Search results for: endothermic reactions modeling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4987

Search results for: endothermic reactions modeling

3967 Improvement of Central Composite Design in Modeling and Optimization of Simulation Experiments

Authors: A. Nuchitprasittichai, N. Lerdritsirikoon, T. Khamsing

Abstract:

Simulation modeling can be used to solve real world problems. It provides an understanding of a complex system. To develop a simplified model of process simulation, a suitable experimental design is required to be able to capture surface characteristics. This paper presents the experimental design and algorithm used to model the process simulation for optimization problem. The CO2 liquefaction based on external refrigeration with two refrigeration circuits was used as a simulation case study. Latin Hypercube Sampling (LHS) was purposed to combine with existing Central Composite Design (CCD) samples to improve the performance of CCD in generating the second order model of the system. The second order model was then used as the objective function of the optimization problem. The results showed that adding LHS samples to CCD samples can help capture surface curvature characteristics. Suitable number of LHS sample points should be considered in order to get an accurate nonlinear model with minimum number of simulation experiments.

Keywords: central composite design, CO2 liquefaction, latin hypercube sampling, simulation-based optimization

Procedia PDF Downloads 166
3966 Heat Transfer Modeling of 'Carabao' Mango (Mangifera indica L.) during Postharvest Hot Water Treatments

Authors: Hazel James P. Agngarayngay, Arnold R. Elepaño

Abstract:

Mango is the third most important export fruit in the Philippines. Despite the expanding mango trade in world market, problems on postharvest losses caused by pests and diseases are still prevalent. Many disease control and pest disinfestation methods have been studied and adopted. Heat treatment is necessary to eliminate pests and diseases to be able to pass the quarantine requirements of importing countries. During heat treatments, temperature and time are critical because fruits can easily be damaged by over-exposure to heat. Modeling the process enables researchers and engineers to study the behaviour of temperature distribution within the fruit over time. Understanding physical processes through modeling and simulation also saves time and resources because of reduced experimentation. This research aimed to simulate the heat transfer mechanism and predict the temperature distribution in ‘Carabao' mangoes during hot water treatment (HWT) and extended hot water treatment (EHWT). The simulation was performed in ANSYS CFD Software, using ANSYS CFX Solver. The simulation process involved model creation, mesh generation, defining the physics of the model, solving the problem, and visualizing the results. Boundary conditions consisted of the convective heat transfer coefficient and a constant free stream temperature. The three-dimensional energy equation for transient conditions was numerically solved to obtain heat flux and transient temperature values. The solver utilized finite volume method of discretization. To validate the simulation, actual data were obtained through experiment. The goodness of fit was evaluated using mean temperature difference (MTD). Also, t-test was used to detect significant differences between the data sets. Results showed that the simulations were able to estimate temperatures accurately with MTD of 0.50 and 0.69 °C for the HWT and EHWT, respectively. This indicates good agreement between the simulated and actual temperature values. The data included in the analysis were taken at different locations of probe punctures within the fruit. Moreover, t-tests showed no significant differences between the two data sets. Maximum heat fluxes obtained at the beginning of the treatments were 394.15 and 262.77 J.s-1 for HWT and EHWT, respectively. These values decreased abruptly at the first 10 seconds and gradual decrease was observed thereafter. Data on heat flux is necessary in the design of heaters. If underestimated, the heating component of a certain machine will not be able to provide enough heat required by certain operations. Otherwise, over-estimation will result in wasting of energy and resources. This study demonstrated that the simulation was able to estimate temperatures accurately. Thus, it can be used to evaluate the influence of various treatment conditions on the temperature-time history in mangoes. When combined with information on insect mortality and quality degradation kinetics, it could predict the efficacy of a particular treatment and guide appropriate selection of treatment conditions. The effect of various parameters on heat transfer rates, such as the boundary and initial conditions as well as the thermal properties of the material, can be systematically studied without performing experiments. Furthermore, the use of ANSYS software in modeling and simulation can be explored in modeling various systems and processes.

Keywords: heat transfer, heat treatment, mango, modeling and simulation

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3965 A Comparative Analysis of Geometric and Exponential Laws in Modelling the Distribution of the Duration of Daily Precipitation

Authors: Mounia El Hafyani, Khalid El Himdi

Abstract:

Precipitation is one of the key variables in water resource planning. The importance of modeling wet and dry durations is a crucial pointer in engineering hydrology. The objective of this study is to model and analyze the distribution of wet and dry durations. For this purpose, the daily rainfall data from 1967 to 2017 of the Moroccan city of Kenitra’s station are used. Three models are implemented for the distribution of wet and dry durations, namely the first-order Markov chain, the second-order Markov chain, and the truncated negative binomial law. The adherence of the data to the proposed models is evaluated using Chi-square and Kolmogorov-Smirnov tests. The Akaike information criterion is applied to assess the most effective model distribution. We go further and study the law of the number of wet and dry days among k consecutive days. The calculation of this law is done through an algorithm that we have implemented based on conditional laws. We complete our work by comparing the observed moments of the numbers of wet/dry days among k consecutive days to the calculated moment of the three estimated models. The study shows the effectiveness of our approach in modeling wet and dry durations of daily precipitation.

Keywords: Markov chain, rainfall, truncated negative binomial law, wet and dry durations

Procedia PDF Downloads 125
3964 Clusterization Probability in 14N Nuclei

Authors: N. Burtebayev, Sh. Hamada, Zh. Kerimkulov, D. K. Alimov, A. V. Yushkov, N. Amangeldi, A. N. Bakhtibaev

Abstract:

The main aim of the current work is to examine if 14N is candidate to be clusterized nuclei or not. In order to check this attendance, we have measured the angular distributions for 14N ion beam elastically scattered on 12C target nuclei at different low energies; 17.5, 21, and 24.5MeV which are close to the Coulomb barrier energy for 14N+12C nuclear system. Study of various transfer reactions could provide us with useful information about the attendance of nuclei to be in a composite form (core + valence). The experimental data were analyzed using two approaches; Phenomenological (Optical Potential) and semi-microscopic (Double Folding Potential). The agreement between the experimental data and the theoretical predictions is fairly good in the whole angular range.

Keywords: deuteron transfer, elastic scattering, optical model, double folding, density distribution

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3963 Planning of Construction Material Flow Using Hybrid Simulation Modeling

Authors: A. M. Naraghi, V. Gonzalez, M. O'Sullivan, C. G. Walker, M. Poshdar, F. Ying, M. Abdelmegid

Abstract:

Discrete Event Simulation (DES) and Agent Based Simulation (ABS) are two simulation approaches that have been proposed to support decision-making in the construction industry. Despite the wide use of these simulation approaches in the construction field, their applications for production and material planning is still limited. This is largely due to the dynamic and complex nature of construction material supply chain systems. Moreover, managing the flow of construction material is not well integrated with site logistics in traditional construction planning methods. This paper presents a hybrid of DES and ABS to simulate on-site and off-site material supply processes. DES is applied to determine the best production scenarios with information of on-site production systems, while ABS is used to optimize the supply chain network. A case study of a construction piling project in New Zealand is presented illustrating the potential benefits of using the proposed hybrid simulation model in construction material flow planning. The hybrid model presented can be used to evaluate the impact of different decisions on construction supply chain management.

Keywords: construction supply-chain management, simulation modeling, decision-support tools, hybrid simulation

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3962 Synthesis, Physicochemical Characterization and Study of the Antimicrobial Activity of Chlorobutanol

Authors: N. Hadhoum, B. Guerfi, T. M. Sider, Z. Yassa, T. Djerboua, M. Boursouti, M. Mamou, F. Z. Hadjadj Aoul, L. R. Mekacher

Abstract:

Introduction and objectives: Chlorobutanol is a raw material, mainly used as an antiseptic and antimicrobial preservative in injectable and ophthalmic preparations. The main objective of our study was the synthesis and evaluation of the antimicrobial activity of chlorobutanol hemihydrates. Material and methods: Chlorobutanol was synthesized according to the nucleophilic addition reaction of chloroform to acetone, identified by an infrared absorption using Spectrum One FTIR spectrometer, melting point, Scanning electron microscopy and colorimetric reactions. The dosage of carvedilol active substance was carried out by assaying the degradation products of chlorobutanol in a basic solution. The chlorobutanol obtained was subjected to bacteriological tests in order to study its antimicrobial activity. The antibacterial activity was evaluated against strains such as Escherichia coli (ATCC 25 922), Staphylococcus aureus (ATCC 25 923) and Pseudomonas aeroginosa (ATCC = American type culture collection). The antifungal activity was evaluated against human pathogenic fungal strains, such as Candida albicans and Aspergillus niger provided by the parasitology laboratory of the Hospital of Tizi-Ouzou, Algeria. Results and discussion: Chlorobutanol was obtained in an acceptable yield. The characterization tests of the product obtained showed a white and crystalline appearance (confirmed by scanning electron microscopy), solubilities (in water, ethanol and glycerol), and a melting temperature in accordance with the requirements of the European pharmacopoeia. The colorimetric reactions were directed towards the presence of a trihalogenated carbon and an alcohol function. The spectral identification (IR) showed the presence of characteristic chlorobutanol peaks and confirmed the structure of the latter. The microbiological study revealed an antimicrobial effect on all strains tested (Sataphylococcus aureus (MIC = 1250 µg/ml), E. coli (MIC = 1250 µg/ml), Pseudomonas aeroginosa (MIC = 1250 µg/ml), Candida albicans (MIC =2500 µg/ml), Aspergillus niger (MIC =2500 µg/ml)) with MIC values close to literature data. Conclusion: Thus, on the whole, the synthesized chlorobutanol satisfied the requirements of the European Pharmacopoeia, and possesses antibacterial and antifungal activity; nevertheless, it is necessary to insist on the purification step of the product in order to eliminate the maximum impurities.

Keywords: antimicrobial agent, bacterial and fungal strains, chlorobutanol, MIC, minimum inhibitory concentration

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3961 Numerical Study of Off-Design Performance of a Highly Loaded Low Pressure Turbine Cascade

Authors: Shidvash Vakilipour, Mehdi Habibnia, Rouzbeh Riazi, Masoud Mohammadi, Mohammad H. Sabour

Abstract:

The flow field passing through a highly loaded low pressure (LP) turbine cascade is numerically investigated at design and off-design conditions. The Field Operation And Manipulation (OpenFOAM) platform is used as the computational Fluid Dynamics (CFD) tool. Firstly, the influences of grid resolution on the results of k-ε, k-ω, and LES turbulence models are investigated and compared with those of experimental measurements. A numerical pressure under-shoot is appeared near the end of blade pressure surface which is sensitive to grid resolution and flow turbulence modeling. The LES model is able to resolve separation on a coarse and fine grid resolutions. Secondly, the off-design flow condition is modeled by negative and positive inflow incidence angles. The numerical experiments show that a separation bubble generated on blade pressure side is predicted by LES. The total pressure drop is also been calculated at incidence angle between -20◦ and +8◦. The minimum total pressure drop is obtained by k-ω and LES at the design point.

Keywords: low pressure turbine, off-design performance, openFOAM, turbulence modeling, flow separation

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3960 Lack of BIM Training: Investigating Practical Solutions for the State of Kuwait

Authors: Noor M. Abdulfattah, Ahmed M. Khalafallah, Nabil A. Kartam

Abstract:

Despite the evident benefits of building information modeling (BIM) to the construction industry, it faces significant implementation challenges in the State of Kuwait. This study investigates the awareness of construction stakeholders of BIM implementation challenges, and identifies various solutions to overcome these challenges. Specifically, the main objectives of this study are to: (1) characterize the barriers that deter utilization of BIM, (2) examine the awareness of engineers, architects, and construction stakeholders of these barriers, and (3) identify practical solutions to facilitate BIM utilization. A questionnaire survey was designed to collect data on the aforementioned objectives from local companies and senior BIM experts. It was found that engineers are highly aware of BIM implementation barriers. In addition, it was concluded from the questionnaire that the biggest barrier is the lack of BIM training. Based on expert feedback, the study concluded with a number of recommendations on how to overcome the barriers of BIM utilization. This should prove useful to the construction industry stakeholders and can lead to significant changes to design and construction practices.

Keywords: building information modeling (BIM), construction, information technology, challenges

Procedia PDF Downloads 261
3959 Prevalence and Spatial Distribution of Anaemia in Ethiopia using 2011 EDHS

Authors: Bedilu A. Ejigu, Eshetu Wencheko, Kiros Berhane

Abstract:

Anaemia is a condition in which the haemoglobin concentration falls below an established cut-off value due to a decrease in the number and size of red blood cells. The current study aimed to assess the spatial pattern and identify predictors related to anaemia using the third Ethiopian demographic health survey which was conducted in 2010. To achieve this objective, this study took into account the clustered nature of the data. As a result, multilevel modeling has been used in the statistical analysis. For analysis purpose, only complete cases from 15,909 females, and 13,903 males were considered. Among all subjects who agreed for haemoglobin test, 5.49 %males, and 19.86% females were anaemic. In both binary and ordinal outcome modeling approaches, educational level, age, wealth index, BMI and HIV status were identified to be significant predictors for anaemia prevalence. Furthermore, it was noted that pregnant women were more anaemic than non-pregnant women. As revealed by Moran's I test, significant spatial autocorrelation was noted across clusters. The risk of anaemia was found to vary across different regions, and higher prevalence was observed in Somali and Affar region.

Keywords: anaemia, Moran's I test, multilevel models, spatial pattern

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3958 Review and Analysis of Parkinson's Tremor Genesis Using Mathematical Model

Authors: Pawan Kumar Gupta, Sumana Ghosh

Abstract:

Parkinson's Disease (PD) is a long-term neurodegenerative movement disorder of the central nervous system with vast symptoms related to the motor system. The common symptoms of PD are tremor, rigidity, bradykinesia/akinesia, and postural instability, but the clinical symptom includes other motor and non‐motor issues. The motor symptoms of the disease are consequence of death of the neurons in a region of the midbrain known as substantia nigra pars compacta, leading to decreased level of a neurotransmitter known as dopamine. The cause of this neuron death is not clearly known but involves formation of Lewy bodies, an abnormal aggregation or clumping of the protein alpha-synuclein in the neurons. Unfortunately, there is no cure for PD, and the management of this disease is challenging. Therefore, it is critical for a patient to be diagnosed at early stages. A limited choice of drugs is available to improve the symptoms, but those become less and less effective over time. Apart from that, with rapid growth in the field of science and technology, other methods such as multi-area brain stimulation are used to treat patients. In order to develop advanced techniques and to support drug development for treating PD patients, an accurate mathematical model is needed to explain the underlying relationship of dopamine secretion in the brain with the hand tremors. There has been a lot of effort in the past few decades on modeling PD tremors and treatment effects from a computational point of view. These models can effectively save time as well as the cost of drug development for the pharmaceutical industry and be helpful for selecting appropriate treatment mechanisms among all possible options. In this review paper, an effort is made to investigate studies on PD modeling and analysis and to highlight some of the key advances in the field over the past centuries with discussion on the current challenges.

Keywords: Parkinson's disease, deep brain stimulation, tremor, modeling

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3957 Nonlinear Finite Element Modeling of Reinforced Concrete Flat Plate-Inclined Column Connection

Authors: Rabab Allouzi, Amer Alkloub

Abstract:

As the complex shaped buildings become a popular trend for architects, this paper is presented to investigate the performance of reinforced concrete flat plate-inclined column connection. The studies on the inclined column and flat plate connections are not sufficient in comparison to those on the conventional structures. The effect of column angle of inclination on the punching shear strength is found significant and studied herein. This paper presents a non-linear finite element based modeling approach to estimate behavior of RC flat plate inclined column connection. Results from simulations of RC flat plate-straight column connection show good agreement with experimental response of specimens tested by other researchers. The model is further used to study the response of inclined columns to punching at various ranges of inclination angles. The inclination angle can be included in the punching shear strength provisions provided by ACI 318-14 to account for the effect of column inclination.

Keywords: punching shear, non-linear finite element, inclined columns, reinforced concrete connection

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3956 Systems Engineering and Project Management Process Modeling in the Aeronautics Context: Case Study of SMEs

Authors: S. Lemoussu, J. C. Chaudemar, R. A. Vingerhoeds

Abstract:

The aeronautics sector is currently living an unprecedented growth largely due to innovative projects. In several cases, such innovative developments are being carried out by Small and Medium sized-Enterprises (SMEs). For instance, in Europe, a handful of SMEs are leading projects like airships, large civil drones, or flying cars. These SMEs have all limited resources, must make strategic decisions, take considerable financial risks and in the same time must take into account the constraints of safety, cost, time and performance as any commercial organization in this industry. Moreover, today, no international regulations fully exist for the development and certification of this kind of projects. The absence of such a precise and sufficiently detailed regulatory framework requires a very close contact with regulatory instances. But, SMEs do not always have sufficient resources and internal knowledge to handle this complexity and to discuss these issues. This poses additional challenges for those SMEs that have system integration responsibilities and that must provide all the necessary means of compliance to demonstrate their ability to design, produce, and operate airships with the expected level of safety and reliability. The final objective of our research is thus to provide a methodological framework supporting SMEs in their development taking into account recent innovation and institutional rules of the sector. We aim to provide a contribution to the problematic by developing a specific Model-Based Systems Engineering (MBSE) approach. Airspace regulation, aeronautics standards and international norms on systems engineering are taken on board to be formalized in a set of models. This paper presents the on-going research project combining Systems Engineering and Project Management process modeling and taking into account the metamodeling problematic.

Keywords: aeronautics, certification, process modeling, project management, SME, systems engineering

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3955 Enhancing Model Interoperability and Reuse by Designing and Developing a Unified Metamodel Standard

Authors: Arash Gharibi

Abstract:

Mankind has always used models to solve problems. Essentially, models are simplified versions of reality, whose need stems from having to deal with complexity; many processes or phenomena are too complex to be described completely. Thus a fundamental model requirement is that it contains the characteristic features that are essential in the context of the problem to be solved or described. Models are used in virtually every scientific domain to deal with various problems. During the recent decades, the number of models has increased exponentially. Publication of models as part of original research has traditionally been in in scientific periodicals, series, monographs, agency reports, national journals and laboratory reports. This makes it difficult for interested groups and communities to stay informed about the state-of-the-art. During the modeling process, many important decisions are made which impact the final form of the model. Without a record of these considerations, the final model remains ill-defined and open to varying interpretations. Unfortunately, the details of these considerations are often lost or in case there is any existing information about a model, it is likely to be written intuitively in different layouts and in different degrees of detail. In order to overcome these issues, different domains have attempted to implement their own approaches to preserve their models’ information in forms of model documentation. The most frequently cited model documentation approaches show that they are domain specific, not to applicable to the existing models and evolutionary flexibility and intrinsic corrections and improvements are not possible with the current approaches. These issues are all because of a lack of unified standards for model documentation. As a way forward, this research will propose a new standard for capturing and managing models’ information in a unified way so that interoperability and reusability of models become possible. This standard will also be evolutionary, meaning members of modeling realm could contribute to its ongoing developments and improvements. In this paper, the current 3 of the most common metamodels are reviewed and according to pros and cons of each, a new metamodel is proposed.

Keywords: metamodel, modeling, interoperability, reuse

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3954 Analysis of Path Nonparametric Truncated Spline Maximum Cubic Order in Farmers Loyalty Modeling

Authors: Adji Achmad Rinaldo Fernandes

Abstract:

Path analysis tests the relationship between variables through cause and effect. Before conducting further tests on path analysis, the assumption of linearity must be met. If the shape of the relationship is not linear and the shape of the curve is unknown, then use a nonparametric approach, one of which is a truncated spline. The purpose of this study is to estimate the function and get the best model on the nonparametric truncated spline path of linear, quadratic, and cubic orders with 1 and 2-knot points and determine the significance of the best function estimator in modeling farmer loyalty through the jackknife resampling method. This study uses secondary data through questionnaires to farmers in Sumbawa Regency who use SP-36 subsidized fertilizer products as many as 100 respondents. Based on the results of the analysis, it is known that the best-truncated spline nonparametric path model is the quadratic order of 2 knots with a coefficient of determination of 85.50%; the significance of the best-truncated spline nonparametric path estimator shows that all exogenous variables have a significant effect on endogenous variables.

Keywords: nonparametric path analysis, farmer loyalty, jackknife resampling, truncated spline

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3953 Monitoring the Phenomenon of Black Sand in Hurghada’s Artificial Lakes from Sources of Groundwater and Removal Techniques

Authors: Ahmed M. Noureldin, Khaled M. Naguib

Abstract:

This experimental investigation tries to identify the root cause of the black sand issue in one of the man-made lakes in a well-known Hurghada resort. The lake is nourished by the underground wells' source, which continuously empties into the Red Sea. Chemical testing was done by looking at spots of stinky black sand beneath the sandy lake surface. The findings on samples taken from several locations (wells, lake bottom sand samples, and clean sand with exact specifications as bottom sand) indicated the existence of organic sulfur bacteria that are responsible for the phenomena of black sand. Approximately 39.139 mg/kg of sulfide in the form of hydrogen sulfide was present in the lake bottom sand, while 1.145 mg/kg, before usage, was in the bare sand. The study also involved modeling with the GPS-X program for cleaning bottom sand that uses hydro cyclones as a physical-mechanical treatment method. The modeling findings indicated a Total Organic Carbon (TOC) removal effectiveness of 0.65%. The research recommended using hydro cyclones to routinely mechanically clear the sand from lake bottoms.

Keywords: man-made lakes, organic sulfur bacteria, total organic carbon, hydro cyclone

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3952 Numerical Modelling of Surface Waves Generated by Low Frequency Electromagnetic Field for Silicon Refinement Process

Authors: V. Geza, J. Vencels, G. Zageris, S. Pavlovs

Abstract:

One of the most perspective methods to produce SoG-Si is refinement via metallurgical route. The most critical part of this route is refinement from boron and phosphorus. Therefore, a new approach could address this problem. We propose an approach of creating surface waves on silicon melt’s surface in order to enlarge its area and accelerate removal of boron via chemical reactions and evaporation of phosphorus. A two dimensional numerical model is created which includes coupling of electromagnetic and fluid dynamic simulations with free surface dynamics. First results show behaviour similar to experimental results from literature.

Keywords: numerical modelling, silicon refinement, surface waves, VOF method

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3951 Prediction of Gully Erosion with Stochastic Modeling by using Geographic Information System and Remote Sensing Data in North of Iran

Authors: Reza Zakerinejad

Abstract:

Gully erosion is a serious problem that threading the sustainability of agricultural area and rangeland and water in a large part of Iran. This type of water erosion is the main source of sedimentation in many catchment areas in the north of Iran. Since in many national assessment approaches just qualitative models were applied the aim of this study is to predict the spatial distribution of gully erosion processes by means of detail terrain analysis and GIS -based logistic regression in the loess deposition in a case study in the Golestan Province. This study the DEM with 25 meter result ion from ASTER data has been used. The Landsat ETM data have been used to mapping of land use. The TreeNet model as a stochastic modeling was applied to prediction the susceptible area for gully erosion. In this model ROC we have set 20 % of data as learning and 20 % as learning data. Therefore, applying the GIS and satellite image analysis techniques has been used to derive the input information for these stochastic models. The result of this study showed a high accurate map of potential for gully erosion.

Keywords: TreeNet model, terrain analysis, Golestan Province, Iran

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3950 Comparison of the Performance of a Brake Energy Regeneration System in Hybrid Vehicles

Authors: Miguel Arlenzo Duran Sarmiento, Luis Alfonso Del Portillo Valdés, Carlos Borras Pinilla

Abstract:

Brake energy regeneration systems have the capacity to transform part of the vehicle's kinetic energy during deceleration into useful energy. These systems can be implemented in hybrid vehicles, which can be electric or hydraulic in type, and contribute to reducing the energy required to propel the vehicle thanks to the accumulation of energy. This paper presents the modeling and simulation of a braking energy regeneration system applied in hydraulic hybrid vehicles configured in parallel, the modeling and simulation were performed in Simulink of Matlab, where a performance comparison of the regenerated torque as a function of vehicle load, the displacement of the hydraulic regeneration device and the vehicle speed profile. The speed profiles used in the simulation are standard profiles such as the NEDC and WLTP profiles. The vehicle loads range from 1500 kg to 12000 kg. The results show the comparison of the torque required by the vehicle, the torque regenerated by the system subjected to the different speed and load conditions.

Keywords: braking energy, energy regeneration, hybrid vehicles, kinetic energy, torque

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3949 Eco-Benign and Highly Efficient Procedures for the Synthesis of Amides Catalyzed by Heteropolyanion-Based Ionic Liquids under Solvent-Free Conditions

Authors: Zhikai Chena, Renzhong Fu, Wen Chaib, Rongxin Yuanb

Abstract:

Two eco-benign and highly efficient routes for the synthesis of amides have been developed by treating amines with corresponding carboxylic acids or carboxamides in the presence of heteropolyanion-based ionic liquids (HPAILs) as catalysts. These practical reactions can tolerate a wide range of substrates. Thus, various amides were obtained in good to excellent yields under solvent-free conditions at heating. Moreover, recycling studies revealed that HPAILs are easily reusable for this two procedures. These methods provide green and much improved protocols over the existing methods.

Keywords: synthesis, amide, ıonic liquid, catalyst

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3948 Finite Element Molecular Modeling: A Structural Method for Large Deformations

Authors: A. Rezaei, M. Huisman, W. Van Paepegem

Abstract:

Atomic interactions in molecular systems are mainly studied by particle mechanics. Nevertheless, researches have also put on considerable effort to simulate them using continuum methods. In early 2000, simple equivalent finite element models have been developed to study the mechanical properties of carbon nanotubes and graphene in composite materials. Afterward, many researchers have employed similar structural simulation approaches to obtain mechanical properties of nanostructured materials, to simplify interface behavior of fiber-reinforced composites, and to simulate defects in carbon nanotubes or graphene sheets, etc. These structural approaches, however, are limited to small deformations due to complicated local rotational coordinates. This article proposes a method for the finite element simulation of molecular mechanics. For ease in addressing the approach, here it is called Structural Finite Element Molecular Modeling (SFEMM). SFEMM method improves the available structural approaches for large deformations, without using any rotational degrees of freedom. Moreover, the method simulates molecular conformation, which is a big advantage over the previous approaches. Technically, this method uses nonlinear multipoint constraints to simulate kinematics of the atomic multibody interactions. Only truss elements are employed, and the bond potentials are implemented through constitutive material models. Because the equilibrium bond- length, bond angles, and bond-torsion potential energies are intrinsic material parameters, the model is independent of initial strains or stresses. In this paper, the SFEMM method has been implemented in ABAQUS finite element software. The constraints and material behaviors are modeled through two Fortran subroutines. The method is verified for the bond-stretch, bond-angle and bond-torsion of carbon atoms. Furthermore, the capability of the method in the conformation simulation of molecular structures is demonstrated via a case study of a graphene sheet. Briefly, SFEMM builds up a framework that offers more flexible features over the conventional molecular finite element models, serving the structural relaxation modeling and large deformations without incorporating local rotational degrees of freedom. Potentially, the method is a big step towards comprehensive molecular modeling with finite element technique, and thereby concurrently coupling an atomistic domain to a solid continuum domain within a single finite element platform.

Keywords: finite element, large deformation, molecular mechanics, structural method

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3947 Understanding the Role of Gas Hydrate Morphology on the Producibility of a Hydrate-Bearing Reservoir

Authors: David Lall, Vikram Vishal, P. G. Ranjith

Abstract:

Numerical modeling of gas production from hydrate-bearing reservoirs requires the solution of various thermal, hydrological, chemical, and mechanical phenomena in a coupled manner. Among the various reservoir properties that influence gas production estimates, the distribution of permeability across the domain is one of the most crucial parameters since it determines both heat transfer and mass transfer. The aspect of permeability in hydrate-bearing reservoirs is particularly complex compared to conventional reservoirs since it depends on the saturation of gas hydrates and hence, is dynamic during production. The dependence of permeability on hydrate saturation is mathematically represented using permeability-reduction models, which are specific to the expected morphology of hydrate accumulations (such as grain-coating or pore-filling hydrates). In this study, we demonstrate the impact of various permeability-reduction models, and consequently, different morphologies of hydrate deposits on the estimates of gas production using depressurization at the reservoir scale. We observe significant differences in produced water volumes and cumulative mass of produced gas between the models, thereby highlighting the uncertainty in production behavior arising from the ambiguity in the prevalent gas hydrate morphology.

Keywords: gas hydrate morphology, multi-scale modeling, THMC, fluid flow in porous media

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3946 Surface Quality Improvement of Abrasive Waterjet Cutting for Spacecraft Structure

Authors: Tarek M. Ahmed, Ahmed S. El Mesalamy, Amro M. Youssef, Tawfik T. El Midany

Abstract:

Abrasive waterjet (AWJ) machining is considered as one of the most powerful cutting processes. It can be used for cutting heat sensitive, hard and reflective materials. Aluminum 2024 is a high-strength alloy which is widely used in aerospace and aviation industries. This paper aims to improve aluminum alloy and to investigate the effect of AWJ control parameters on surface geometry quality. Design of experiments (DoE) is used for establishing an experimental matrix. Statistical modeling is used to present a relation between the cutting parameters (pressure, speed, and distance between the nozzle and cut surface) and responses (taper angle and surface roughness). The results revealed a tangible improvement in productivity by using AWJ processing. The taper kerf angle can be improved by decreasing standoff distance and speed and increasing water pressure. While decreasing (cutting speed, pressure and distance between the nozzle and cut surface) improve the surface roughness in the operating window of cutting parameters.

Keywords: abrasive waterjet machining, machining of aluminum alloy, non-traditional cutting, statistical modeling

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3945 Centrifuge Modelling Approach on Sysmic Loading Analysis of Clay: A Geotechnical Study

Authors: Anthony Quansah, Tresor Ntaryamira, Shula Mushota

Abstract:

Models for geotechnical centrifuge testing are usually made from re-formed soil, allowing for comparisons with naturally occurring soil deposits. However, there is a fundamental omission in this process because the natural soil is deposited in layers creating a unique structure. Nonlinear dynamics of clay material deposit is an essential part of changing the attributes of ground movements when subjected to solid seismic loading, particularly when diverse intensification conduct of speeding up and relocation are considered. The paper portrays a review of axis shaking table tests and numerical recreations to explore the offshore clay deposits subjected to seismic loadings. These perceptions are accurately reenacted by DEEPSOIL with appropriate soil models and parameters reviewed from noteworthy centrifuge modeling researches. At that point, precise 1-D site reaction investigations are performed on both time and recurrence spaces. The outcomes uncover that for profound delicate clay is subjected to expansive quakes, noteworthy increasing speed lessening may happen close to the highest point of store because of soil nonlinearity and even neighborhood shear disappointment; nonetheless, huge enhancement of removal at low frequencies are normal in any case the forces of base movements, which proposes that for dislodging touchy seaward establishments and structures, such intensified low-recurrence relocation reaction will assume an essential part in seismic outline. This research shows centrifuge as a tool for creating a layered sample important for modelling true soil behaviour (such as permeability) which is not identical in all directions. Currently, there are limited methods for creating layered soil samples.

Keywords: seismic analysis, layered modeling, terotechnology, finite element modeling

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3944 A Structural Model to Examine Hotel Image and Overall Satisfaction on Future Behavior of Customers

Authors: Nimit Soonsan

Abstract:

Hotel image is a key business issue in today’s hotel market and has been increasingly been recognized as a valuable and inimitable source of competitive advantage by many hotel. The current study attempted to develop and test a relationship of hotel image, overall satisfaction, and future behavior. Based on the above concepts, this paper hypothesizes the correlations among four constructs, namely, hotel image and overall satisfaction as antecedents of future behavior that positive word-of-mouth and intention to revisit. This study surveyed for a sample of 244 international customers staying budget hotel in Phuket, Thailand and using a structural equation modeling identified relationship between hotel image, overall satisfaction and future behavior. The major finding of structural equation modeling indicates that hotel image directly affects overall satisfaction and indirectly affects future behavior that positive word-of-mouth and intention to revisit. In addition, overall satisfaction had significant influence on future behavior that positive word-of-mouth and intention to revisit, and the mediating role of overall satisfaction is also confirmed in this study. Managerial implications are provided, limitations noted, and future research directions suggested.

Keywords: hotel image, satisfaction, word-of-mouth, revisit

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3943 Experimental and Numerical Investigations on Flexural Behavior of Macro-Synthetic FRC

Authors: Ashkan Shafee, Ahamd Fahimifar, Sajjad V. Maghvan

Abstract:

Promotion of the Fiber Reinforced Concrete (FRC) as a construction material for civil engineering projects has invoked numerous researchers to investigate their mechanical behavior. Even though there is satisfactory information about the effects of fiber type and length, concrete mixture, casting type and other variables on the strength and deformability parameters of FRC, the numerical modeling of such materials still needs research attention. The focus of this study is to investigate the feasibility of Concrete Damaged Plasticity (CDP) model in prediction of Macro-synthetic FRC structures behavior. CDP model requires the tensile behavior of concrete to be well characterized. For this purpose, a series of uniaxial direct tension and four point bending tests were conducted on the notched specimens to define bilinear tension softening (post-peak tension stress-strain) behavior. With these parameters obtained, the flexural behavior of macro-synthetic FRC beams were modeled and the results showed a good agreement with the experimental measurements.

Keywords: concrete damaged plasticity, fiber reinforced concrete, finite element modeling, macro-synthetic fibers, uniaxial tensile test

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3942 Temporal Estimation of Hydrodynamic Parameter Variability in Constructed Wetlands

Authors: Mohammad Moezzibadi, Isabelle Charpentier, Adrien Wanko, Robert Mosé

Abstract:

The calibration of hydrodynamic parameters for subsurface constructed wetlands (CWs) is a sensitive process since highly non-linear equations are involved in unsaturated flow modeling. CW systems are engineered systems designed to favour natural treatment processes involving wetland vegetation, soil, and their microbial flora. Their significant efficiency at reducing the ecological impact of urban runoff has been recently proved in the field. Numerical flow modeling in a vertical variably saturated CW is here carried out by implementing the Richards model by means of a mixed hybrid finite element method (MHFEM), particularly well adapted to the simulation of heterogeneous media, and the van Genuchten-Mualem parametrization. For validation purposes, MHFEM results were compared to those of HYDRUS (a software based on a finite element discretization). As van Genuchten-Mualem soil hydrodynamic parameters depend on water content, their estimation is subject to considerable experimental and numerical studies. In particular, the sensitivity analysis performed with respect to the van Genuchten-Mualem parameters reveals a predominant influence of the shape parameters α, n and the saturated conductivity of the filter on the piezometric heads, during saturation and desaturation. Modeling issues arise when the soil reaches oven-dry conditions. A particular attention should also be brought to boundary condition modeling (surface ponding or evaporation) to be able to tackle different sequences of rainfall-runoff events. For proper parameter identification, large field datasets would be needed. As these are usually not available, notably due to the randomness of the storm events, we thus propose a simple, robust and low-cost numerical method for the inverse modeling of the soil hydrodynamic properties. Among the methods, the variational data assimilation technique introduced by Le Dimet and Talagrand is applied. To that end, a variational data assimilation technique is implemented by applying automatic differentiation (AD) to augment computer codes with derivative computations. Note that very little effort is needed to obtain the differentiated code using the on-line Tapenade AD engine. Field data are collected for a three-layered CW located in Strasbourg (Alsace, France) at the water edge of the urban water stream Ostwaldergraben, during several months. Identification experiments are conducted by comparing measured and computed piezometric head by means of the least square objective function. The temporal variability of hydrodynamic parameter is then assessed and analyzed.

Keywords: automatic differentiation, constructed wetland, inverse method, mixed hybrid FEM, sensitivity analysis

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3941 Modeling Drying and Pyrolysis of Moist Wood Particles at Slow Heating Rates

Authors: Avdhesh K. Sharma

Abstract:

Formulation for drying and pyrolysis process in packed beds at slow heating rates is presented. Drying of biomass particles bed is described by mass diffusion equation and local moisture-vapour-equilibrium relations. In gasifiers, volatilization rate during pyrolysis of biomass is modeled by using apparent kinetic rate expression, while product compositions at slow heating rates is modeled using empirical fitted mass ratios (i.e., CO/CO2, ME/CO2, H2O/CO2) in terms of pyrolysis temperature. The drying module is validated fairly with available chemical kinetics scheme and found that the testing zone in gasifier bed constituted of relatively smaller particles having high airflow with high isothermal temperature expedite the drying process. Further, volatile releases more quickly within the shorter zone height at high temperatures (isothermal). Both, moisture loss and volatile release profiles are found to be sensitive to temperature, although the influence of initial moisture content on volatile release profile is not so sensitive.

Keywords: modeling downdraft gasifier, drying, pyrolysis, moist woody biomass

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3940 The Applications of Wire Print in Composite Material Research and Fabrication Process

Authors: Hsu Yi-Chia, Hoy June-Hao

Abstract:

FDM (Fused Deposition Modeling) is a rapid proofing method without mold, however, high material and time costs have always been a major disadvantage. Wire-printing is the next generation technology that can more flexible, and also easier to apply on a 3D printer and robotic arms printing. It can create its own construction methods. The research is mainly divided into three parts. The first is about the method of parameterizing the generated paths and the conversion of g-code to the wire-printing. The second is about material attempts and the application of effects. Third, is about the improvement of the operation of mechanical equipment and the design of robotic tool-head. The purpose of this study is to develop a new wire-print method that can efficiently generate line segments and paths in three- dimensions space. The parametric modeling software transforms the digital model into a 3D printer or robotic arms g-code, this article uses thermoplastics/ clay/composites materials for testing. The combination of materials and wire-print process makes architects and designers have the ability to research and develop works and construction in the future.

Keywords: parametric software, wire print, robotic arms fabrication, composite filament additive manufacturing

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3939 A Numerical Study of the Interaction between Residual Stress Profiles Induced by Quasi-Static Plastification

Authors: Guilherme F. Guimaraes, Alfredo R. De Faria, Ronnie R. Rego, Andre L. R. D'Oliveira

Abstract:

The development of methods for predicting manufacturing phenomena steadily grows due to their high potential to contribute to the component’s performance and durability. One of the most relevant phenomena in manufacturing is the residual stress state development through the manufacturing chain. In most cases, the residual stresses have their origin due to heterogenous plastifications produced by the processes. Although a few manufacturing processes have been successfully approached by numerical modeling, there is still a lack of understanding on how these processes' interactions will affect the final stress state. The objective of this work is to analyze the influence of previous stresses on the residual stress state induced by plastic deformation of a quasi-static indentation. The model consists of a simplified approach of shot peening, modeling four cases with variations in indenter size and force. This model was validated through topography, measured by optical 3D focus-variation, and residual stress, measured with the X-ray diffraction technique. The validated model was then exposed to several initial stress states, and the effect on the final residual stress was analyzed.

Keywords: plasticity, residual stress, finite element method, manufacturing

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3938 CO₂ Conversion by Low-Temperature Fischer-Tropsch

Authors: Pauline Bredy, Yves Schuurman, David Farrusseng

Abstract:

To fulfill climate objectives, the production of synthetic e-fuels using CO₂ as a raw material appears as part of the solution. In particular, Power-to-Liquid (PtL) concept combines CO₂ with hydrogen supplied from water electrolysis, powered by renewable sources, which is currently gaining interest as it allows the production of sustainable fossil-free liquid fuels. The proposed process discussed here is an upgrading of the well-known Fischer-Tropsch synthesis. The concept deals with two cascade reactions in one pot, with first the conversion of CO₂ into CO via the reverse water gas shift (RWGS) reaction, which is then followed by the Fischer-Tropsch Synthesis (FTS). Instead of using a Fe-based catalyst, which can carry out both reactions, we have chosen the strategy to decouple the two functions (RWGS and FT) on two different catalysts within the same reactor. The FTS shall shift the equilibrium of the RWGS reaction (which alone would be limited to 15-20% of conversion at 250°C) by converting the CO into hydrocarbons. This strategy shall enable optimization of the catalyst pair and thus lower the temperature of the reaction thanks to the equilibrium shift to gain selectivity in the liquid fraction. The challenge lies in maximizing the activity of the RWGS catalyst but also in the ability of the FT catalyst to be highly selective. Methane production is the main concern as the energetic barrier of CH₄ formation is generally lower than that of the RWGS reaction, so the goal will be to minimize methane selectivity. Here we report the study of different combinations of copper-based RWGS catalysts with different cobalt-based FTS catalysts. We investigated their behaviors under mild process conditions by the use of high-throughput experimentation. Our results show that at 250°C and 20 bars, Cobalt catalysts mainly act as methanation catalysts. Indeed, CH₄ selectivity never drops under 80% despite the addition of various protomers (Nb, K, Pt, Cu) on the catalyst and its coupling with active RWGS catalysts. However, we show that the activity of the RWGS catalyst has an impact and can lead to longer hydrocarbons chains selectivities (C₂⁺) of about 10%. We studied the influence of the reduction temperature on the activity and selectivity of the tandem catalyst system. Similar selectivity and conversion were obtained at reduction temperatures between 250-400°C. This leads to the question of the active phase of the cobalt catalysts, which is currently investigated by magnetic measurements and DRIFTS. Thus, in coupling it with a more selective FT catalyst, better results are expected. This was achieved using a cobalt/iron FTS catalyst. The CH₄ selectivity dropped to 62% at 265°C, 20 bars, and a GHSV of 2500ml/h/gcat. We propose that the conditions used for the cobalt catalysts could have generated this methanation because these catalysts are known to have their best performance around 210°C in classical FTS, whereas the iron catalysts are more flexible but are also known to have an RWGS activity.

Keywords: cobalt-copper catalytic systems, CO₂-hydrogenation, Fischer-Tropsch synthesis, hydrocarbons, low-temperature process

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