Search results for: gaussian process
15016 Co-Gasification Process for Green and Blue Hydrogen Production: Innovative Process Development, Economic Analysis, and Exergy Assessment
Authors: Yousaf Ayub
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A co-gasification process, which involves the utilization of both biomass and plastic waste, has been developed to enable the production of blue and green hydrogen. To support this endeavor, an Aspen Plus simulation model has been meticulously created, and sustainability analysis is being conducted, focusing on economic viability, energy efficiency, advanced exergy considerations, and exergoeconomics evaluations. In terms of economic analysis, the process has demonstrated strong economic sustainability, as evidenced by an internal rate of return (IRR) of 8% at a process efficiency level of 70%. At present, the process has the potential to generate approximately 1100 kWh of electric power, with any excess electricity, beyond meeting the process requirements, capable of being harnessed for green hydrogen production via an alkaline electrolysis cell (AEC). This surplus electricity translates to a potential daily hydrogen production of around 200 kg. The exergy analysis of the model highlights that the gasifier component exhibits the lowest exergy efficiency, resulting in the highest energy losses, amounting to approximately 40%. Additionally, advanced exergy analysis findings pinpoint the gasifier as the primary source of exergy destruction, totaling around 9000 kW, with associated exergoeconomics costs amounting to 6500 $/h. Consequently, improving the gasifier's performance is a critical focal point for enhancing the overall sustainability of the process, encompassing energy, exergy, and economic considerations.Keywords: blue hydrogen, green hydrogen, co-gasification, waste valorization, exergy analysis
Procedia PDF Downloads 6515015 Influence of Temperature and Precipitation Changes on Desertification
Authors: Kukuri Tavartkiladze, Nana Bolashvili
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The purpose of this paper was separation and study of the part of structure regime, which directly affects the process of desertification. A simple scheme was prepared for the assessment of desertification process; surface air temperature and precipitation for the years of 1936-2009 were analyzed. The map of distribution of the Desertification Contributing Coefficient in the territory of Georgia was compiled. The simple scheme for identification of the intensity of the desertification contributing process has been developed and the illustrative example of its practical application for the territory of Georgia has been conducted.Keywords: aridity, climate change, desertification, precipitation
Procedia PDF Downloads 33615014 Comparison of Sourcing Process in Supply Chain Operation References Model and Business Information Systems
Authors: Batuhan Kocaoglu
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Although using powerful systems like ERP (Enterprise Resource Planning), companies still cannot benchmark their processes and measure their process performance easily based on predefined SCOR (Supply Chain Operation References) terms. The purpose of this research is to identify common and corresponding processes to present a conceptual model to model and measure the purchasing process of an organization. The main steps for the research study are: Literature review related to 'procure to pay' process in ERP system; Literature review related to 'sourcing' process in SCOR model; To develop a conceptual model integrating 'sourcing' of SCOR model and 'procure to pay' of ERP model. In this study, we examined the similarities and differences between these two models. The proposed framework is based on the assumptions that are drawn from (1) the body of literature, (2) the authors’ experience by working in the field of enterprise and logistics information systems. The modeling framework provides a structured and systematic way to model and decompose necessary information from conceptual representation to process element specification. This conceptual model will help the organizations to make quality purchasing system measurement instruments and tools. And offered adaptation issues for ERP systems and SCOR model will provide a more benchmarkable and worldwide standard business process.Keywords: SCOR, ERP, procure to pay, sourcing, reference model
Procedia PDF Downloads 36215013 A Survey on Intelligent Techniques Based Modelling of Size Enlargement Process for Fine Materials
Authors: Mohammad Nadeem, Haider Banka, R. Venugopal
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Granulation or agglomeration is a size enlargement process to transform the fine particulates into larger aggregates since the fine size of available materials and minerals poses difficulty in their utilization. Though a long list of methods is available in the literature for the modeling of granulation process to facilitate the in-depth understanding and interpretation of the system, there is still scope of improvements using novel tools and techniques. Intelligent techniques, such as artificial neural network, fuzzy logic, self-organizing map, support vector machine and others, have emerged as compelling alternatives for dealing with imprecision and complex non-linearity of the systems. The present study tries to review the applications of intelligent techniques in the modeling of size enlargement process for fine materials.Keywords: fine material, granulation, intelligent technique, modelling
Procedia PDF Downloads 37415012 Full-Scale 3D Simulation of the Electroslag Rapid Remelting Process
Authors: E. Karimi-Sibaki, A. Kharicha, M. Wu, A. Ludwig
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The standard electroslag remelting (ESR) process can ideally control the solidification of an ingot and produce homogeneous structure with minimum defects. However, the melt rate of electrode is rather low that makes the whole process uneconomical especially to produce small ingot sizes. In contrast, continuous casting is an economical process to produce small ingots such as billets at high casting speed. Unfortunately, deep liquid melt pool forms in the billet ingot of continuous casting that leads to center porosity and segregation. As such, continuous casting is not suitable to produce segregation prone alloys like tool steel or several super alloys. On the other hand, the electro slag rapid remelting (ESRR) process has advantages of both traditional ESR and continuous casting processes to produce billets. In the ESRR process, a T-shaped mold is used including a graphite ring that takes major amount of current through the mold. There are only a few reports available in the literature discussing about this topic. The research on the ESRR process is currently ongoing aiming to improve the design of the T-shaped mold, to decrease overall heat loss in the process, and to obtain a higher temperature at metal meniscus. In the present study, a 3D model is proposed to investigate the electromagnetic, thermal, and flow fields in the whole process as well as solidification of the billet ingot. We performed a fully coupled numerical simulation to explore the influence of the electromagnetically driven flow (MHD) on the thermal field in the slag and ingot. The main goal is to obtain some fundamental understanding of the formation of melt pool of the solidifying billet ingot in the ESRR process.Keywords: billet ingot, magnetohydrodynamics (mhd), numerical simulation, remelting, solidification, t-shaped mold.
Procedia PDF Downloads 29415011 Lead-Time Estimation Approach Using the Process Capability Index
Authors: Abdel-Aziz M. Mohamed
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This research proposes a methodology to estimate the customer order lead time in the supply chain based on the process capability index. The cases when the process output is normally distributed and when it is not are considered. The relationships between the system capability indices in both service and manufacturing applications, delivery system reliability and the percentages of orders delivered after their promised due dates are presented. The proposed method can be used to examine the current process capability to deliver the orders before the promised lead-time. If the system was found to be incapable, the method can be used to help revise the current lead-time to a proper value according to the service reliability level selected by the management. Numerical examples and a case study describing the lead time estimation methodology and testing the system capability of delivering the orders before their promised due date are illustrated.Keywords: lead-time estimation, process capability index, delivery system reliability, statistical analysis, service achievement index, service quality
Procedia PDF Downloads 55615010 Modelling the Dynamics of Corporate Bonds Spreads with Asymmetric GARCH Models
Authors: Sélima Baccar, Ephraim Clark
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This paper can be considered as a new perspective to analyse credit spreads. A comprehensive empirical analysis of conditional variance of credit spreads indices is performed using various GARCH models. Based on a comparison between traditional and asymmetric GARCH models with alternative functional forms of the conditional density, we intend to identify what macroeconomic and financial factors have driven daily changes in the US Dollar credit spreads in the period from January 2011 through January 2013. The results provide a strong interdependence between credit spreads and the explanatory factors related to the conditions of interest rates, the state of the stock market, the bond market liquidity and the exchange risk. The empirical findings support the use of asymmetric GARCH models. The AGARCH and GJR models outperform the traditional GARCH in credit spreads modelling. We show, also, that the leptokurtic Student-t assumption is better than the Gaussian distribution and improves the quality of the estimates, whatever the rating or maturity.Keywords: corporate bonds, default risk, credit spreads, asymmetric garch models, student-t distribution
Procedia PDF Downloads 47315009 Characterizing Nanoparticles Generated from the Different Working Type and the Stack Flue during 3D Printing Process
Authors: Kai-Jui Kou, Tzu-Ling Shen, Ying-Fang Wang
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The objectives of the present study are to characterize nanoparticles generated from the different working type in 3D printing room and the stack flue during 3D printing process. The studied laboratory (10.5 m× 7.2 m × 3.2 m) with a ventilation rate of 500 m³/H is installed a 3D metal printing machine. Direct-reading instrument of a scanning mobility particle sizer (SMPS, Model 3082, TSI Inc., St. Paul, MN, USA) was used to conduct static sampling for nanoparticle number concentration and particle size distribution measurements. The SMPS obtained particle number concentration at every 3 minutes, the diameter of the SMPS ranged from 11~372 nm when the aerosol and sheath flow rates were set at 0.6 and 6 L/min, respectively. The concentrations of background, printing process, clearing operation, and screening operation were performed in the laboratory. On the other hand, we also conducted nanoparticle measurement on the 3D printing machine's stack flue to understand its emission characteristics. Results show that the nanoparticles emitted from the different operation process were the same distribution in the form of the uni-modal with number median diameter (NMD) as approximately 28.3 nm to 29.6 nm. The number concentrations of nanoparticles were 2.55×10³ count/cm³ in laboratory background, 2.19×10³ count/cm³ during printing process, 2.29×10³ count/cm³ during clearing process, 3.05×10³ count/cm³ during screening process, 2.69×10³ count/cm³ in laboratory background after printing process, and 6.75×10³ outside laboratory, respectively. We found that there are no emission nanoparticles during the printing process. However, the number concentration of stack flue nanoparticles in the ongoing print is 1.13×10⁶ count/cm³, and that of the non-printing is 1.63×10⁴ count/cm³, with a NMD of 458 nm and 29.4 nm, respectively. It can be confirmed that the measured particle size belongs to easily penetrate the filter in theory during the printing process, even though the 3D printer has a high-efficiency filtration device. Therefore, it is recommended that the stack flue of the 3D printer would be equipped with an appropriate dust collection device to prevent the operators from exposing these hazardous particles.Keywords: nanoparticle, particle emission, 3D printing, number concentration
Procedia PDF Downloads 18115008 A Pedagogical Study of Computational Design in a Simulated Building Information Modeling-Cloud Environment
Authors: Jaehwan Jung, Sung-Ah Kim
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Building Information Modeling (BIM) provides project stakeholders with various information about property and geometry of entire component as a 3D object-based parametric building model. BIM represents a set of Information and solutions that are expected to improve collaborative work process and quality of the building design. To improve collaboration among project participants, the BIM model should provide the necessary information to remote participants in real time and manage the information in the process. The purpose of this paper is to propose a process model that can apply effective architectural design collaborative work process in architectural design education in BIM-Cloud environment.Keywords: BIM, cloud computing, collaborative design, digital design education
Procedia PDF Downloads 43315007 The Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability Hyperpolarizability, and Homo–Lumo Analysis of Monomeric and Dimeric Structures of 2-Chloro-N-(2 Methylphenyl) Benzamide
Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui
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The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.Keywords: DFT, HOMO, LUMO, NLO
Procedia PDF Downloads 33915006 Using High Performance Computing for Online Flood Monitoring and Prediction
Authors: Stepan Kuchar, Martin Golasowski, Radim Vavrik, Michal Podhoranyi, Boris Sir, Jan Martinovic
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The main goal of this article is to describe the online flood monitoring and prediction system Floreon+ primarily developed for the Moravian-Silesian region in the Czech Republic and the basic process it uses for running automatic rainfall-runoff and hydrodynamic simulations along with their calibration and uncertainty modeling. It takes a long time to execute such process sequentially, which is not acceptable in the online scenario, so the use of high-performance computing environment is proposed for all parts of the process to shorten their duration. Finally, a case study on the Ostravice river catchment is presented that shows actual durations and their gain from the parallel implementation.Keywords: flood prediction process, high performance computing, online flood prediction system, parallelization
Procedia PDF Downloads 49215005 Cold Spray Coating and Its Application for High Temperature
Authors: T. S. Sidhu
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Amongst the existing coatings methods, the cold spray is new upcoming process to deposit coatings. As from the name itself, the cold spray coating takes place at very low temperature as compare to other thermal spray coatings. In all other thermal spray coating process the partial melting of the coating powder particles takes place before deposition, but cold spray process takes place in solid state. In cold spray process, the bonding of coating power with substrate is not metallurgical as in other thermal spray processes. Due to supersonic speed and less temperature of spray particles, solid state, dense, and oxide free coatings are produced. Due to these characteristics, the cold spray coatings have been used to protect the materials against hot corrosion. In the present study, the cold spray process, cold spray fundaments, its types, and its applications for high temperatures are discussed in the light of presently available literature. In addition, the assessment of cold spray with the competitive technologies has been conferred with available literature.Keywords: cold spray coating, hot corrosion, thermal spray coating, high-temperature materials
Procedia PDF Downloads 24315004 A Comparative Assessment of Information Value, Fuzzy Expert System Models for Landslide Susceptibility Mapping of Dharamshala and Surrounding, Himachal Pradesh, India
Authors: Kumari Sweta, Ajanta Goswami, Abhilasha Dixit
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Landslide is a geomorphic process that plays an essential role in the evolution of the hill-slope and long-term landscape evolution. But its abrupt nature and the associated catastrophic forces of the process can have undesirable socio-economic impacts, like substantial economic losses, fatalities, ecosystem, geomorphologic and infrastructure disturbances. The estimated fatality rate is approximately 1person /100 sq. Km and the average economic loss is more than 550 crores/year in the Himalayan belt due to landslides. This study presents a comparative performance of a statistical bivariate method and a machine learning technique for landslide susceptibility mapping in and around Dharamshala, Himachal Pradesh. The final produced landslide susceptibility maps (LSMs) with better accuracy could be used for land-use planning to prevent future losses. Dharamshala, a part of North-western Himalaya, is one of the fastest-growing tourism hubs with a total population of 30,764 according to the 2011 census and is amongst one of the hundred Indian cities to be developed as a smart city under PM’s Smart Cities Mission. A total of 209 landslide locations were identified in using high-resolution linear imaging self-scanning (LISS IV) data. The thematic maps of parameters influencing landslide occurrence were generated using remote sensing and other ancillary data in the GIS environment. The landslide causative parameters used in the study are slope angle, slope aspect, elevation, curvature, topographic wetness index, relative relief, distance from lineaments, land use land cover, and geology. LSMs were prepared using information value (Info Val), and Fuzzy Expert System (FES) models. Info Val is a statistical bivariate method, in which information values were calculated as the ratio of the landslide pixels per factor class (Si/Ni) to the total landslide pixel per parameter (S/N). Using this information values all parameters were reclassified and then summed in GIS to obtain the landslide susceptibility index (LSI) map. The FES method is a machine learning technique based on ‘mean and neighbour’ strategy for the construction of fuzzifier (input) and defuzzifier (output) membership function (MF) structure, and the FR method is used for formulating if-then rules. Two types of membership structures were utilized for membership function Bell-Gaussian (BG) and Trapezoidal-Triangular (TT). LSI for BG and TT were obtained applying membership function and if-then rules in MATLAB. The final LSMs were spatially and statistically validated. The validation results showed that in terms of accuracy, Info Val (83.4%) is better than BG (83.0%) and TT (82.6%), whereas, in terms of spatial distribution, BG is best. Hence, considering both statistical and spatial accuracy, BG is the most accurate one.Keywords: bivariate statistical techniques, BG and TT membership structure, fuzzy expert system, information value method, machine learning technique
Procedia PDF Downloads 12715003 A Systamatic Review on Experimental, FEM Analysis and Simulation of Metal Spinning Process
Authors: Amol M. Jadhav, Sharad S. Chudhari, S. S. Khedkar
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This review presents a through survey of research paper work on the experimental analysis, FEM Analysis & simulation of the metal spinning process. In this literature survey all the papers being taken from Elsevier publication and most of the from journal of material processing technology. In a last two decade or so, metal spinning process gradually used as chip less formation for the production of engineering component in a small to medium batch quantities. The review aims to provide include into the experimentation, FEM analysis of various components, simulation of metal spinning process and act as guide for research working on metal spinning processes. The review of existing work has several gaps in current knowledge of metal spinning processes. The evaluation of experiment is thickness strain, the spinning force, the twisting angle, the surface roughness of the conventional & shear metal spinning process; the evaluation of FEM of metal spinning to path definition with sufficient fine mesh to capture behavior of work piece; The evaluation of feed rate of roller, direction of roller,& type of roller stimulated. The metal spinning process has the more flexible to produce a wider range of product shape & to form more challenge material.Keywords: metal spinning, FEM analysis, simulation of metal spinning, mechanical engineering
Procedia PDF Downloads 38715002 The Simulation and Experimental Investigation to Study the Strain Distribution Pattern during the Closed Die Forging Process
Authors: D. B. Gohil
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Closed die forging is a very complex process, and measurement of actual forces for real material is difficult and time consuming. Hence, the modelling technique has taken the advantage of carrying out the experimentation with the proper model material which needs lesser forces and relatively low temperature. The results of experiments on the model material then may be correlated with the actual material by using the theory of similarity. There are several methods available to resolve the complexity involved in the closed die forging process. Finite Element Method (FEM) and Finite Difference Method (FDM) are relatively difficult as compared to the slab method. The slab method is very popular and very widely used by the people working on shop floor because it is relatively easy to apply and reasonably accurate for most of the common forging load requirement computations.Keywords: experimentation, forging, process modeling, strain distribution
Procedia PDF Downloads 20015001 Machine Learning Driven Analysis of Kepler Objects of Interest to Identify Exoplanets
Authors: Akshat Kumar, Vidushi
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This paper identifies 27 KOIs, 26 of which are currently classified as candidates and one as false positives that have a high probability of being confirmed. For this purpose, 11 machine learning algorithms were implemented on the cumulative kepler dataset sourced from the NASA exoplanet archive; it was observed that the best-performing model was HistGradientBoosting and XGBoost with a test accuracy of 93.5%, and the lowest-performing model was Gaussian NB with a test accuracy of 54%, to test model performance F1, cross-validation score and RUC curve was calculated. Based on the learned models, the significant characteristics for confirm exoplanets were identified, putting emphasis on the object’s transit and stellar properties; these characteristics were namely koi_count, koi_prad, koi_period, koi_dor, koi_ror, and koi_smass, which were later considered to filter out the potential KOIs. The paper also calculates the Earth similarity index based on the planetary radius and equilibrium temperature for each KOI identified to aid in their classification.Keywords: Kepler objects of interest, exoplanets, space exploration, machine learning, earth similarity index, transit photometry
Procedia PDF Downloads 7515000 Ship Detection Requirements Analysis for Different Sea States: Validation on Real SAR Data
Authors: Jaime Martín-de-Nicolás, David Mata-Moya, Nerea del-Rey-Maestre, Pedro Gómez-del-Hoyo, María-Pilar Jarabo-Amores
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Ship detection is nowadays quite an important issue in tasks related to sea traffic control, fishery management and ship search and rescue. Although it has traditionally been carried out by patrol ships or aircrafts, coverage and weather conditions and sea state can become a problem. Synthetic aperture radars can surpass these coverage limitations and work under any climatological condition. A fast CFAR ship detector based on a robust statistical modeling of sea clutter with respect to sea states in SAR images is used. In this paper, the minimum SNR required to obtain a given detection probability with a given false alarm rate for any sea state is determined. A Gaussian target model using real SAR data is considered. Results show that SNR does not depend heavily on the class considered. Provided there is some variation in the backscattering of targets in SAR imagery, the detection probability is limited and a post-processing stage based on morphology would be suitable.Keywords: SAR, generalized gamma distribution, detection curves, radar detection
Procedia PDF Downloads 45214999 Recognition of Voice Commands of Mentor Robot in Noisy Environment Using Hidden Markov Model
Authors: Khenfer Koummich Fatma, Hendel Fatiha, Mesbahi Larbi
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This paper presents an approach based on Hidden Markov Models (HMM: Hidden Markov Model) using HTK tools. The goal is to create a human-machine interface with a voice recognition system that allows the operator to teleoperate a mentor robot to execute specific tasks as rotate, raise, close, etc. This system should take into account different levels of environmental noise. This approach has been applied to isolated words representing the robot commands pronounced in two languages: French and Arabic. The obtained recognition rate is the same in both speeches, Arabic and French in the neutral words. However, there is a slight difference in favor of the Arabic speech when Gaussian white noise is added with a Signal to Noise Ratio (SNR) equals 30 dB, in this case; the Arabic speech recognition rate is 69%, and the French speech recognition rate is 80%. This can be explained by the ability of phonetic context of each speech when the noise is added.Keywords: Arabic speech recognition, Hidden Markov Model (HMM), HTK, noise, TIMIT, voice command
Procedia PDF Downloads 38514998 Spaces of Interpretation: Personal Space
Authors: Yehuda Roth
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In quantum theory, a system’s time evolution is predictable unless an observer performs measurement, as the measurement process can randomize the system. This randomness appears when the measuring device does not accurately describe the measured item, i.e., when the states characterizing the measuring device appear as a superposition of those being measured. When such a mismatch occurs, the measured data randomly collapse into a single eigenstate of the measuring device. This scenario resembles the interpretation process in which the observer does not experience an objective reality but interprets it based on preliminary descriptions initially ingrained into his/her mind. This distinction is the motivation for the present study in which the collapse scenario is regarded as part of the interpretation process of the observer. By adopting the formalism of the quantum theory, we present a complete mathematical approach that describes the interpretation process. We demonstrate this process by applying the proposed interpretation formalism to the ambiguous image "My wife and mother-in-law" to identify whether a woman in the picture is young or old.Keywords: quantum-like interpretation, ambiguous image, determination, quantum-like collapse, classified representation
Procedia PDF Downloads 10414997 Process Modified Geopolymer Concrete: A Sustainable Material for Green Construction Technology
Authors: Dibyendu Adak, Saroj Mandal
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The fly ash based geopolymer concrete generally requires heat activation after casting, which has been considered as an important limitation for its practical application. Such limitation can be overcome by a modification in the process at the time of mixing of ingredients (fly and activator fluid) for geopolymer concrete so that curing can be made at ambient temperature. This process modified geopolymer concrete shows an appreciable improvement in structural performance compared to conventional heat cured geopolymer concrete and control cement concrete. The improved durability performance based on water absorption, sulphate test, and RCPT is also noted. The microstructural properties analyzed through Field Emission Scanning Electron Microscope (FESEM) with Energy Dispersive X-ray Spectroscopy (EDS) and X-ray Diffraction (XRD) techniques show the better interaction of fly ash and activator solution at early ages for the process modified geopolymer concrete. This accelerates the transformation of the amorphous phase of fly ash to the crystalline phase.Keywords: fly ash, geopolymer concrete, process modification, structural properties, durability, micro-structures
Procedia PDF Downloads 16314996 Geometric, Energetic and Topological Analysis of (Ethanol)₉-Water Heterodecamers
Authors: Jennifer Cuellar, Angie L. Parada, Kevin N. S. Chacon, Sol M. Mejia
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The purification of bio-ethanol through distillation methods is an unresolved issue at the biofuel industry because of the ethanol-water azeotrope formation, which increases the steps of the purification process and subsequently increases the production costs. Therefore, understanding the mixture nature at the molecular level could provide new insights for improving the current methods and/or designing new and more efficient purification methods. For that reason, the present study focuses on the evaluation and analysis of (ethanol)₉-water heterodecamers, as the systems with the minimum molecular proportion that represents the azeotropic concentration (96 %m/m in ethanol). The computational modelling was carried out with B3LYP-D3/6-311++G(d,p) in Gaussian 09. Initial explorations of the potential energy surface were done through two methods: annealing simulated runs and molecular dynamics trajectories besides intuitive structures obtained from smaller (ethanol)n-water heteroclusters, n = 7, 8 and 9. The energetic order of the seven stable heterodecamers determines the most stable heterodecamer (Hdec-1) as a structure forming a bicyclic geometry with the O-H---O hydrogen bonds (HBs) where the water is a double proton donor molecule. Hdec-1 combines 1 water molecule and the same quantity of every ethanol conformer; this is, 3 trans, 3 gauche 1 and 3 gauche 2; its abundance is 89%, its decamerization energy is -80.4 kcal/mol, i.e. 13 kcal/mol most stable than the less stable heterodecamer. Besides, a way to understand why methanol does not form an azeotropic mixture with water, analogous systems ((ethanol)10, (methanol)10, and (methanol)9-water)) were optimized. Topologic analysis of the electron density reveals that Hec-1 forms 33 weak interactions in total: 11 O-H---O, 8 C-H---O, 2 C-H---C hydrogen bonds and 12 H---H interactions. The strength and abundance of the most unconventional interactions (H---H, C-H---O and C-H---O) seem to explain the preference of the ethanol for forming heteroclusters instead of clusters. Besides, O-H---O HBs present a significant covalent character according to topologic parameters as the Laplacian of electron density and the relationship between potential and kinetic energy densities evaluated at the bond critical points; obtaining negatives values and values between 1 and 2, for those two topological parameters, respectively.Keywords: ADMP, DFT, ethanol-water azeotrope, Grimme dispersion correction, simulated annealing, weak interactions
Procedia PDF Downloads 10314995 Coordination Behavior, Theoretical Studies, and Biological Activity of Some Transition Metal Complexes with Oxime Ligands
Authors: Noura Kichou, Manel Tafergguenit, Nabila Ghechtouli, Zakia Hank
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The aim of this work is to synthesize, characterize and evaluate the biological activity of two Ligands : glyoxime and dimethylglyoxime, and their metal Ni(II) chelates. The newly chelates were characterized by elemental analysis, IR, EPR, nuclear magnetic resonances (1H and 13C), and biological activity. The antibacterial and antifungal activities of the ligands and its metal complexes were screened against bacterial species (Staphylococcus aureus, Bacillus subtilis, and Escherichia coli) and fungi (Candida albicans). Ampicillin and amphotericin were used as references for antibacterial and antifungal studies. The activity data show that the metal complexes have a promising biological activity comparable with parent free ligand against bacterial and fungal species. A structural, energetic, and electronic theoretical study was carried out using the DFT method, with the functional B3LYP and the gaussian program 09. A complete optimization of geometries was made, followed by a calculation of the frequencies of the normal modes of vibration. The UV spectrum was also interpreted. The theoretical results were compared with the experimental data.Keywords: glyoxime, dimetylglyoxime, nickel, antibacterial activity
Procedia PDF Downloads 10714994 Coordination Behavior, Theoretical studies and Biological Activity of Some Transition Metal Complexes with Oxime Ligands
Authors: Noura Kichou, Manel Tafergguenit, Nabila Ghechtouli, Zakia Hank
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The aim of this work is to synthesize, characterize and evaluate the biological activity of two Ligands: glyoxime and dimethylglyoxime, and their metal Ni(II) chelates. The newly chelates were characterized by elemental analysis, IR, EPR, nuclear magnetic resonances (1H and 13C), and biological activity. The antibacterial and antifungal activities of the ligands and its metal complexes were screened against bacterial species (Staphylococcus aureus, Bacillus subtilis, and Escherichia coli) and fungi (Candida albicans). Ampicillin and amphotericin were used as references for antibacterial and antifungal studies. The activity data show that the metal complexes have a promising biological activity comparable with parent free ligand against bacterial and fungal species. A structural, energetic, and electronic theoretical study was carried out using the DFT method, with the functional B3LYP and the gaussian program 09. A complete optimization of geometries was made, followed by a calculation of the frequencies of the normal modes of vibration. The UV spectrum was also interpreted. The theoretical results were compared with the experimental data.Keywords: glyoxime, dimetylglyoxime, nickel, antibacterial activity
Procedia PDF Downloads 11214993 Optimization of Machining Parametric Study on Electrical Discharge Machining
Authors: Rakesh Prajapati, Purvik Patel, Hardik Patel
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Productivity and quality are two important aspects that have become great concerns in today’s competitive global market. Every production/manufacturing unit mainly focuses on these areas in relation to the process, as well as the product developed. The electrical discharge machining (EDM) process, even now it is an experience process, wherein the selected parameters are still often far from the maximum, and at the same time selecting optimization parameters is costly and time consuming. Material Removal Rate (MRR) during the process has been considered as a productivity estimate with the aim to maximize it, with an intention of minimizing surface roughness taken as most important output parameter. These two opposites in nature requirements have been simultaneously satisfied by selecting an optimal process environment (optimal parameter setting). Objective function is obtained by Regression Analysis and Analysis of Variance. Then objective function is optimized using Genetic Algorithm technique. The model is shown to be effective; MRR and Surface Roughness improved using optimized machining parameters.Keywords: MMR, TWR, OC, DOE, ANOVA, minitab
Procedia PDF Downloads 32514992 Low Sulfur Diesel-Like Fuel From Quick Remediation Process of Waste Oil Sludge
Authors: Isam A. H. Al Zubaidy
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A quick process may be needed to get the benefit the big generated quantity of waste oil sludge (WOS). The process includes the mixing process of WOS with commercial diesel fuel. Different ratios of WOS to diesel fuel were prepared ranging 1:1 to 20:1 by mass. The mixture was continuously mixing for 10 minutes using bench type overhead stirrer and followed by filtration process to separate the soil waste from filtrate oil product. The quantity and the physical properties of the oil filtrate were measured. It was found that the addition of up to 15% WOS to diesel fuel was accepted without dramatic changes to the properties of diesel fuel. The amount of waste oil sludge was decreased by about 60% by mass. This means that about 60 % of the mass of sludge was recovered as light fuel oil. The physical properties of the resulting fuel from 10% sludge mixing ratio showed that the specific gravity, ash content, carbon residue, asphaltene content, viscosity, diesel index, cetane number, and calorific value were affected slightly. The color was changed to light black color. The sulfur content was increased also. This requires other processes to reduce the sulfur content of the resulting light fuel. A new desulfurization process was achieved using adsorption techniques with activated biomaterial to reduce the sulfur content to acceptable limits. Adsorption process by ZnCl₂ activated date palm kernel powder was effective for improvement of the physical properties of diesel like fuel. The final sulfur content was increased to 0.185 wt%. This diesel like fuel can be used in all tractors, buses, tracks inside and outside the refineries. The solid remaining seems to be smooth and can be mixed with asphalt mixture for asphalting the roads or can be used with other materials as an asphalt coating material for constructed buildings. Through this process, valuable fuel has been recovered, and the amount of waste material had decreased.Keywords: oil sludge, diesel fuel, blending process, filtration process
Procedia PDF Downloads 11814991 Numerical Design and Characterization of SiC Single Crystals Obtained with PVT Method
Authors: T. Wejrzanowski, M. Grybczuk, E. Tymicki, K. J. Kurzydlowski
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In the present study, numerical simulations of heat and mass transfer in Physical Vapor Transport reactor during silicon carbide single crystal growth are addressed. Silicon carbide is a wide bandgap material with unique properties making it highly applicable for high power electronics applications. Because of high manufacturing costs improvements of SiC production process are required. In this study, numerical simulations were used as a tool of process optimization. Computer modeling allows for cost and time effective analysis of processes occurring during SiC single crystal growth and provides essential information needed for improvement of the process. Quantitative relationship between process conditions, such as temperature or pressure, and crystal growth rate and shape of crystallization front have been studied and verified using experimental data. Basing on modeling results, several process improvements were proposed and implemented.Keywords: Finite Volume Method, semiconductors, Physica Vapor Transport, silicon carbide
Procedia PDF Downloads 49814990 Modeling of Coagulation Process for the Removal of Carbofuran in Aqueous Solution
Authors: Roli Saini, Pradeep Kumar
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A coagulation/flocculation process was adopted for the reduction of carbamate insecticide (carbofuran) from aqueous solution. Ferric chloride (FeCl3) was used as a coagulant to treat the carbofuran. To exploit the reduction efficiency of pesticide concentration and COD, the jar-test experiments were carried out and process was optimized through response surface methodology (RSM). The effects of two independent factors; i.e., FeCl3 dosage and pH on the reduction efficiency were estimated by using central composite design (CCD). The initial COD of the 30 mg/L concentrated solution was found to be 510 mg/L. Results exposed that the maximum reduction occurred at an optimal condition of FeCl3 = 80 mg/L, and pH = 5.0, from which the reduction of concentration and COD 75.13% and 65.34%, respectively. The present study also predicted that the obtained regression equations could be helpful as the theoretical basis for the coagulation process of pesticide wastewater.Keywords: carbofuran, coagulation, optimization, response surface methodology
Procedia PDF Downloads 32414989 A Simulation Study for Potential Natural Gas Liquids Recovery Processes under Various Upstream Conditions
Authors: Mesfin Getu Woldetensay
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Representatives and commercially viable natural gas liquids (NGLs) recovery processes were studied under various feed conditions that are classified as lean and rich. The conventional turbo- expander process scheme (ISS) was taken as a base case. The performance of this scheme was compared against with the gas sub-cooled process (GSP), cold residue-gas (CRR) and recycle split-vapor (RSV), enhanced NGL recovery process (IPSI-1) and enhanced NGL recovery process with internal refrigeration (IPSI-2). The development made for the GSP, CRR and RSV are at the top section of the demethanizer column whereas the IPSI-1 and IPSI-2 improvement focus in the lower section. HYSYS process flowsheet was initially developed for all the processes including the ISS under a common criteria that could help to demonstrate the performance comparison. Accordingly, a number of simulation runs were made for the selected eight types of feed. Results show that the reboiler duty requirement using rich feeds for GSP, CRR and RSV is quite high compared to IPSI-1 and IPSI-2. The latter shows relatively lower duty due to the presence of self-refrigeration system that allows the inlet feed to be used for achieving cooling without the need to use propane refrigerant. The energy consumption for lean feed is much lower than that of the rich feed in all process schemes.Keywords: composition, lean, rich, duty
Procedia PDF Downloads 21714988 Methods of Improving Production Processes Based on Deming Cycle
Authors: Daniel Tochwin
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Continuous improvement is an essential part of effective process performance management. In order to achieve continuous quality improvement, each organization must use the appropriate selection of tools and techniques. The basic condition for success is a proper understanding of the business need faced by the company and the selection of appropriate methods to improve a given production process. The main aim of this article is to analyze the methods of conduct which are popular in practice when implementing process improvements and then to determine whether the tested methods include repetitive systematics of the approach, i.e., a similar sequence of the same or similar actions. Based on an extensive literature review, 4 methods of continuous improvement of production processes were selected: A3 report, Gemba Kaizen, PDCA cycle, and Deming cycle. The research shows that all frequently used improvement methods are generally based on the PDCA cycle, and the differences are due to "(re)interpretation" and the need to adapt the continuous improvement approach to the specific business process. The research shows that all the frequently used improvement methods are generally based on the PDCA cycle, and the differences are due to "(re) interpretation" and the need to adapt the continuous improvement approach to the specific business process.Keywords: continuous improvement, lean methods, process improvement, PDCA
Procedia PDF Downloads 8014987 A Schema of Building an Efficient Quality Gate throughout the Software Development with Tools
Authors: Le Chen
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This paper presents an efficient tool platform scheme to ensure quality protection throughout the software development process. The main principle is to manage the information of requirements, design, development, testing, operation and maintenance process with proper tools, and to set up the quality standards of each process. Through the tools’ display and summary of quality standards, the quality standards can be visualizad and ready for policy decision, which is called Quality Gate in this paper. In addition, the tools are also integrated to achieve the exchange and relation of information which highly improving operational efficiency. In this paper, the feasibility of the scheme is verified by practical application of development projects, and the overall information display and data mining are proposed to be further improved.Keywords: efficiency, quality gate, software process, tools
Procedia PDF Downloads 358