treatment plant per month or ~ 0.67 million gallons of water in an avoidable loss. Adopting an optimized water treatment scheme and a watershed management approach will help sustain the WRCC.

Keywords: water resources carrying capacity, smart water management, optimization, sustainable water use, water withdrawal

Procedia PDF Downloads 88
3521 Wireless Sensor Networks Optimization by Using 2-Stage Algorithm Based on Imperialist Competitive Algorithm

Authors: Hamid R. Lashgarian Azad, Seyed N. Shetab Boushehri

Abstract:

Wireless sensor networks (WSN) have become progressively popular due to their wide range of applications. Wireless Sensor Network is made of numerous tiny sensor nodes that are battery-powered. It is a very significant problem to maximize the lifetime of wireless sensor networks. In this paper, we propose a two-stage protocol based on an imperialist competitive algorithm (2S-ICA) to solve a sensor network optimization problem. The energy of the sensors can be greatly reduced and the lifetime of the network reduced by long communication distances between the sensors and the sink. We can minimize the overall communication distance considerably, thereby extending the lifetime of the network lifetime through connecting sensors into a series of independent clusters using 2SICA. Comparison results of the proposed protocol and LEACH protocol, which is common to solving WSN problems, show that our protocol has a better performance in terms of improving network life and increasing the number of transmitted data.

Keywords: wireless sensor network, imperialist competitive algorithm, LEACH protocol, k-means clustering

Procedia PDF Downloads 105
3520 The Genesis of the Anomalous Sernio Fan (Valtellina, Northern Italy)

Authors: Erika De Finis, Paola Gattinoni, Laura Scesi

Abstract:

Massive rock avalanches formed some of the largest landslide deposits on Earth and they represent one of the major geohazards in high-relief mountains. This paper interprets a very large sedimentary fan (the Sernio fan, Valtellina, Northern Italy), located 20 Km SW from Val Pola Rock avalanche (1987), as the deposit of a partial collapse of a Deep Seated Gravitational Slope Deformation (DSGSD), afterwards eroded and buried by debris flows. The proposed emplacement sequence has been reconstructed based on geomorphological, structural and mechanical evidences. The Sernio fan is actually considered anomalous with reference to the very high ratio between the fan area (about 4.5km2) and the basin area (about 3km2). The morphology of the fan area is characterised by steep slopes (dip about 20%) and the fan apex is extended for 1.8 km inside the small catchment basin. This sedimentary fan was originated by a landslide that interested a part of a large deep-seated gravitational slope deformation, involving a wide area of about 55 km². The main controlling factor is tectonic and it is related to the proximity to regional fault systems and the consequent occurrence of fault weak rocks (GSI locally lower than 10 with compressive stress lower than 20MPa). Moreover, the fan deposit shows sedimentary evidences of recent debris flow events. The best current explanation of the Sernio fan involves an initial failure of some hundreds of Mm3. The run-out was quite limited because of the morphology of Valtellina’s valley floor, and the deposit filled the main valley forming a landslide dam, as confirmed by the lacustrine deposits detected upstream the fan. Nowadays the debris flow events represent the main hazard in the study area.

Keywords: anomalous sedimentary fans, deep seated gravitational slope deformation, Italy, rock avalanche

Procedia PDF Downloads 477
3519 Type–2 Fuzzy Programming for Optimizing the Heat Rate of an Industrial Gas Turbine via Absorption Chiller Technology

Authors: T. Ganesan, M. S. Aris, I. Elamvazuthi, Momen Kamal Tageldeen

Abstract:

Terms set in power purchase agreements (PPA) challenge power utility companies in balancing between the returns (from maximizing power production) and securing long term supply contracts at capped production. The production limitation set in the PPA has driven efforts to maximize profits through efficient and economic power production. In this paper, a combined industrial-scale gas turbine (GT) - absorption chiller (AC) system is considered to cool the GT air intake for reducing the plant’s heat rate (HR). This GT-AC system is optimized while considering power output limitations imposed by the PPA. In addition, the proposed formulation accounts for uncertainties in the ambient temperature using Type-2 fuzzy programming. Using the enhanced chaotic differential evolution (CEDE), the Pareto frontier was constructed and the optimization results are analyzed in detail.

Keywords: absorption chillers (AC), turbine inlet air cooling (TIC), power purchase agreement (PPA), multiobjective optimization, type-2 fuzzy programming, chaotic differential evolution (CDDE)

Procedia PDF Downloads 312
3518 Structural and Morphological Characterization of Inorganic Deposits in Spinal Ligaments

Authors: Sylwia Orzechowska, Andrzej Wróbel, Eugeniusz Rokita

Abstract:

The mineralization is a curious problem of connective tissues. Factors which may play a decisive role in the regulation of the yellow ligaments (YL) mineralization are still open questions. The aim of the studies was a detailed description of the chemical composition and morphology of mineral deposits in the human yellow ligaments. Investigations of the structural features of deposits were used to explain the impact of various factors on mineralization process. The studies were carried out on 24 YL samples, surgically removed from patients suffer from spinal canal stenosis and the patients who sustained a trauma. The micro-computed tomography was used to describe the morphology of mineral deposits. The X-ray fluorescence method and Fourier transform infrared spectroscopy were applied to determine the chemical composition of the samples. In order to eliminate the effect of blur in microtomographic images, the correction method of partial volume effect was used. The mineral deposits appear in 60% of YL samples, both in patients with a stenosis and following injury. The mineral deposits have a heterogeneous structure and they are a mixture of the tissue and mineral grains. The volume of mineral grains amounts to (1.9 ± 3.4)*10-3 mm3 while the density distribution of grains occurs in two distinct ranges (1.75 - 2.15 and 2.15-2.5) g/cm3. Application of the partial volume effect correction allows accurate calculations by eliminating the averaging effect of gray levels in tomographic images. The B-type carbonate-containing hydroxyapatite constitutes the mineral phase of majority YLs. The main phase of two samples was calcium pyrophosphate dihydrate (CPPD). The elemental composition of minerals in all samples is almost identical. This pathology may be independent on the spine diseases and it does not evoke canal stenosis. The two ranges of grains density indicate two stages of grains growth and the degree of maturity. The presence of CPPD crystals may coexist with other pathologies.

Keywords: FTIR, micro-tomography, mineralization, spinal ligaments

Procedia PDF Downloads 377
3517 Optimization of Pretreatment Process of Napier Grass for Improved Sugar Yield

Authors: Shashikant Kumar, Chandraraj K.

Abstract:

Perennial grasses have presented interesting choices in the current demand for renewable and sustainable energy sources to alleviate the load of the global energy problem. The perennial grass Napier grass (Pennisetum purpureum Schumach) is a promising feedstock for the production of cellulosic ethanol. The conversion of biomass into glucose and xylose is a crucial stage in the production of bioethanol, and it necessitates optimal pretreatment. Alkali treatment, among the several pretreatments available, effectively reduces lignin concentration and crystallinity of cellulose. Response surface methodology was used to optimize the alkali pretreatment of Napier grass for maximal reducing sugar production. The combined effects of three independent variables, viz. sodium hydroxide concentration, temperature, and reaction time, were studied. A second-order polynomial equation was used to fit the observed data. Maximum reducing sugar (590.54 mg/g) was obtained under the following conditions: 1.6 % sodium hydroxide, a reaction period of 30 min., and 120˚C. The results showed that Napier grass is a desirable feedstock for bioethanol production.

Keywords: Napier grass, optimization, pretreatment, sodium hydroxide

Procedia PDF Downloads 507
3516 Estimation of Synchronous Machine Synchronizing and Damping Torque Coefficients

Authors: Khaled M. EL-Naggar

Abstract:

Synchronizing and damping torque coefficients of a synchronous machine can give a quite clear picture for machine behavior during transients. These coefficients are used as a power system transient stability measurement. In this paper, a crow search optimization algorithm is presented and implemented to study the power system stability during transients. The algorithm makes use of the machine responses to perform the stability study in time domain. The problem is formulated as a dynamic estimation problem. An objective function that minimizes the error square in the estimated coefficients is designed. The method is tested using practical system with different study cases. Results are reported and a thorough discussion is presented. The study illustrates that the proposed method can estimate the stability coefficients for the critical stable cases where other methods may fail. The tests proved that the proposed tool is an accurate and reliable tool for estimating the machine coefficients for assessment of power system stability.

Keywords: optimization, estimation, synchronous, machine, crow search

Procedia PDF Downloads 140
3515 A Robust Optimization Method for Service Quality Improvement in Health Care Systems under Budget Uncertainty

Authors: H. Ashrafi, S. Ebrahimi, H. Kamalzadeh

Abstract:

With the development of business competition, it is important for healthcare providers to improve their service qualities. In order to improve service quality of a clinic, four important dimensions are defined: tangibles, responsiveness, empathy, and reliability. Moreover, there are several service stages in hospitals such as financial screening and examination. One of the most challenging limitations for improving service quality is budget which impressively affects the service quality. In this paper, we present an approach to address budget uncertainty and provide guidelines for service resource allocation. In this paper, a service quality improvement approach is proposed which can be adopted to multistage service processes to improve service quality, while controlling the costs. A multi-objective function based on the importance of each area and dimension is defined to link operational variables to service quality dimensions. The results demonstrate that our approach is not ultra-conservative and it shows the actual condition very well. Moreover, it is shown that different strategies can affect the number of employees in different stages.

Keywords: allocation, budget uncertainty, healthcare resource, service quality assessment, robust optimization

Procedia PDF Downloads 185
3514 Clustering Based Level Set Evaluation for Low Contrast Images

Authors: Bikshalu Kalagadda, Srikanth Rangu

Abstract:

The important object of images segmentation is to extract objects with respect to some input features. One of the important methods for image segmentation is Level set method. Generally medical images and synthetic images with low contrast of pixel profile, for such images difficult to locate interested features in images. In conventional level set function, develops irregularity during its process of evaluation of contour of objects, this destroy the stability of evolution process. For this problem a remedy is proposed, a new hybrid algorithm is Clustering Level Set Evolution. Kernel fuzzy particles swarm optimization clustering with the Distance Regularized Level Set (DRLS) and Selective Binary, and Gaussian Filtering Regularized Level Set (SBGFRLS) methods are used. The ability of identifying different regions becomes easy with improved speed. Efficiency of the modified method can be evaluated by comparing with the previous method for similar specifications. Comparison can be carried out by considering medical and synthetic images.

Keywords: segmentation, clustering, level set function, re-initialization, Kernel fuzzy, swarm optimization

Procedia PDF Downloads 352
3513 Optimal Capacitor Placement in Distribution Using Cuckoo Optimization Algorithm

Authors: Ali Ravangard, S. Mohammadi

Abstract:

Shunt Capacitors have several uses in the electric power systems. They are utilized as sources of reactive power by connecting them in line-to-neutral. Electric utilities have also connected capacitors in series with long lines in order to reduce its impedance. This is particularly common in the transmission level, where the lines have length in several hundreds of kilometers. However, this post will generally discuss shunt capacitors. In distribution systems, shunt capacitors are used to reduce power losses, to improve voltage profile, and to increase the maximum flow through cables and transformers. This paper presents a new method to determine the optimal locations and economical sizing of fixed and/or switched shunt capacitors with a view to power losses reduction and voltage stability enhancement. For solving the problem, a new enhanced cuckoo optimization algorithm is presented.The proposed method is tested on distribution test system and the results show that the algorithm suitable for practical implementation on real systems with any size.

Keywords: capacitor placement, power losses, voltage stability, radial distribution systems

Procedia PDF Downloads 377
3512 Cross-Dipole Right-Hand Circularly Polarized UHF/VHF Yagi-Uda Antenna for Satellite Applications

Authors: Shativel S., Chandana B. R., Kavya B. C., Obli B. Vikram, Suganthi J., Nagendra Rao G.

Abstract:

Satellite communication plays a pivotal role in modern global communication networks, serving as a vital link between terrestrial infrastructure and remote regions. The demand for reliable satellite reception systems, especially in UHF (Ultra High Frequency) and VHF (Very High Frequency) bands, has grown significantly over the years. This research paper presents the design and optimization of a high-gain, dual-band crossed Yagi-Uda antenna in CST Studio Suite, specifically tailored for satellite reception. The proposed antenna system incorporates a circularly polarized (Right-Hand Circular Polarization - RHCP) design to reduce Faraday loss. Our aim was to use fewer elements and achieve gain, so the antenna is constructed using 6x2 elements arranged in cross dipole and supported with a boom. We have achieved 10.67dBi at 146MHz and 9.28dBi at 437.5MHz.The process includes parameter optimization and fine-tuning of the Yagi-Uda array’s elements, such as the length and spacing of directors and reflectors, to achieve high gain and desirable radiation patterns. Furthermore, the optimization process considers the requirements for UHF and VHF frequency bands, ensuring broad frequency coverage for satellite reception. The results of this research are anticipated to significantly contribute to the advancement of satellite reception systems, enhancing their capabilities to reliably connect remote and underserved areas to the global communication network. Through innovative antenna design and simulation techniques, this study seeks to provide a foundation for the development of next-generation satellite communication infrastructure.

Keywords: Yagi-Uda antenna, RHCP, gain, UHF antenna, VHF antenna, CST, radiation pattern.

Procedia PDF Downloads 62
3511 The Optimization of Topical Antineoplastic Therapy Using Controlled Release Systems Based on Amino-functionalized Mesoporous Silica

Authors: Lacramioara Ochiuz, Aurelia Vasile, Iulian Stoleriu, Cristina Ghiciuc, Maria Ignat

Abstract:

Topical administration of chemotherapeutic agents (eg. carmustine, bexarotene, mechlorethamine etc.) in local treatment of cutaneous T-cell lymphoma (CTCL) is accompanied by multiple side effects, such as contact hypersensitivity, pruritus, skin atrophy or even secondary malignancies. A known method of reducing the side effects of anticancer agent is the development of modified drug release systems using drug incapsulation in biocompatible nanoporous inorganic matrices, such as mesoporous MCM-41 silica. Mesoporous MCM-41 silica is characterized by large specific surface, high pore volume, uniform porosity, and stable dispersion in aqueous medium, excellent biocompatibility, in vivo biodegradability and capacity to be functionalized with different organic groups. Therefore, MCM-41 is an attractive candidate for a wide range of biomedical applications, such as controlled drug release, bone regeneration, protein immobilization, enzymes, etc. The main advantage of this material lies in its ability to host a large amount of the active substance in uniform pore system with adjustable size in a mesoscopic range. Silanol groups allow surface controlled functionalization leading to control of drug loading and release. This study shows (I) the amino-grafting optimization of mesoporous MCM-41 silica matrix by means of co-condensation during synthesis and post-synthesis using APTES (3-aminopropyltriethoxysilane); (ii) loading the therapeutic agent (carmustine) obtaining a modified drug release systems; (iii) determining the profile of in vitro carmustine release from these systems; (iv) assessment of carmustine release kinetics by fitting on four mathematical models. Obtained powders have been described in terms of structure, texture, morphology thermogravimetric analysis. The concentration of the therapeutic agent in the dissolution medium has been determined by HPLC method. In vitro dissolution tests have been done using cell Enhancer in a 12 hours interval. Analysis of carmustine release kinetics from mesoporous systems was made by fitting to zero-order model, first-order model Higuchi model and Korsmeyer-Peppas model, respectively. Results showed that both types of highly ordered mesoporous silica (amino grafted by co-condensation process or post-synthesis) are thermally stable in aqueous medium. In what regards the degree of loading and efficiency of loading with the therapeutic agent, there has been noticed an increase of around 10% in case of co-condensation method application. This result shows that direct co-condensation leads to even distribution of amino groups on the pore walls while in case of post-synthesis grafting many amino groups are concentrated near the pore opening and/or on external surface. In vitro dissolution tests showed an extended carmustine release (more than 86% m/m) both from systems based on silica functionalized directly by co-condensation and after synthesis. Assessment of carmustine release kinetics revealed a release through diffusion from all studied systems as a result of fitting to Higuchi model. The results of this study proved that amino-functionalized mesoporous silica may be used as a matrix for optimizing the anti-cancer topical therapy by loading carmustine and developing prolonged-release systems.

Keywords: carmustine, silica, controlled, release

Procedia PDF Downloads 264
3510 Role of Calcination Treatment on the Structural Properties and Photocatalytic Activity of Nanorice N-Doped TiO₂ Catalyst

Authors: Totsaporn Suwannaruang, Kitirote Wantala

Abstract:

The purposes of this research were to synthesize titanium dioxide photocatalyst doped with nitrogen (N-doped TiO₂) by hydrothermal method and to test the photocatalytic degradation of paraquat under UV and visible light illumination. The effect of calcination treatment temperature on their physical and chemical properties and photocatalytic efficiencies were also investigated. The characterizations of calcined N-doped TiO₂ photocatalysts such as specific surface area, textural properties, bandgap energy, surface morphology, crystallinity, phase structure, elements and state of charges were investigated by Brunauer, Emmett, Teller (BET) and Barrett, Joyner, Halenda (BJH) equations, UV-Visible diffuse reflectance spectroscopy (UV-Vis-DRS) by using the Kubelka-Munk theory, Wide-angle X-ray scattering (WAXS), Focussed ion beam scanning electron microscopy (FIB-SEM), X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS), respectively. The results showed that the effect of calcination temperature was significant on surface morphology, crystallinity, specific surface area, pore size diameter, bandgap energy and nitrogen content level, but insignificant on phase structure and oxidation state of titanium (Ti) atom. The N-doped TiO₂ samples illustrated only anatase crystalline phase due to nitrogen dopant in TiO₂ restrained the phase transformation from anatase to rutile. The samples presented the nanorice-like morphology. The expansion on the particle was found at 650 and 700°C of calcination temperature, resulting in increased pore size diameter. The bandgap energy was determined by Kubelka-Munk theory to be in the range 3.07-3.18 eV, which appeared slightly lower than anatase standard (3.20 eV), resulting in the nitrogen dopant could modify the optical absorption edge of TiO₂ from UV to visible light region. The nitrogen content was observed at 100, 300 and 400°C only. Also, the nitrogen element disappeared at 500°C onwards. The nitrogen (N) atom can be incorporated in TiO₂ structure with the interstitial site. The uncalcined (100°C) sample displayed the highest percent paraquat degradation under UV and visible light irradiation due to this sample revealed both the highest specific surface area and nitrogen content level. Moreover, percent paraquat removal significantly decreased with increasing calcination treatment temperature. The nitrogen content level in TiO₂ accelerated the rate of reaction with combining the effect of the specific surface area that generated the electrons and holes during illuminated with light. Therefore, the specific surface area and nitrogen content level demonstrated the important roles in the photocatalytic activity of paraquat under UV and visible light illumination.

Keywords: restraining phase transformation, interstitial site, chemical charge state, photocatalysis, paraquat degradation

Procedia PDF Downloads 158
3509 Value Engineering and Its Impact on Drainage Design Optimization for Penang International Airport Expansion

Authors: R.M. Asyraf, A. Norazah, S.M. Khairuddin, B. Noraziah

Abstract:

Designing a system at present requires a vital, challenging task; to ensure the design philosophy is maintained in economical ways. This paper perceived the value engineering (VE) approach applied in infrastructure works, namely stormwater drainage. This method is adopted in line as consultants have completed the detailed design. Function Analysis System Technique (FAST) diagram and VE job plan, information, function analysis, creative judgement, development, and recommendation phase are used to scrutinize the initial design of stormwater drainage. An estimated cost reduction using the VE approach of 2% over the initial proposal was obtained. This cost reduction is obtained from the design optimization of the drainage foundation and structural system, where the pile design and drainage base structure are optimized. Likewise, the design of the on-site detention tank (OSD) pump was revised and contribute to the cost reduction obtained. This case study shows that the VE approach can be an important tool in optimizing the design to reduce costs.

Keywords: value engineering, function analysis system technique, stormwater drainage, cost reduction

Procedia PDF Downloads 147
3508 User-Based Cannibalization Mitigation in an Online Marketplace

Authors: Vivian Guo, Yan Qu

Abstract:

Online marketplaces are not only digital places where consumers buy and sell merchandise, and they are also destinations for brands to connect with real consumers at the moment when customers are in the shopping mindset. For many marketplaces, brands have been important partners through advertising. There can be, however, a risk of advertising impacting a consumer’s shopping journey if it hurts the use experience or takes the user away from the site. Both could lead to the loss of transaction revenue for the marketplace. In this paper, we present user-based methods for cannibalization control by selectively turning off ads to users who are likely to be cannibalized by ads subject to business objectives. We present ways of measuring cannibalization of advertising in the context of an online marketplace and propose novel ways of measuring cannibalization through purchase propensity and uplift modeling. A/B testing has shown that our methods can significantly improve user purchase and engagement metrics while operating within business objectives. To our knowledge, this is the first paper that addresses cannibalization mitigation at the user-level in the context of advertising.

Keywords: cannibalization, machine learning, online marketplace, revenue optimization, yield optimization

Procedia PDF Downloads 160
3507 Molecular and Electronic Structure of Chromium (III) Cyclopentadienyl Complexes

Authors: Salem El-Tohami Ashoor

Abstract:

Here we show that the reduction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, this was optimization by using density functional theory (DFT) and then was comparing with experimental data, also other possibility of Cp interacted with ion metal were tested like η1 ,η2 ,η3 and η4 under optimization system. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP ( Becke)( Lee–Yang–Parr ) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) was found to be thermally more stable than others of chromium cyclopentadienyl. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Chromium(III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO

Procedia PDF Downloads 506
3506 A Comparative Study of Sampling-Based Uncertainty Propagation with First Order Error Analysis and Percentile-Based Optimization

Authors: M. Gulam Kibria, Shourav Ahmed, Kais Zaman

Abstract:

In system analysis, the information on the uncertain input variables cause uncertainty in the system responses. Different probabilistic approaches for uncertainty representation and propagation in such cases exist in the literature. Different uncertainty representation approaches result in different outputs. Some of the approaches might result in a better estimation of system response than the other approaches. The NASA Langley Multidisciplinary Uncertainty Quantification Challenge (MUQC) has posed challenges about uncertainty quantification. Subproblem A, the uncertainty characterization subproblem, of the challenge posed is addressed in this study. In this subproblem, the challenge is to gather knowledge about unknown model inputs which have inherent aleatory and epistemic uncertainties in them with responses (output) of the given computational model. We use two different methodologies to approach the problem. In the first methodology we use sampling-based uncertainty propagation with first order error analysis. In the other approach we place emphasis on the use of Percentile-Based Optimization (PBO). The NASA Langley MUQC’s subproblem A is developed in such a way that both aleatory and epistemic uncertainties need to be managed. The challenge problem classifies each uncertain parameter as belonging to one the following three types: (i) An aleatory uncertainty modeled as a random variable. It has a fixed functional form and known coefficients. This uncertainty cannot be reduced. (ii) An epistemic uncertainty modeled as a fixed but poorly known physical quantity that lies within a given interval. This uncertainty is reducible. (iii) A parameter might be aleatory but sufficient data might not be available to adequately model it as a single random variable. For example, the parameters of a normal variable, e.g., the mean and standard deviation, might not be precisely known but could be assumed to lie within some intervals. It results in a distributional p-box having the physical parameter with an aleatory uncertainty, but the parameters prescribing its mathematical model are subjected to epistemic uncertainties. Each of the parameters of the random variable is an unknown element of a known interval. This uncertainty is reducible. From the study, it is observed that due to practical limitations or computational expense, the sampling is not exhaustive in sampling-based methodology. That is why the sampling-based methodology has high probability of underestimating the output bounds. Therefore, an optimization-based strategy to convert uncertainty described by interval data into a probabilistic framework is necessary. This is achieved in this study by using PBO.

Keywords: aleatory uncertainty, epistemic uncertainty, first order error analysis, uncertainty quantification, percentile-based optimization

Procedia PDF Downloads 241
3505 Microencapsulation of Tuna Oil and Mentha Piperita Oil Mixture using Different Combinations of Wall Materials with Whey Protein Isolate

Authors: Amr Mohamed Bakry Ibrahim, Yingzhou Ni, Hao Cheng, Li Liang

Abstract:

Tuna oil (omega-3 oil) has become increasingly popular in the last ten years, because it is considered one of the treasures of food which has many beneficial health effects for the humans. Nevertheless, the susceptibility of omega-3 oils to oxidative deterioration, resulting in the formation of oxidation products, in addition to organoleptic problems including “fishy” flavors, have presented obstacles to the more widespread use of tuna oils in the food industry. This study sought to evaluate the potential impact of Mentha piperita oil on physicochemical characteristics and oxidative stability of tuna oil microcapsules formed by spray drying using the partial substitution to whey protein isolate by carboxymethyl cellulose and pullulan. The emulsions before the drying process were characterized regarding size and ζ-potential, viscosity, surface tension. Confocal laser scanning microscopy showed that all emulsions were sphericity and homogeneous distribution without any visible particle aggregation. The microcapsules obtained after spray drying were characterized regarding microencapsulation efficiency, water activity, color, bulk density, flowability, scanning surface morphology and oxidative stability. The microcapsules were spherical shape had low water activity (0.11-0.23 aw). The microcapsules containing both tuna oil and Mentha piperita oil were smaller than others and addition of pullulan into wall materials improved the morphology of microcapsules. Microencapsulation efficiency of powdered oil ranged from 90% to 94%. Using Mentha piperita oil in the process of microencapsulation tuna oil enhanced the oxidative stability using whey protein isolate only or with carboxymethyl cellulose or pullulan as wall materials, resulting in improved storage stability and mask fishy odor. Therefore, it is foreseen using tuna-Mentha piperita oil mixture microcapsules in the applications of the food industries.

Keywords: Mentha piperita oil, microcapsule, tuna oil, whey protein isolate

Procedia PDF Downloads 352
3504 Utilization of Mustard Leaves (Brassica juncea) Powder for the Development of Cereal Based Extruded Snacks

Authors: Maya S. Rathod, Bahadur Singh Hathan

Abstract:

Mustard leaves are rich in folates, vitamin A, K and B-complex. Mustard greens are low in calories and fats and rich in dietary fiber. They are rich in potassium, manganese, iron, copper, calcium, magnesium and low in sodium. It is very rich in antioxidants and Phytonutrients. For the optimization of process variables (moisture content and mustard leave powder), the experiments were conducted according to central composite Face Centered Composite design of RSM. The mustard leaves powder was replaced with composite flour (a combination of rice, chickpea and corn in the ratio of 70:15:15). The extrudate was extruded in a twin screw extruder at a barrel temperature of 120°C. The independent variables were mustard leaves powder (2-10 %) and moisture content (12-20 %). Responses analyzed were bulk density, water solubility index, water absorption index, lateral expansion, hardness, antioxidant activity, total phenolic content and overall acceptability. The optimum conditions obtained were 7.19 g mustard leaves powder in 100 g premix having 16.8 % moisture content (w.b).

Keywords: extrusion, mustard leaves powder, optimization, response surface methodology

Procedia PDF Downloads 546
3503 Profit-Based Artificial Neural Network (ANN) Trained by Migrating Birds Optimization: A Case Study in Credit Card Fraud Detection

Authors: Ashkan Zakaryazad, Ekrem Duman

Abstract:

A typical classification technique ranks the instances in a data set according to the likelihood of belonging to one (positive) class. A credit card (CC) fraud detection model ranks the transactions in terms of probability of being fraud. In fact, this approach is often criticized, because firms do not care about fraud probability but about the profitability or costliness of detecting a fraudulent transaction. The key contribution in this study is to focus on the profit maximization in the model building step. The artificial neural network proposed in this study works based on profit maximization instead of minimizing the error of prediction. Moreover, some studies have shown that the back propagation algorithm, similar to other gradient–based algorithms, usually gets trapped in local optima and swarm-based algorithms are more successful in this respect. In this study, we train our profit maximization ANN using the Migrating Birds optimization (MBO) which is introduced to literature recently.

Keywords: neural network, profit-based neural network, sum of squared errors (SSE), MBO, gradient descent

Procedia PDF Downloads 475
3502 Modeling and Optimization of Performance of Four Stroke Spark Ignition Injector Engine

Authors: A. A. Okafor, C. H. Achebe, J. L. Chukwuneke, C. G. Ozoegwu

Abstract:

The performance of an engine whose basic design parameters are known can be predicted with the assistance of simulation programs into the less time, cost and near value of actual. This paper presents a comprehensive mathematical model of the performance parameters of four stroke spark ignition engine. The essence of this research work is to develop a mathematical model for the analysis of engine performance parameters of four stroke spark ignition engine before embarking on full scale construction, this will ensure that only optimal parameters are in the design and development of an engine and also allow to check and develop the design of the engine and it’s operation alternatives in an inexpensive way and less time, instead of using experimental method which requires costly research test beds. To achieve this, equations were derived which describe the performance parameters (sfc, thermal efficiency, mep and A/F). The equations were used to simulate and optimize the engine performance of the model for various engine speeds. The optimal values obtained for the developed bivariate mathematical models are: sfc is 0.2833kg/kwh, efficiency is 28.77% and a/f is 20.75.

Keywords: bivariate models, engine performance, injector engine, optimization, performance parameters, simulation, spark ignition

Procedia PDF Downloads 327
3501 Initial Dip: An Early Indicator of Neural Activity in Functional Near Infrared Spectroscopy Waveform

Authors: Mannan Malik Muhammad Naeem, Jeong Myung Yung

Abstract:

Functional near infrared spectroscopy (fNIRS) has a favorable position in non-invasive brain imaging techniques. The concentration change of oxygenated hemoglobin and de-oxygenated hemoglobin during particular cognitive activity is the basis for this neuro-imaging modality. Two wavelengths of near-infrared light can be used with modified Beer-Lambert law to explain the indirect status of neuronal activity inside brain. The temporal resolution of fNIRS is very good for real-time brain computer-interface applications. The portability, low cost and an acceptable temporal resolution of fNIRS put it on a better position in neuro-imaging modalities. In this study, an optimization model for impulse response function has been used to estimate/predict initial dip using fNIRS data. In addition, the activity strength parameter related to motor based cognitive task has been analyzed. We found an initial dip that remains around 200-300 millisecond and better localize neural activity.

Keywords: fNIRS, brain-computer interface, optimization algorithm, adaptive signal processing

Procedia PDF Downloads 226
3500 Improved Predictive Models for the IRMA Network Using Nonlinear Optimisation

Authors: Vishwesh Kulkarni, Nikhil Bellarykar

Abstract:

Cellular complexity stems from the interactions among thousands of different molecular species. Thanks to the emerging fields of systems and synthetic biology, scientists are beginning to unravel these regulatory, signaling, and metabolic interactions and to understand their coordinated action. Reverse engineering of biological networks has has several benefits but a poor quality of data combined with the difficulty in reproducing it limits the applicability of these methods. A few years back, many of the commonly used predictive algorithms were tested on a network constructed in the yeast Saccharomyces cerevisiae (S. cerevisiae) to resolve this issue. The network was a synthetic network of five genes regulating each other for the so-called in vivo reverse-engineering and modeling assessment (IRMA). The network was constructed in S. cereviase since it is a simple and well characterized organism. The synthetic network included a variety of regulatory interactions, thus capturing the behaviour of larger eukaryotic gene networks on a smaller scale. We derive a new set of algorithms by solving a nonlinear optimization problem and show how these algorithms outperform other algorithms on these datasets.

Keywords: synthetic gene network, network identification, optimization, nonlinear modeling

Procedia PDF Downloads 159
3499 The Morphology and Flash Flood Characteristics of the Transboundary Khowai River: A Catchment Scale Analysis

Authors: Jonahid Chakder, Mahfuzul Haque

Abstract:

Flash flood is among the foremost disastrous characteristic hazards which cause hampering within the environment and social orders due to climate change across the world. In Northeastern region of Bangladesh faces severe flash floods regularly, Such, the Khowai river is a flash flood-prone river. But until now, there are no previous studies about the flash flood of this river. Farmlands Building resilience, protection of crops & fish enclosures of wetland in Habiganj Haor areas, regional roads, and business establishments were submerged due to flash floods. The flash floods of the Khowai River are frequent events, which happened in 1988, 1998, 2000, 2007, 2017, and 2019. Therefore, this study tries to analyze Khowai river morphology, Precipitation, Water level, Satellite image, and Catchment characteristics: a catchment scale analysis that helps to comprehend Khowai river flash flood characteristics and factors of influence. From precipitation analysis, the finding outcome disclosed the data about flash flood accurate zones at the Khowai district watershed. The morphological analysis workout from satellite image and find out the consequence of sinuosity and gradient of this river. The sinuosity indicates that the Khowai river is an antecedent and a meandering river and a meandering river can’t influence the flash flood of any region, but other factors respond here. It is understood that the Khowai river catchment elevation analysis from DEM is directly influenced. The left Baramura and Right Atharamura anticline of the Khowai basin watershed reflects a major impact on the stratigraphy as an impermeable clay layer and this consequence the water passes downward with the drainage pattern and Tributary. This drainage system, the gradient of tributary and their runoff, and the confluence of water in the pre-monsoon season rise the Khowai river water level which influences flash floods (within six hours of Precipitation).

Keywords: geology, gradient, tributary, drainage, watershed, flash flood

Procedia PDF Downloads 127
3498 Methodology of Construction Equipment Optimization for Earthwork

Authors: Jaehyun Choi, Hyunjung Kim, Namho Kim

Abstract:

Earthwork is one of the critical civil construction operations that require large-quantities of resources due to its intensive dependency upon construction equipment. Therefore, efficient construction equipment management can highly contribute to productivity improvements and cost savings. Earthwork operation utilizes various combinations of construction equipment in order to meet project requirements such as time and cost. Identification of site condition and construction methods should be performed in advance in order to develop a proper execution plan. The factors to be considered include capacity of equipment assigned, the method of construction, the size of the site, and the surrounding condition. In addition, optimal combination of various construction equipment should be selected. However, in real world practice, equipment utilization plan is performed based on experience and intuition of management. The researchers evaluated the efficiency of various alternatives of construction equipment combinations by utilizing the process simulation model, validated the model from a case study project, and presented a methodology to find optimized plan among alternatives.

Keywords: earthwork operation, construction equipment, process simulation, optimization

Procedia PDF Downloads 429
3497 Adsorption of Cerium as One of the Rare Earth Elements Using Multiwall Carbon Nanotubes from Aqueous Solution: Modeling, Equilibrium and Kinetics

Authors: Saeb Ahmadi, Mohsen Vafaie Sefti, Mohammad Mahdi Shadman, Ebrahim Tangestani

Abstract:

Carbon nanotube has shown great potential for the removal of various inorganic and organic components due to properties such as large surface area and high adsorption capacity. Central composite design is widely used method for determining optimal conditions. Also due to the economic reasons and wide application, the rare earth elements are important components. The analyses of cerium (Ce(III)) adsorption as one of the Rare Earth Elements (REEs) adsorption on Multiwall Carbon Nanotubes (MWCNTs) have been studied. The optimization process was performed using Response Surface Methodology (RSM). The optimum amount conditions were pH of 4.5, initial Ce (III) concentration of 90 mg/l and MWCNTs dosage of 80 mg. Under this condition, the optimum adsorption percentage of Ce (III) was obtained about 96%. Next, at the obtained optimum conditions the kinetic and isotherm studied and result showed the pseudo-second order and Langmuir isotherm are more fitted with experimental data than other models.

Keywords: cerium, rare earth element, MWCNTs, adsorption, optimization

Procedia PDF Downloads 167
3496 Optimization of Temperature for Crystal Violet Dye Adsorption Using Castor Leaf Powder by Response Surface Methodology

Authors: Vipan Kumar Sohpal

Abstract:

Temperature effect on the adsorption of crystal violet dye (CVD) was investigated using a castor leaf powder (CLP) that was prepared from the mature leaves of castor trees, through chemical reaction. The optimum values of pH (8), adsorbent dose (10g/L), initial dye concentration (10g/L), time (2hrs), and stirrer speed (120 rpm) were fixed to investigate the influence of temperature on adsorption capacity, percentage of removal of dye and free energy. A central composite design (CCD) was successfully employed for experimental design and analysis of the results. The combined effect of temperature, absorbance, and concentration on the dye adsorption was studied and optimized using response surface methodology. The optimum values of adsorption capacity, percentage of removal of dye and free energy were found to be 0.965(mg/g), 93.38 %, -8202.7(J/mol) at temperature 55.97 °C having desirability > 90% for removal of crystal violet dye respectively. The experimental values were in good agreement with predicted values.

Keywords: crystal violet dye, CVD, castor leaf powder, CLP, response surface methodology, temperature, optimization

Procedia PDF Downloads 135
3495 Effect of the Polymer Modification on the Cytocompatibility of Human and Rat Cells

Authors: N. Slepickova Kasalkova, P. Slepicka, L. Bacakova, V. Svorcik

Abstract:

Tissue engineering includes combination of materials and techniques used for the improvement, repair or replacement of the tissue. Scaffolds, permanent or temporally material, are used as support for the creation of the "new cell structures". For this important component (scaffold), a variety of materials can be used. The advantage of some polymeric materials is their cytocompatibility and possibility of biodegradation. Poly(L-lactic acid) (PLLA) is a biodegradable,  semi-crystalline thermoplastic polymer. PLLA can be fully degraded into H2O and CO2. In this experiment, the effect of the surface modification of biodegradable polymer (performed by plasma treatment) on the various cell types was studied. The surface parameters and changes of the physicochemical properties of modified PLLA substrates were studied by different methods. Surface wettability was determined by goniometry, surface morphology and roughness study were performed with atomic force microscopy and chemical composition was determined using photoelectron spectroscopy. The physicochemical properties were studied in relation to cytocompatibility of human osteoblast (MG 63 cells), rat vascular smooth muscle cells (VSMC), and human stem cells (ASC) of the adipose tissue in vitro. A fluorescence microscopy was chosen to study and compare cell-material interaction. Important parameters of the cytocompatibility like adhesion, proliferation, viability, shape, spreading of the cells were evaluated. It was found that the modification leads to the change of the surface wettability depending on the time of modification. Short time of exposition (10-120 s) can reduce the wettability of the aged samples, exposition longer than 150 s causes to increase of contact angle of the aged PLLA. The surface morphology is significantly influenced by duration of modification, too. The plasma treatment involves the formation of the crystallites, whose number increases with increasing time of modification. On the basis of physicochemical properties evaluation, the cells were cultivated on the selected samples. Cell-material interactions are strongly affected by material chemical structure and surface morphology. It was proved that the plasma treatment of PLLA has a positive effect on the adhesion, spreading, homogeneity of distribution and viability of all cultivated cells. This effect was even more apparent for the VSMCs and ASCs which homogeneously covered almost the whole surface of the substrate after 7 days of cultivation. The viability of these cells was high (more than 98% for VSMCs, 89-96% for ASCs). This experiment is one part of the basic research, which aims to easily create scaffolds for tissue engineering with subsequent use of stem cells and their subsequent "reorientation" towards the bone cells or smooth muscle cells.

Keywords: poly(L-lactic acid), plasma treatment, surface characterization, cytocompatibility, human osteoblast, rat vascular smooth muscle cells, human stem cells

Procedia PDF Downloads 229
3494 Optimal Scheduling of Trains in Complex National Scale Railway Networks

Authors: Sanat Ramesh, Tarun Dutt, Abhilasha Aswal, Anushka Chandrababu, G. N. Srinivasa Prasanna

Abstract:

Optimal Schedule Generation for a large national railway network operating thousands of passenger trains with tens of thousands of kilometers of track is a grand computational challenge in itself. We present heuristics based on a Mixed Integer Program (MIP) formulation for local optimization. These methods provide flexibility in scheduling new trains with varying speed and delays and improve utilization of infrastructure. We propose methods that provide a robust solution with hundreds of trains being scheduled over a portion of the railway network without significant increases in delay. We also provide techniques to validate the nominal schedules thus generated over global correlated variations in travel times thereby enabling us to detect conflicts arising due to delays. Our validation results which assume only the support of the arrival and departure time distributions takes an order of few minutes for a portion of the network and is computationally efficient to handle the entire network.

Keywords: mixed integer programming, optimization, railway network, train scheduling

Procedia PDF Downloads 159