Search results for: HRSG thermodynamic modeling

Authors: Makenzy Lee Gilbert

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This literature review explores the role of attractor neural networks (ANNs) in modeling psychological processes in artificial and biological systems. By synthesizing research from dynamical systems theory, psychology, and computational neuroscience, the review provides an overview of the current understanding of ANN function in memory formation, reinforcement, retrieval, and forgetting. Key mathematical foundations, including dynamical systems theory and energy functions, are discussed to explain the behavior and stability of these networks. The review also examines empirical applications of ANNs in cognitive processes such as semantic memory and episodic recall, as well as highlighting the hippocampus's role in pattern separation and completion. The review addresses challenges like catastrophic forgetting and noise effects on memory retrieval. By identifying gaps between theoretical models and empirical findings, it highlights the interdisciplinary nature of ANN research and suggests future exploration areas.

Keywords: attractor neural networks, connectionism, computational modeling, cognitive neuroscience

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Authors: Temesgen Takele Kasa

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The main aim of this paper is to suggest one active slip based continuum dislocation approach to matrix dominated MMC plasticity analysis. The approach centered the free energy principles through the continuum behavior of dislocations combined with small strain continuum kinematics. The analytical derivation of this method includes the formulation of one active slip system, the thermodynamic approach of dislocations, determination of free energy, and evolution of dislocations. In addition zero and non-zero energy dissipation analysis of dislocation evolution is also formulated by using varational energy minimization method. In general, this work shows its capability to analyze the plasticity of matrix dominated MMC with inclusions. The proposed method is also found to be capable of handling plasticity of MMC.

Keywords: active slip, continuum dislocation, distortion, dominated, energy dissipation, matrix dominated, plasticity

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Authors: Ichihan Tai, Bill Olson, Paul Blessner

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Traditional early warning systems that alarm against crisis are generally based on structured or numerical data; therefore, a system that can make predictions based on unstructured textual data, an uncorrelated data source, is a great complement to the traditional early warning systems. The Chicago Board Options Exchange (CBOE) Volatility Index (VIX), commonly referred to as the fear index, measures the cost of insurance against market crash, and spikes in the event of crisis. In this study, news data is consumed for prediction of whether there will be a market-wide crisis by predicting the movement of the fear index, and the historical references to similar events are presented in an unsupervised manner. Topic modeling-based prediction and representation are made based on daily news data between 1990 and 2015 from The Wall Street Journal against VIX index data from CBOE.

Keywords: early warning system, knowledge management, market prediction, topic modeling.

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Authors: Taehyun Kim, Hyunjoo Park, Taehyun Kim

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Since the rapid economic development, Korea has recently entered a period of low growth due to population decline and aging. Due to the urbanization around the metropolitan area and the hollowing of local cities, the ecological capacity of a city is decreasing while ecological footprints are increasing, requiring a compact space plan for maintaining urban functions. The purpose of this study is to analyze the relationship between urban spatial structure and residents' ecological footprints for sustainable spatial planning. To do this, we try to analyze the relationship between intra-urban spatial structure, such as net/gross density and service accessibility, and resident ecological footprints of food, housing, transportation, goods and services through survey and structural equation modeling. The results of the study will be useful in establishing an implementation plan for sustainable development goals (SDGs), especially for sustainable cities and communities (SDG 11) and responsible consumption and production (SDG 12) in the future.

Keywords: ecological footprint, structural equation modeling, survey, sustainability, urban spatial structure

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Authors: Arun Goel

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Prediction of maximum local scour is necessary for the safety and economical design of the bridges. A number of equations have been developed over the years to predict local scour depth using laboratory data and a few pier equations have also been proposed using field data. Most of these equations are empirical in nature as indicated by the past publications. In this paper, attempts have been made to compute local depth of scour around bridge pier in dimensional and non-dimensional form by using linear regression, simple regression and SVM (Poly and Rbf) techniques along with few conventional empirical equations. The outcome of this study suggests that the SVM (Poly and Rbf) based modeling can be employed as an alternate to linear regression, simple regression and the conventional empirical equations in predicting scour depth of bridge piers. The results of present study on the basis of non-dimensional form of bridge pier scour indicates the improvement in the performance of SVM (Poly and Rbf) in comparison to dimensional form of scour.

Keywords: modeling, pier scour, regression, prediction, SVM (Poly and Rbf kernels)

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Authors: B. K. Gill, Himani Sharma, V. K. Rattan

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Experimental data of refractive index, excess molar volume and viscosity of binary mixture of morpholine with cumene over the whole composition range at 298.15 K, 303.15 K, 308.15 K and normal atmospheric pressure have been measured. The experimental data were used to compute the density, deviation in molar refraction, deviation in viscosity and excess Gibbs free energy of activation as a function of composition. The experimental viscosity data have been correlated with empirical equations like Grunberg- Nissan, Herric correlation and three body McAllister’s equation. The excess thermodynamic properties were fitted to Redlich-Kister polynomial equation. The variation of these properties with composition and temperature of the binary mixtures are discussed in terms of intermolecular interactions.

Keywords: cumene, excess Gibbs free energy, excess molar volume, morpholine

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Authors: Dan Geneau, Mary Claire Geneau, Seth Lenetsky, Ming -Chang Tsai, Marc Klimstra

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Introduction— Horizontal force-velocity profiling (HFVP) involves modeling an athletes linear sprint kinematics to estimate valuable maximum force and velocity metrics. This approach to performance modeling has been used in field-based team sports and has recently been introduced to ice-hockey as a forward skating performance assessment. While preliminary data has been collected on ice, distance constraints of the on-ice test restrict the ability of the athletes to reach their maximal velocity which result in limits of the model to effectively estimate athlete performance. This is especially true of more elite athletes. This report explores whether athletes on-ice are able to reach a velocity plateau similar to what has been seen in overground trials. Fourteen male Major Junior ice-hockey players (BW= 83.87 +/- 7.30 kg, height = 188 ± 3.4cm cm, age = 18 ± 1.2 years n = 14) were recruited. For on-ice sprints, participants completed a standardized warm-up consisting of skating and dynamic stretching and a progression of three skating efforts from 50% to 95%. Following the warm-up, participants completed three on ice 45m sprints, with three minutes of rest in between each trial. For overground sprints, participants completed a similar dynamic warm-up to that of on-ice trials. Following the warm-up participants completed three 40m overground sprint trials. For each trial (on-ice and overground), radar was used to collect instantaneous velocity (Stalker ATS II, Texas, USA) aimed at the participant’s waist. Sprint velocities were modelled using custom Python (version 3.2) script using a mono-exponential function, similar to previous work. To determine if on-ice tirals were achieving a maximum velocity (plateau), minimum acceleration values of the modeled data at the end of the sprint were compared (using paired t-test) between on-ice and overground trials. Significant differences (P<0.001) between overground and on-ice minimum accelerations were observed. It was found that on-ice trials consistently reported higher final acceleration values, indicating a maximum maintained velocity (plateau) had not been reached. Based on these preliminary findings, it is suggested that reliable HFVP metrics cannot yet be collected from all ice-hockey populations using current methods. Elite male populations were not able to achieve a velocity plateau similar to what has been seen in overground trials, indicating the absence of a maximum velocity measure. With current velocity and acceleration modeling techniques, including a dependency of a velocity plateau, these results indicate the potential for error in on-ice HFVP measures. Therefore, these findings suggest that a greater on-ice sprint distance may be required or the need for other velocity modeling techniques, where maximal velocity is not required for a complete profile.   

Keywords: ice-hockey, sprint, skating, power

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Authors: Adrian O'Hagan, Robert McLoughlin

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Considerable focus in the world of insurance risk quantification is placed on modeling loss values from lines of business (LOBs) that possess upper tail dependence. Copulas such as the Joe, Gumbel and Student-t copula may be used for this purpose. The copula structure imparts a desired level of tail dependence on the joint distribution of claims from the different LOBs. Alternatively, practitioners may possess historical or simulated data that already exhibit upper tail dependence, through the impact of catastrophe events such as hurricanes or earthquakes. In these circumstances, it is not desirable to induce additional upper tail dependence when modeling the joint distribution of the loss values from the individual LOBs. Instead, it is of interest to accurately assess the degree of tail dependence already present in the data. The empirical copula and its associated upper tail dependence coefficient are presented in this paper as robust, efficient means of achieving this goal.

Keywords: empirical copula, extreme events, insurance loss reserving, upper tail dependence coefficient

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Authors: Ronit Chakraborty, Sugata Banerji

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There has been a marked increase in the reported prevalence of Autism Spectrum Disorder (ASD) among children in the US over the past two decades. This research has analyzed the growth in state-level ASD prevalence against 45 different potentially explanatory factors, including socio-economic, demographic, healthcare, public policy, and political factors. The goal was to understand if these factors have adequate predictive power in modeling the differential growth in ASD prevalence across various states and if they do, which factors are the most influential. The key findings of this study include (1) the confirmation that the chosen feature set has considerable power in predicting the growth in ASD prevalence, (2) the identification of the most influential predictive factors, (3) given the nature of the most influential predictive variables, an indication that a considerable portion of the reported ASD prevalence differentials across states could be attributable to over and under diagnosis, and (4) identification of Florida as a key outlier state pointing to a potential under-diagnosis of ASD there.

Keywords: autism spectrum disorder, clustering, machine learning, predictive modeling

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Authors: Youb Said, Fourar Ali

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To describe the influence of bottom roughness on the free surface flows by numerical modeling, a two-dimensional model was developed. The equations of continuity and momentum (Naviers Stokes equations) are solved by the finite volume method. We considered a turbulent flow in an open channel with a bottom roughness. For our simulations, the K-ε model was used. After setting the initial and boundary conditions and solve the equations set, we were able to achieve the following results: vortex forming in the hollow causing substantial energy dissipation in the obstacle areas that form the bottom roughness. The comparison of our results with experimental ones shows a good agreement in terms of the results in the rough area. However, in other areas, differences were more or less important. These differences are in areas far from the bottom, especially the free surface area just after the bottom. These disagreements are probably due to experimental constants used by the k-ε model.

Keywords: modeling, free surface flow, turbulence, bottom roughness, finite volume, K-ε model, energy dissipation

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Authors: Selvam Noyel Victoria, Kavita Yadav, Manivannan Ramachandran

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The extract of Tagetes erecta (marigold flower) was used as a green corrosion inhibitor for mild steel (MS) in nitric acid medium. The weight loss measurements were performed to understand the inhibition mechanism. The effect of temperature on the behaviour of mild steel corrosion without and with inhibitor was studied. The temperature studies revealed that the activation energy increased from 12 kJ/mol to 28.8 kJ/mol with the addition of 500 ppm inhibitor concentration. The thermodynamic analysis and the adsorption isotherm studies revealed that the molecules of inhibitor show physical adsorption on the surface of mild steel. Based on weight loss measurements, adsorption of the inhibitor on the surface of mild steel follows Langmuir isotherm.

Keywords: Tagetes erecta, corrosion, adsorption, inhibitor

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Authors: Adinarayana Badveeti, Mohammad Shafi Mir

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In Srinagar city, in India, road safety is an important aspect that creates ecological balance and social well being. A road accident creates a situation that leaves behind distress, sorrow, and sufferings. Therefore identification of causes of road accidents becomes highly essential for adopting necessary preventive measures against a critical event. The damage created by road accidents to large extent is unrepairable and therefore needs attention to eradicate this continuously increasing trend of awful 'epidemic'. Road accident in India is among the highest in the world, with at least approximately 142.000 people killed each year on the road. Kashmir region is an ecologically sensitive place but lacks necessary facilities and infrastructure regarding road transportation, ultimately resulting in the critical event-road accidents creating a major problem for common people in the region. The objective of this project is to study the safety aspect of Srinagar City and also model the accidents with different aspect that causes accidents and also to suggest the possible remedies for lessening/eliminating the road accidents.

Keywords: road safety, road accident, road infrastructure, accident modeling

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Authors: Mehrdad Azimzadeh, Seyed Mohammadreza Jabbari, Mohammadreza Hosseinzadeh Alherd

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This paper includes experimental results and analytical studies about increasing resistance of single-span reinforced concreted frames against impact factor and their modeling according to optimization methods and optimizing the behavior of these frames under impact loads. During this study, about 30 designs for different frames were modeled and made using specialized software like ANSYS and Sap and their behavior were examined under variable impacts. Then suitable strategies were offered for frames in terms of concrete mixing in order to optimize frame modeling. To reduce the weight of the frames, we had to use fine-grained stones. After designing about eight types of frames for each type of frames, three samples were designed with the aim of controlling the impact strength parameters, and a good shape of the frame was created for the impact resistance, which was a solid frame with muscular legs, and as a bond away from each other as much as possible with a 3 degree gradient in the upper part of the beam.

Keywords: optimization, reinforced concrete, optimization methods, impact load, earthquake

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Authors: V. E. Messerle, O. A. Lavrichshev, A. B. Ustimenko

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Currently and in the foreseeable future (up to 2100), the global economy is oriented to the use of organic fuel, mostly, solid fuels, the share of which constitutes 40% in the generation of electric power. Therefore, the development of technologies for their effective and environmentally friendly application represents a priority problem nowadays. This work presents the results of thermodynamic and experimental investigations of plasma technology for processing of low-grade coals. The use of this technology for producing target products (synthesis gas, hydrogen, technical carbon, and valuable components of mineral mass of coals) meets the modern environmental and economic requirements applied to basic industrial sectors. The plasma technology of coal processing for the production of synthesis gas from the coal organic mass (COM) and valuable components from coal mineral mass (CMM) is highly promising. Its essence is heating the coal dust by reducing electric arc plasma to the complete gasification temperature, when the COM converts into synthesis gas, free from particles of ash, nitrogen oxides and sulfur. At the same time, oxides of the CMM are reduced by the carbon residue, producing valuable components, such as technical silicon, ferrosilicon, aluminum and carbon silicon, as well as microelements of rare metals, such as uranium, molybdenum, vanadium, titanium. Thermodynamic analysis of the process was made using a versatile computation program TERRA. Calculations were carried out in the temperature range 300 - 4000 K and a pressure of 0.1 MPa. Bituminous coal with the ash content of 40% and the heating value 16,632 kJ/kg was taken for the investigation. The gaseous phase of coal processing products includes, basically, a synthesis gas with a concentration of up to 99 vol.% at 1500 K. CMM components completely converts from the condensed phase into the gaseous phase at a temperature above 2600 K. At temperatures above 3000 K, the gaseous phase includes, basically, Si, Al, Ca, Fe, Na, and compounds of SiO, SiH, AlH, and SiS. The latter compounds dissociate into relevant elements with increasing temperature. Complex coal conversion for the production of synthesis gas from COM and valuable components from CMM was investigated using a versatile experimental plant the main element of which was plug and flow plasma reactor. The material and thermal balances helped to find the integral indicators for the process. Plasma-steam gasification of the low-grade coal with CMM processing gave the synthesis gas yield 95.2%, the carbon gasification 92.3%, and coal desulfurization 95.2%. The reduced material of the CMM was found in the slag in the form of ferrosilicon as well as silicon and iron carbides. The maximum reduction of the CMM oxides was observed in the slag from the walls of the plasma reactor in the areas with maximum temperatures, reaching 47%. The thusly produced synthesis gas can be used for synthesis of methanol, or as a high-calorific reducing gas instead of blast-furnace coke as well as power gas for thermal power plants. Reduced material of CMM can be used in metallurgy.

Keywords: gasification, mineral mass, organic mass, plasma, processing, solid fuel, synthesis gas, valuable components

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Authors: B. Bouadjemia, M. Houaria, S. Haida, Y. B. Idriss, A, Akham, M. Matouguia, A. Gasmia, T. Lantria, S. Bentataa

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It have investigated the structural, optoelectronic, elastic and thermodynamic properties of KGeX₃ (X = F, Cl and Br) using the density functional theory (DFT) with generalized gradient approximation (GGA) for potential exchange correlation. The modified Becke-Johnson (mBJ-GGA) potential approximation is also used for calculating the optoelectronic properties of the material.The results show that the band structure of the metalloid halide perovskites KGeX₃ (X = F, Cl and Br) have a semiconductor behavior with direct band gap at R-R direction, the gap energy values for each compound as following: 2.83, 1.27 and 0.79eV respectively. The optical properties, such as real and imaginary parts of the dielectric functions, refractive index, reflectivity and absorption coefficient, are investigated. As results, these compounds are competent candidates for optoelectronic and photovoltaic devices in this range of the energy spectrum.

Keywords: density functional theory (DFT), semiconductor behavior, metalloid halide perovskites, optical propertie and photovoltaic devices

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Authors: O. Behar, A. Khellaf, K. Mohammedi, S. Ait Kaci

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Up to now, most validation studies have been based on the MBE and RMSE, and therefore, focused only on long and short terms performance to test and classify solar radiation models. This traditional analysis does not take into account the quality of modeling and linearity. In our analysis we have tested 22 solar radiation models that are capable to provide instantaneous direct and global radiation at any given location Worldwide. We introduce a new indicator, which we named Global Accuracy Indicator (GAI) to examine the linear relationship between the measured and predicted values and the quality of modeling in addition to long and short terms performance. Note that the quality of model has been represented by the T-Statistical test, the model linearity has been given by the correlation coefficient and the long and short term performance have been respectively known by the MBE and RMSE. An important founding of this research is that the use GAI allows avoiding default validation when using traditional methodology that might results in erroneous prediction of solar power conversion systems performances.

Keywords: solar radiation model, parametric model, performance analysis, Global Accuracy Indicator (GAI)

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Authors: Aniket Aaba Kadam, Manish Mangesh Panchal, Roushan Ashit Sharma

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This project focuses on the design and development of a lab-scale hybrid rocket motor to accurately determine the regression rate of a fuel/oxidizer combination consisting of solid paraffin and gaseous oxygen (GOX). Hybrid motors offer the advantage of on-demand thrust control over both solid and liquid systems in certain applications. The thermodynamic properties of the propellant combination were calculated using NASA CEA at different chamber pressures and corresponding O/F values to determine initial operating conditions with suitable peak temperatures and optimal O/F values. The project also includes the design of the injector orifice and the determination of the final design configurations of the motor casing, pressure control setup, and valve configuration. This research will be valuable in advancing the understanding of paraffin-based propulsion and improving the performance of hybrid rocket motors.

Keywords: hybrid rocket, NASA CEA, injector, thrust control

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Authors: Seyed Mohammad Mahdi Zamani, Kamran Behdinan

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In this study, a multiscale framework is performed to model the strength of Nextel fibers in presence of an atomistic scale pre-crack at finite temperatures. The bridging cell method (BCM) is the multiscale technique applied in this study, which decomposes the system into the atomistic, bridging and continuum domains; solves the whole system in a finite element framework; and incorporates temperature dependent calculations. Since Nextel is known to be structurally stable and retain 70% of its initial strength up to 1100°C; simulations are conducted at both of the room temperatures, 25°C, and fire temperatures, 1200°C. Two cases are modeled for a pre-crack present in either phases of alumina or mullite of the Nextel structure. The materials’ response is studied with respect to deformation behavior and ultimate tensile strength. Results show different crack growth trends for the two cases, and as the temperature increases, the crack growth resistance and material’s strength decrease.

Keywords: Nextel fibers, multiscale modeling, pre-crack, ultimate tensile strength

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Authors: Jung-Ho Moon, Myung-Gon Yoon, Tae Kwon Ha

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High temperature deformation behavior of cast 310S stainless steel has been investigated in this study by performing tensile and compression tests at temperatures from 900 to 1200°C. Rectangular ingots of which the dimensions were 350×350×100 in millimeter were cast using vacuum induction melting. Phase equilibrium was calculated using the FactSage®, thermodynamic software and database. Thermal expansion coefficient was also measured on the ingot in the temperature range from room temperature to 1200°C. Tensile strength of cast 310S stainless steel was 9 MPa at 1200°C, which is a little higher than that of a wrought 310S. With temperature decreased, tensile strength increased rapidly and reached up to 72 MPa at 900°C. Elongation also increased with temperature decreased. Microstructure observation revealed that σ phase was precipitated along the grain boundary and within the matrix over 1200°C, which is detrimental to high temperature elongation.

Keywords: stainless steel, STS 310S, high temperature deformation, microstructure, mechanical properties

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Authors: Karima Qayumi, Alex Norta

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The rapid generation of high volume and a broad variety of data from the application of new technologies pose challenges for the generation of business-intelligence. Most organizations and business owners need to extract data from multiple sources and apply analytical methods for the purposes of developing their business. Therefore, the recently decentralized data management environment is relying on a distributed computing paradigm. While data are stored in highly distributed systems, the implementation of distributed data-mining techniques is a challenge. The aim of this technique is to gather knowledge from every domain and all the datasets stemming from distributed resources. As agent technologies offer significant contributions for managing the complexity of distributed systems, we consider this for next-generation data-mining processes. To demonstrate agent-based business intelligence operations, we use agent-oriented modeling techniques to develop a new artifact for mining massive datasets.

Keywords: agent-oriented modeling (AOM), business intelligence model (BIM), distributed data mining (DDM), multi-agent system (MAS)

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Authors: Yana Snegireva

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Carbonate reservoirs are known for their heterogeneity, resulting from various geological processes such as diagenesis and fracturing. These complexities may cause great challenges in understanding fluid flow behavior and predicting the production performance of naturally fractured reservoirs. The investigation of carbonate reservoirs is crucial, as many petroleum reservoirs are naturally fractured, which can be difficult due to the complexity of their fracture networks. This can lead to geological uncertainties, which are important for global petroleum reserves. The problem outlines the key challenges in carbonate reservoir modeling, including the accurate representation of fractures and their connectivity, as well as capturing the impact of fractures on fluid flow and production. Traditional reservoir modeling techniques often oversimplify fracture networks, leading to inaccurate predictions. Therefore, there is a need for a modern approach that can capture the complexities of carbonate reservoirs and provide reliable predictions for effective reservoir management and production optimization. The modern approach to carbonate reservoir modeling involves the utilization of the hybrid fracture modeling approach, including the discrete fracture network (DFN) method and implicit fracture network, which offer enhanced accuracy and reliability in characterizing complex fracture systems within these reservoirs. This study focuses on the application of the hybrid method in the Nepsko-Botuobinskaya anticline of the Eastern Siberia field, aiming to prove the appropriateness of this method in these geological conditions. The DFN method is adopted to model the fracture network within the carbonate reservoir. This method considers fractures as discrete entities, capturing their geometry, orientation, and connectivity. But the method has significant disadvantages since the number of fractures in the field can be very high. Due to limitations in the amount of main memory, it is very difficult to represent these fractures explicitly. By integrating data from image logs (formation micro imager), core data, and fracture density logs, a discrete fracture network (DFN) model can be constructed to represent fracture characteristics for hydraulically relevant fractures. The results obtained from the DFN modeling approaches provide valuable insights into the East Siberia field's carbonate reservoir behavior. The DFN model accurately captures the fracture system, allowing for a better understanding of fluid flow pathways, connectivity, and potential production zones. The analysis of simulation results enables the identification of zones of increased fracturing and optimization opportunities for reservoir development with the potential application of enhanced oil recovery techniques, which were considered in further simulations on the dual porosity and dual permeability models. This approach considers fractures as separate, interconnected flow paths within the reservoir matrix, allowing for the characterization of dual-porosity media. The case study of the East Siberia field demonstrates the effectiveness of the hybrid model method in accurately representing fracture systems and predicting reservoir behavior. The findings from this study contribute to improved reservoir management and production optimization in carbonate reservoirs with the use of enhanced and improved oil recovery methods.

Keywords: carbonate reservoir, discrete fracture network, fracture modeling, dual porosity, enhanced oil recovery, implicit fracture model, hybrid fracture model

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Authors: Ram V. Mohan, John Rivas-Murillo, Ahmed Mohamed, Wayne D. Hodo

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Cementitious materials, an excellent example of highly complex, heterogeneous material systems, are cement-based systems that include cement paste, mortar, and concrete that are heavily used in civil infrastructure; though commonly used are one of the most complex in terms of the material morphology and structure than most materials, for example, crystalline metals. Processes and features occurring at the nanometer sized morphological structures affect the performance, deformation/failure behavior at larger length scales. In addition, cementitious materials undergo chemical and morphological changes gaining strength during the transient hydration process. Hydration in cement is a very complex process creating complex microstructures and the associated molecular structures that vary with hydration. A fundamental understanding can be gained through multi-scale level modeling for the behavior and properties of cementitious materials starting from the material chemistry level atomistic scale to further explore their role and the manifested effects at larger length and engineering scales. This predictive modeling enables the understanding, and studying the influence of material chemistry level changes and nanomaterial additives on the expected resultant material characteristics and deformation behavior. Atomistic-molecular dynamic level modeling is required to couple material science to engineering mechanics. Starting at the molecular level a comprehensive description of the material’s chemistry is required to understand the fundamental properties that govern behavior occurring across each relevant length scale. Material chemistry level models and molecular dynamics modeling and simulations are employed in our work to describe the molecular-level chemistry features of calcium-silicate-hydrate (CSH), one of the key hydrated constituents of cement paste, their associated deformation and failure. The molecular level atomic structure for CSH can be represented by Jennite mineral structure. Jennite has been widely accepted by researchers and is typically used to represent the molecular structure of the CSH gel formed during the hydration of cement clinkers. This paper will focus on our recent work on the shear and compressive deformation and failure behavior of CSH represented by Jennite mineral structure that has been widely accepted by researchers and is typically used to represent the molecular structure of CSH formed during the hydration of cement clinkers. The deformation and failure behavior under shear and compression loading deformation in traditional hydrated CSH; effect of material chemistry changes on the predicted stress-strain behavior, transition from linear to non-linear behavior and identify the on-set of failure based on material chemistry structures of CSH Jennite and changes in its chemistry structure will be discussed.

Keywords: cementitious materials, deformation, failure, material chemistry modeling

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Authors: Chang Qin, Daham Mustafa, Abderrahmane Khiat, Pierre Bienert, Paulo Zanini

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Nowadays, companies are facing lots of challenges in the process of digital transformation, which can be a complex and costly undertaking. Digital transformation involves the collection and analysis of large amounts of data, which can create challenges around data management and governance. Furthermore, it is also challenged to integrate data from multiple systems and technologies. Although with these pains, companies are still pursuing digitalization because by embracing advanced technologies, companies can improve efficiency, quality, decision-making, and customer experience while also creating different business models and revenue streams. In this paper, the issue that data is stored in data silos with different schema and structures is focused. The conventional approaches to addressing this issue involve utilizing data warehousing, data integration tools, data standardization, and business intelligence tools. However, these approaches primarily focus on the grammar and structure of the data and neglect the importance of semantic modeling and semantic standardization, which are essential for achieving data interoperability. In this session, the challenge of data silos in Industry 4.0 is addressed by developing a semantic modeling approach compliant with Asset Administration Shell (AAS) models as an efficient standard for communication in Industry 4.0. The paper highlights how our approach can facilitate the data mapping process and semantic lifting according to existing industry standards such as ECLASS and other industrial dictionaries. It also incorporates the Asset Administration Shell technology to model and map the company’s data and utilize a knowledge graph for data storage and exploration.

Keywords: data interoperability in industry 4.0, digital integration, industrial dictionary, semantic modeling

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Authors: T. Zergoug, S. E. H. Abaidia, A. Nedjar, M. Y. Mokeddem

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Physical properties of uranium di-nitride (UN2) were investigated in detail using first principles calculations based on density functional theory. To treat the strong correlation effects caused by 5f Uranium valence electrons, on-site Coulomb interaction correction via the Hubbard-like term, U (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard U is strong like Young modulus but for others it is weakly noticeable such as the density of state (DOS) or bulk modulus. We noticed also that up from U=7.5 eV, elastic results become not conform to the cubic cell elastic criteria since the C44 values turn out to be negative.

Keywords: uranium diNitride, UN2, DFT+U, elastic properties

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Authors: Lotfi O. Gargab, Ruichong R. Zhang

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A wave-based framework is presented for modeling seismic motion in multistory buildings and using measured response for system identification which can be utilized to extract important information regarding structure integrity. With one pair of building response at two locations, a generalized model response is formulated based on wave propagation features and expressed as frequency and time response functions denoted, respectively, as GFRF and GIRF. In particular, GIRF is fundamental in tracking arrival times of impulsive wave motion initiated at response level which is dependent on local model properties. Matching model and measured-structure responses can help in identifying model parameters and infer building properties. To show the effectiveness of this approach, the Millikan Library in Pasadena, California is identified with recordings of the Yorba Linda earthquake of September 3, 2002.

Keywords: system identification, continuous-discrete mass modeling, damage detection, post-earthquake

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Authors: Bendjaballah Malek; Makhlouf Mohammed Rabeh; Boukerche Imane; Benhamza Mohammed El Hocine

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In this study, chitosan was derived from Parapenaeus longirostris shrimp shells sourced from a local market in Annaba, eastern Algeria. The extraction process entailed four chemical stages: demineralization, deproteinization, decolorization, and deacetylation. The degree of deacetylation was calculated to be 80.86 %. The extracted chitosan was physically altered to synthesize chitosan beads and characterized via FTIR and XRD analysis. These beads were employed to eliminate cadmium ions from synthetic water. The batch adsorption process was optimized by analyzing the impact of contact time, pH, adsorbent dose, and temperature. The adsorption capacity of and Cd+2 on chitosan beads was found to be 6.83 mg/g and 7.94 mg/g, respectively. The kinetic adsorption of Cd+2 conformed to the pseudo-first-order model, while the isotherm study indicated that the Langmuir Isotherm model well described the adsorption of cadmium . A thermodynamic analysis demonstrated that the adsorption of Cd+2 on chitosan beads is spontaneous and exothermic.

Keywords: Cd, chitosan, chitosanbeds, bioadsorbent

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Authors: Maria Fontenele, Claude-Gilles Dussap, Vincent Dumouilla, Baptiste Boit

Abstract:

Roquette Frères is a producer of plant-based ingredients that employs many processes to extract relevant molecules and often transforms them through chemical and physical processes to create desired ingredients with specific functionalities. In this context, Roquette encounters numerous multi-component complex systems in their processes, including fibers, proteins, and carbohydrates, in an aqueous environment. To develop, control, and optimize both new and old processes, Roquette aims to develop new in silico tools. Currently, Roquette uses process modelling tools which include specific thermodynamic models and is willing to develop computational methodologies such as molecular dynamics simulations to gain insights into the complex interactions in such complex media, and especially hydrogen bonding interactions. The issue at hand concerns aqueous mixtures of polyols with high dry matter content. The polyols mannitol and sorbitol molecules are diastereoisomers that have nearly identical chemical structures but very different physicochemical properties: for example, the solubility of sorbitol in water is 2.5 kg/kg of water, while mannitol has a solubility of 0.25 kg/kg of water at 25°C. Therefore, predicting liquid-solid equilibrium properties in this case requires sophisticated solution models that cannot be based solely on chemical group contributions, knowing that for mannitol and sorbitol, the chemical constitutive groups are the same. Recognizing the significance of solvation phenomena in polyols, the GePEB (Chemical Engineering, Applied Thermodynamics, and Biosystems) team at Institut Pascal has developed the COSMO-UCA model, which has the structural advantage of using quantum mechanics tools to predict formation and phase equilibrium properties. In this work, we use molecular dynamics simulations to elucidate the behavior of polyols in aqueous solution. Specifically, we employ simulations to compute essential metrics such as radial distribution functions and hydrogen bond autocorrelation functions. Our findings illuminate a fundamental contrast: sorbitol and mannitol exhibit disparate hydrogen bond lifetimes within aqueous environments. This observation serves as a cornerstone in elucidating the divergent physicochemical properties inherent to each compound, shedding light on the nuanced interplay between their molecular structures and water interactions. We also present a methodology to predict the physicochemical properties of complex solutions, taking as sole input the three-dimensional structure of the molecules in the medium. Finally, by developing knowledge models, we represent some physicochemical properties of aqueous solutions of sorbitol and mannitol.

Keywords: COSMO models, hydrogen bond, molecular dynamics, thermodynamics

Procedia PDF Downloads 36

Authors: Elhameh Narimani, Mikhail Sorin, Philippe Micheau, Hakim Nesreddine

Abstract:

Numerical models of the heat exchangers in ejector refrigeration system (ERS) were developed and validated with the experimental data. The models were based on the switched heat exchangers model using the moving boundary method, which were capable of estimating the zones’ lengths, the outlet temperatures of both sides and the heat loads at various experimental points. The developed models were utilized to investigate the influence of the primary flow pressure on the performance of an R245fa ERS based on its coefficient of performance (COP) and exergy efficiency. It was illustrated numerically and proved experimentally that increasing the primary flow pressure slightly reduces the COP while the exergy efficiency goes through a maximum before decreasing.

Keywords: Coefficient of Performance, COP, Ejector Refrigeration System, ERS, exergy efficiency (ηII), heat exchangers modeling, moving boundary method

Procedia PDF Downloads 194

Authors: A. Assif

Abstract:

This paper presents the modeling of a prototype distribution static compensator (D-STATCOM) for voltage sag and swell mitigation in an unbalanced distribution system. Here the concept that an inverter can be used as generalized impedance converter to realize either inductive or capacitive reactance has been used to mitigate power quality issues of distribution networks. The D-STATCOM is here supposed to replace the widely used StaticVar Compensator (SVC). The scheme is based on the Voltage Source Converter (VSC) principle. In this model PWM based control scheme has been implemented to control the electronic valves of VSC. Phase shift control Algorithm method is used for converter control. The D-STATCOM injects a current into the system to mitigate the voltage sags. In this paper the modeling of D¬STATCOM has been designed using MATLAB SIMULINIC. Accordingly, simulations are first carried out to illustrate the use of D-STATCOM in mitigating voltage sag in a distribution system. Simulation results prove that the D-STATCOM is capable of mitigating voltage sag as well as improving power quality of a system.

Keywords: D-STATCOM, voltage sag, voltage source converter (VSC), phase shift control

Procedia PDF Downloads 336

Authors: Tolga Barisik, Ali Fuat Guneri, K. Dastan

Abstract:

Major industrial facilities have a high potential for fire risk. In particular, the indices used for the detection of hidden fire are used very effectively in order to prevent the fire from becoming dangerous in the initial stage. These indices provide the opportunity to prevent or intervene early by determining the stage of the fire, the potential for hazard, and the type of the combustion agent with the percentage values of the ambient air components. In this system, artificial neural network will be modeled with the input data determined using the Levenberg-Marquardt algorithm, which is a multi-layer sensor (CAA) (teacher-learning) type, before modeling the modeling methods in the literature. The actual values produced by the indices will be compared with the outputs produced by the network. Using the neural network and the curves to be created from the resulting values, the feasibility of performance determination will be investigated.

Keywords: artifical neural networks, fire, Graham Index, levenberg-marquardt algoritm, oxygen decrease percentage index, risk assessment, Trickett Index

Procedia PDF Downloads 131