Search results for: simulation of total-reflux distillation column

Authors: Thomas M. Prinz Wilhelm R. Rossak, Kai Gebhardt

Abstract:

A straightforward and intuitive combination of single simulations into an aggregated master-simulation is not trivial. There are lots of problems, which trigger-specific difficulties during the modeling and execution of such a simulation. In this paper we identify these problems and aim to solve them by mapping the task to the field of multi agent systems. The solution is a new meta-model named AGENTMAP, which is able to mitigate most of the problems and to support intuitive modeling at the same time. This meta-model will be introduced and explained on basis of an example from the e-commerce domain.

Keywords: Multi Agent System, Agent-based Simulation, Distributed Systems, Meta-models.

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Authors: Ciprian Dobre

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The scale, complexity and worldwide geographical spread of the LHC computing and data analysis problems are unprecedented in scientific research. The complexity of processing and accessing this data is increased substantially by the size and global span of the major experiments, combined with the limited wide area network bandwidth available. We present the latest generation of the MONARC (MOdels of Networked Analysis at Regional Centers) simulation framework, as a design and modeling tool for large scale distributed systems applied to HEP experiments. We present simulation experiments designed to evaluate the capabilities of the current real-world distributed infrastructure to support existing physics analysis processes and the means by which the experiments bands together to meet the technical challenges posed by the storage, access and computing requirements of LHC data analysis within the CMS experiment.

Keywords: Modeling and simulation, evaluation, large scale distributed systems, LHC experiments, CMS.

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Authors: Yin Yin Phyo, Tun Lin Naing

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This paper investigated the simulation of two-phase interleaved boost converter (IBC) with free and open-source software Scilab/Xcos. By using interleaved method, it can reduce current stress on components, components size, input current ripple and output voltage ripple. The required mathematical model is obtained from the equivalent circuit of its different four modes of operation for simulation. The equivalent circuits are considered in continuous conduction mode (CCM). The average values of the system variables are derived from the state-space equation to find the equilibrium point. Scilab is now becoming more and more popular among students, engineers and scientists because it is open-source software and free of charge. It gives a great convenience because it has powerful computation and simulation function. The waveforms of output voltage, input current and inductors current are obtained by using Scilab/Xcos.

Keywords: Two-phase boost converter, continuous conduction mode, free and open-source, interleaved method, dynamic simulation.

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Authors: V. Ten

Abstract:

An approach of design of stable of control systems with ultimately wide ranges of uncertainly disturbed parameters is offered. The method relies on using of nonlinear structurally stable functions from catastrophe theory as controllers. Theoretical part presents an analysis of designed nonlinear second-order control systems. As more important the integrators in series, canonical controllable form and Jordan forms are considered. The analysis resumes that due to added controllers systems become stable and insensitive to any disturbance of parameters. Experimental part presents MATLAB simulation of design of control systems of epidemic spread, aircrafts angular motion and submarine depth. The results of simulation confirm the efficiency of offered method of design. KeywordsCatastrophes, robust control, simulation, uncertain parameters.

Keywords: Catastrophes, robust control, simulation, uncertain parameters.

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Authors: Weiwen Li, Hao Huang, Chengmao You, Jianji Liao, Lei Wang, Lina An

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Zooplankton are a central issue in the ecology which makes a great contribution to maintaining the balance of an ecosystem. It is critical in promoting the material cycle and energy flow within the ecosystems. A generalized additive model (GAM) was applied to analyze the relationships between the density (individuals per m³) of zooplankton and other variables in West Daya Bay. All data used in this analysis (the survey month, survey station (longitude and latitude), the depth of the water column, the superficial concentration of chlorophyll a, the benthonic concentration of chlorophyll a, the number of zooplankton species and the number of zooplankton species) were collected through monthly scientific surveys during January to December 2016. GLM model (generalized linear model) was used to choose the significant variables’ impact on the density of zooplankton, and the GAM was employed to analyze the relationship between the density of zooplankton and the significant variables. The results showed that the density of zooplankton increased with an increase of the benthonic concentration of chlorophyll a, but decreased with a decrease in the depth of the water column. Both high numbers of zooplankton species and the overall total number of zooplankton individuals led to a higher density of zooplankton.

Keywords: Density, generalized linear model, generalized additive model, the West Daya Bay, zooplankton.

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Authors: S. Wagner, C. Boley, Y. Forouzandeh

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When digging excavations, groundwater bearing layers are often encountered. In order to allow anhydrous excavation, soil groutings are carried out, which form a water-impermeable layer. As it is injected into groundwater areas, the effects of the materials used on the environment must be known. Developing an eco-friendly, economical and low viscous acrylic gel which has a sealing effect on groundwater is therefore a significant task. At this point the study begins. Basic investigations with the rheometer and a reverse column experiment have been performed with different mixing ratios of an acrylic gel. A dynamic rheology study was conducted to determine the time at which the gel still can be processed and the maximum gel strength is reached. To examine the effect of acrylic gel grouting on determine the parameters pH value, turbidity, electric conductivity, and total organic carbon on groundwater, an acrylic gel was injected in saturated sand filled the column. The structure was rinsed with a constant flow and the eluate was subsequently examined. The results show small changes in pH values and turbidity but there is a dependency between electric conductivity and total organic carbon. The curves of the two parameters react at the same time, which means that the electrical conductivity in the eluate can be measured constantly until the maximum is reached and only then must total organic carbon (TOC) samples be taken.

Keywords: Acrylic gel grouting, dynamic rheology study, electric conductivity, total organic carbon.

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Authors: Teguh Sudibyo, Cheng-Cheng Chen

Abstract:

Eight steel reinforced concrete beams (SRC), were fabricated and tested under earthquake type cyclic loading. The effectiveness of intermediate stiffeners, such as mid-span stiffener and plastic hinge zone stiffeners, in enhancing composite action and ductility of SRC beams was investigated. The effectiveness of strengthened beam-to-column (SBC) and weakened beam-to-column (WBC) connections in enhancing beam ductility was also studied. It was found that: (1) All the specimens possessed fairly high flexural ductility and were found adequate for structures in high seismic zones. (2) WBC connections induced stress concentration which caused extra damage to concrete near the flange tapering zone. This extra damage inhibited the flexural strength development and the ductility of the specimens with WBC connections to some extent. (3) Specimens with SBC connections demonstrated higher flexural strength and ductility compared to specimens with WBC connections. (4) The intermediate stiffeners, especially combination of plastic hinge zone stiffener and mid span stiffeners, have an obvious effect in enhancing the ductility of the beams with SBC connection.

Keywords: Composite beam, concrete encased steel beam, steel reinforced concrete, stiffeners.

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Authors: Chengfeng Fang, Mohamed Ali Sadakkathulla, Abdul Sheikh

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Ultra-high-performance fiber reinforced concrete (UHPFRC) is a specially formulated cement-based composite characterized with an ultra-high compressive strength (f_c^’ = 240 MPa) and a low water-cement ratio (W/B= 0.2). With such material characteristics, UHPFRC is favored for the design and constructions of structures required high structural performance and slender geometries. Unlike conventional concrete, the structural performance of members manufactured with UHPFRC has not yet been fully studied, particularly, for UHPFRC columns with high slenderness. In this study, the behaviors of slender UHPFRC columns under concentric or eccentric load will be investigated both experimentally and numerically. Four slender UHPFRC columns were tested under eccentric loads with eccentricities, of 0 mm, 35 mm, 50 mm, and 85 mm, respectively, and one UHPFRC beam was tested under four-point bending. Finite element (FE) analysis was conducted with concrete damage plasticity (CDP) modulus to simulating the load-middle height or middle span deflection relationships and damage patterns of all UHPFRC members. Simulated results were compared against the experimental results and observation to gain the confidence of FE model, and this model was further extended to conduct parametric studies, which aim to investigate the effects of slenderness regarding failure modes and load-moment interaction relationships. Experimental results showed that the load bearing capacities of the slender columns reduced with an increase in eccentricity. Comparisons between load-middle height and middle span deflection relationships as well as damage patterns of all UHPFRC members obtained both experimentally and numerically demonstrated high accuracy of the FE simulations. Based on the available FE model, the following parametric study indicated that a further increase in the slenderness of column resulted in significant decreases in the load-bearing capacities, ductility index, and flexural bending capacities.

Keywords: Eccentric loads, ductility index, RC column, slenderness, UHPFRC.

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Authors: F. Rahimi Dehgolan, M. Behzadi, J. Fathi Sola

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In this article, the Johnson-Cook material model’s constants for structural steel ST.37 have been determined by a method which integrates experimental tests, numerical simulation, and optimization. In the first step, a quasi-static test was carried out on a plain specimen. Next, the constants were calculated for it by minimizing the difference between the results acquired from the experiment and numerical simulation. Then, a quasi-static tension test was performed on three notched specimens with different notch radii. At last, in order to verify the results, they were used in numerical simulation of notched specimens and it was observed that experimental and simulation results are in good agreement. Changing the diameter size of the plain specimen in the necking area was set as the objective function in the optimization step. For final validation of the proposed method, diameter variation was considered as a parameter and its sensitivity to a change in any of the model constants was examined and the results were completely corroborating.

Keywords: Constants, Johnson-Cook material model, notched specimens, quasi-static test, sensitivity.

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Authors: S. Yodyingyong, C. Chaichana, C. Nuchsuk, S. Roytrakul, N. P. T-Thienprasert, S. Ratanapo

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Protein hydrolysates prepared from a number of medicinal plants are promising sources of various bioactive peptides. In this work, proteins from dried whole plant of Euphorbia hirta Linn. were extracted and digested with pepsin for 12h. The hydrolysates of lesser than 3 KDa were fractionated by a cut-off membrane. The peptide hydrolysate was then purified by an anion-exchange chromatography on DEAE-Sephacel™ column and reverse-phase chromatography on Sep-pak C₁₈ column, respectively. The cytotoxic effect of each peptide fraction against a gastric carcinoma cell line (KATO-III, ATCC No. HTB103) was investigated using colorimetric MTT viability assay. A human liver cell line (Chang Liver, CLS No. 300139) was used as a control normal cell line. Two purified peptide peaks, peak l and peak ll at 100µg peptides mL^-1 affected cell viability of the gastric cancer cell lines to 63.85±4.94 and 66.92±6.46%, respectively. Our result showed for the first time that the peptide fractions derived from protein hydrolysate of Euphorbia hirta Linn. have anti-gastric cancer activity, which offers a potential novel and natural anti-gastric cancer remedy.

Keywords: Cytotoxic, peptides, Euphorbia hirta Linn., gastric carcinoma.

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Authors: Narcis C. Ostahie, Tudor Sajin

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In this paper a numerical simulation of electric and hydrodynamic fields distribution in an electrofilter for dielectric liquids cell is made. The simulation is made with the purpose to determine the trajectory of particles that moves under the action of external force in an electric and hydrodynamic field created inside of an electrofilter for dielectric liquids. Particle trajectory is analyzed for a dielectric liquid-solid particles suspension.

Keywords: Dielectric liquids, electrohydrodynamics, energy, high voltage, particles

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Authors: Mohamad Mahdavi

Abstract:

Most of the real queuing systems include special properties and constraints, which can not be analyzed directly by using the results of solved classical queuing models. Lack of Markov chains features, unexponential patterns and service constraints, are the mentioned conditions. This paper represents an applied general algorithm for analysis and optimizing the queuing systems. The algorithm stages are described through a real case study. It is consisted of an almost completed non-Markov system with limited number of customers and capacities as well as lots of common exception of real queuing networks. Simulation is used for optimizing this system. So introduced stages over the following article include primary modeling, determining queuing system kinds, index defining, statistical analysis and goodness of fit test, validation of model and optimizing methods of system with simulation.

Keywords: Estimation, queuing system, simulation model, probability distribution, non-Markov chain.

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Authors: Nicoletta Adamo-Villani, Gerardo Beni, Jeremy White

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We introduce, a new interactive 3D simulation system of ocular motion and expressions suitable for: (1) character animation applications to game design, film production, HCI (Human Computer Interface), conversational animated agents, and virtual reality; (2) medical applications (ophthalmic neurological and muscular pathologies: research and education); and (3) real time simulation of unconscious cognitive and emotional responses (for use, e.g., in psychological research). The system is comprised of: (1) a physiologically accurate parameterized 3D model of the eyes, eyelids, and eyebrow regions; and (2) a prototype device for realtime control of eye motions and expressions, including unconsciously produced expressions, for application as in (1), (2), and (3) above. The 3D eye simulation system, created using state-of-the-art computer animation technology and 'optimized' for use with an interactive and web deliverable platform, is, to our knowledge, the most advanced/realistic available so far for applications to character animation and medical pedagogy.

Keywords: 3D animation, HCI, medical simulation, ocularmotion and expression.

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Authors: Moch. Agus Choiron, Yoshihiro Kurata, Shigeyuki Haruyama, Ken Kaminishi

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The contact width is important design parameter for optimizing the design of new metal gasket for asbestos substitution gasket. The contact width is found have relationship with the helium leak quantity. In the increasing of axial load value, the helium leak quantity is decreasing and the contact width is increasing. This study provides validity method using simulation analysis and the result is compared to experimental using pressure sensitive paper. The results denote similar trend data between simulation and experimental result. Final evaluation is determined by helium leak quantity to check leakage performance of gasket design. Considering the phenomena of position change on the convex contact, it can be developed the optimization of gasket design by increasing contact width.

Keywords: contact width, simulation, pressure sensitive paper.

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Authors: Reza Ziaie Moayed, Ehsan Azini

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Jet grouting (JG) is one of the methods of improving and increasing the strength and bearing of soil in which the high pressure water or grout is injected through the nozzles into the soil. During this process, a part of the soil and grout particles comes out of the drill borehole, and the other part is mixed up with the grout in place, as a result of this process, a mass of modified soil is created. The purpose of this method is to change the soil into a mixture of soil and cement, commonly known as "soil-cement". In this paper, first, the principles of high pressure injection and then the effective parameters in the JG method are described. Then, the tests on the samples taken from the columns formed from the excavation around the soil-cement columns, as well as the static loading test on the created column, are discussed. In the other part of this paper, the soil behavior models for numerical modeling in PLAXIS software are mentioned. The purpose of this paper is to evaluate the results of numerical modeling based on in-situ static loading tests. The results indicate an acceptable agreement between the results of the tests mentioned and the modeling results. Also, modeling with this software as an appropriate option for technical feasibility can be used to soil improvement using JG.

Keywords: Jet grouting column, Soil improvement, Numerical modeling, In-situ loading test.

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Authors: Belkacem Chikhaoui, Helene Pigot, Mathieu Beaudoin, Guillaume Pratte, Philippe Bellefeuille, Fernando Laudares

Abstract:

The way music is interpreted by the human brain is a very interesting topic, but also an intricate one. Although this domain has been studied for over a century, many gray areas remain in the understanding of music. Recent advances have enabled us to perform accurate measurements of the time taken by the human brain to interpret and assimilate a sound. Cognitive computing provides tools and development environments that facilitate human cognition simulation. ACT-R is a cognitive architecture which offers an environment for implementing human cognitive tasks. This project combines our understanding of the music interpretation by a human listener and the ACT-R cognitive architecture to build SINGER, a computerized simulation for listening and recalling songs. The results are similar to human experimental data. Simulation results also show how it is easier to remember short melodies than long melodies which require more trials to be recalled correctly.

Keywords: Computational model, cognitive modeling, simulation, learning, song, music.

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Authors: M. Elkhoury

Abstract:

A recently developed one-equation turbulence model has been successfully applied to simulate turbulent flows with various complexities. The model, which is based on the transformation of the k-ε closure, is wall-distance free and equipped with lagging destruction/dissipation terms. Test cases included shockboundary- layer interaction flows over the NACA 0012 airfoil, an axisymmetric bump, and the ONERA M6 wing. The capability of the model to operate in a Scale Resolved Simulation (SRS) mode is demonstrated through the simulation of a massive flow separation over a circular cylinder at Re= 1.2 x106. An assessment of the results against available experiments Menter (k-ε)1Eq and the Spalart- Allmaras model that belongs to the single equation closure family is made.

Keywords: Turbulence modeling, complex flow simulation, scale adaptive simulation, one-equation turbulence model.

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Authors: David J. Chato, John B. McQuillen, Brian J.Motil, David F. Chao, Nengli Zhang

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In order to better understand the performance of screen channel liquid acquisition devices (LADs) in liquid oxygen (LOX), a computational fluid dynamics (CFD) simulation of LOX passing through a LAD screen channel was conducted. In the simulation, the screen is taken as a 'porous jump' where the pressure drop across the screen depends on the incoming velocity and is formulated by Δp = Av + Bv2 . The CFD simulation reveals the importance of the pressure losses due to the flow entering from across the screen and impacting and merging with the channel flow and the vortices in the channel to the cumulative flow resistance. In fact, both the flow resistance of flows impact and mergence and the resistance created by vortices are much larger than the friction and dynamic pressure losses in the channel and are comparable to the flow resistance across the screen. Therefore, these resistances in the channel must be considered as part of the evaluation for the LAD channel performance. For proper operation of a LAD in LOX these resistances must be less than the bubble point pressure for the screen channel in LOX. The simulation also presents the pressure and velocity distributions within the LAD screen channel, expanding the understanding of the fluid flow characteristics within the channel.

Keywords: Liquid acquisition devices, liquid oxygen, pressure drop, vortex, bubble point, flow rate limitation.

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Authors: Batin Latif Aylak, Bernd Noche, M. Baran Cantepe, Aydin Karakaya

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Ultra-light overhead conveyor systems are rope-based conveying systems with individually driven vehicles. The vehicles can move automatically on the rope and this can be realized by energy and signals. The ultra-light overhead conveyor systems always must be integrated with a logistical process by finding a best way for a cheaper material flow in order to guarantee precise and fast workflows. This paper analyzes the process of an ultra-light overhead conveyor system using necessary assumptions. The analysis consists of three scenarios. These scenarios are based on raising the vehicle speeds with equal increments at each case. The correlation between the vehicle speed and system throughput is investigated. A discrete-event simulation model of an ultra-light overhead conveyor system is constructed using DOSIMIS-3 software to implement three scenarios. According to simulation results; the optimal scenario, hence the optimal vehicle speed, is found out among three scenarios. This simulation model demonstrates the effect of increased speed on the system throughput.

Keywords: Logistics, material flow, simulation, ultra-light overhead conveyor.

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Authors: Pierre Kancir, Jean-Philippe Diguet, Marc Sevaux

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One of the main difficulties in developing multi-robot systems (MRS) is related to the simulation and testing tools available. Indeed, if the differences between simulations and real robots are too significant, the transition from the simulation to the robot won’t be possible without another long development phase and won’t permit to validate the simulation. Moreover, the testing of different algorithmic solutions or modifications of robots requires a strong knowledge of current tools and a significant development time. Therefore, the availability of tools for MRS, mainly with flying drones, is crucial to enable the industrial emergence of these systems. This research aims to present the most commonly used tools for MRS simulations and their main shortcomings and presents complementary tools to improve the productivity of designers in the development of multi-vehicle solutions focused on a fast learning curve and rapid transition from simulations to real usage. The proposed contributions are based on existing open source tools as Gazebo simulator combined with ROS (Robot Operating System) and the open-source multi-platform autopilot ArduPilot to bring them to a broad audience.

Keywords: ROS, ArduPilot, MRS, simulation, drones, Gazebo.

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Authors: Ainul Akmar Mokhtar, Masdi Muhammad, Hilmi Hussin, Mohd Amin Abdul Majid

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A reliability, availability and maintainability (RAM) model has been built for acid gas removal plant for system analysis that will play an important role in any process modifications, if required, for achieving its optimum performance. Due to the complexity of the plant, the model was based on a Reliability Block Diagram (RBD) with a Monte Carlo simulation engine. The model has been validated against actual plant data as well as local expert opinions, resulting in an acceptable simulation model. The results from the model showed that the operation and maintenance can be further improved, resulting in reduction of the annual production loss.

Keywords: Acid gas removal plant, RAM model, Reliabilityblock diagram

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Authors: Zasiah Tafheem, Mahadee Hasan Shourav, Zahidul Islam, Saima Islam Tumpa

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The paper aims at investigating the effect of number of story on different structural components of reinforced concrete building due to gravity and lateral loading. For the study, three building models having same building plan of three, six and nine stories are analyzed and designed using software package. All the buildings are residential and are located in Dhaka city of Bangladesh. Lateral load including wind and earthquake loading are applied to the building along both longitudinal and transverse direction as per Bangladesh National Building Code (BNBC, 2006). Equivalent static force method is followed for the applied seismic loading. The present study investigates as well as compares mainly total steel requirement in different structural components for those buildings. It has been found that total longitudinal steel requirement for beams at each floor is 48.57% for three storied building, 61.36% for six storied building when the total percentage is taken as 100% in case of nine storied building. For an exterior column, the steel ratio is 2.1%, 3.06%, 4.55% for three, six and nine storied building respectively for the first three floors. In addition, it has been noted that total weight of longitudinal reinforcement of an interior column is 14.02 % for threestoried building and 43.12% for six storied building when the total reinforcement is considered 100% for nine storied building for the first three floors.

Keywords: Equivalent Static Force Method, longitudinal reinforcement, seismic loading, steel ratio.

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Authors: Xiaodong Gao, Pingchuan Dong, Qichao Gao

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This work attempts to predict the deposition rate of asphaltene particles in blockage tube through CFD simulation. The Euler-Lagrange equation has been applied during the flow of crude oil and asphaltene particles. The net gravitational force, virtual mass, pressure gradient, Saffman lift, and drag forces are incorporated in the simulations process. Validation of CFD simulation results is compared to the benchmark experiments from the previous literature. Furthermore, the effects of blockage location, blockage length, and blockage thickness on deposition rate are also analyzed. The simulation results indicate that the maximum deposition rate of asphaltene occurs in the blocked tube section, and the greater the deposition thickness, the greater the deposition rate. Moreover, the deposition amount and maximum deposition rate along the length of the tube have the same trend. Results of this study are in the ability to better understand the deposition of asphaltene particles in production and help achieve to deal with the asphaltene challenges.

Keywords: Asphaltene deposition rate, blockage length, blockage thickness, blockage diameter, transient condition.

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Authors: Kong Fah Tee, Lutfor Rahman Khan, Hongshuang Li

Abstract:

An advanced Monte Carlo simulation method, called Subset Simulation (SS) for the time-dependent reliability prediction for underground pipelines has been presented in this paper. The SS can provide better resolution for low failure probability level with efficient investigating of rare failure events which are commonly encountered in pipeline engineering applications. In SS method, random samples leading to progressive failure are generated efficiently and used for computing probabilistic performance by statistical variables. SS gains its efficiency as small probability event as a product of a sequence of intermediate events with larger conditional probabilities. The efficiency of SS has been demonstrated by numerical studies and attention in this work is devoted to scrutinise the robustness of the SS application in pipe reliability assessment. It is hoped that the development work can promote the use of SS tools for uncertainty propagation in the decision-making process of underground pipelines network reliability prediction.

Keywords: Underground pipelines, Probability of failure, Reliability and Subset Simulation.

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Authors: Young-Jin Baik, Minsung Kim, Young-Soo Lee, Ki-Chang Chang, Seong-Ryong Park

Abstract:

The compression-absorption heat pump (C-A HP), one of the promising heat recovery equipments that make process hot water using low temperature heat of wastewater, was evaluated by computer simulation. A simulation program was developed based on the continuity and the first and second laws of thermodynamics. Both the absorber and desorber were modeled using UA-LMTD method. In order to prevent an unfeasible temperature profile and to reduce calculation errors from the curved temperature profile of a mixture, heat loads were divided into lots of segments. A single-stage compressor was considered. A compressor cooling load was also taken into account. An isentropic efficiency was computed from the map data. Simulation conditions were given based on the system consisting of ordinarily designed components. The simulation results show that most of the total entropy generation occurs during the compression and cooling process, thus suggesting the possibility that system performance can be enhanced if a rectifier is introduced.

Keywords: Waste heat recovery, Heat Pump.

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Authors: Lei Zhang, Wen-jun Ruan, Hao Wang, Peng-xin Wang

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The source of the jet noise is generated by rocket exhaust plume during rocket engine testing. A domain decomposition approach is applied to the jet noise prediction in this paper. The aerodynamic noise coupling is based on the splitting into acoustic sources generation and sound propagation in separate physical domains. Large Eddy Simulation (LES) is used to simulate the supersonic jet flow. Based on the simulation results of the flow-fields, the jet noise distribution of the sound pressure level is obtained by applying the Ffowcs Williams-Hawkings (FW-H) acoustics equation and Fourier transform. The calculation results show that the complex structures of expansion waves, compression waves and the turbulent boundary layer could occur due to the strong interaction between the gas jet and the ambient air. In addition, the jet core region, the shock cell and the sound pressure level of the gas jet increase with the nozzle size increasing. Importantly, the numerical simulation results of the far-field sound are in good agreement with the experimental measurements in directivity.

Keywords: Supersonic gas jet, Large Eddy Simulation(LES), acoustic noise, Ffowcs Williams-Hawkings (FW-H) equations, nozzle size.

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Authors: S. Sfarni, E. Bellenger, J. Fortin, M. Guessasma

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The use of the mechanical simulation (in particular the finite element analysis) requires the management of assumptions in order to analyse a real complex system. In finite element analysis (FEA), two modeling steps require assumptions to be able to carry out the computations and to obtain some results: the building of the physical model and the building of the simulation model. The simplification assumptions made on the analysed system in these two steps can generate two kinds of errors: the physical modeling errors (mathematical model, domain simplifications, materials properties, boundary conditions and loads) and the mesh discretization errors. This paper proposes a mesh adaptive method based on the use of an h-adaptive scheme in combination with an error estimator in order to choose the mesh of the simulation model. This method allows us to choose the mesh of the simulation model in order to control the cost and the quality of the finite element analysis.

Keywords: Finite element, discretization errors, adaptivity.

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Authors: Yanqin Chen, Chao Jiang, Chongdu Cho

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This research presents the three-dimensional mechanical characteristics of a commercial gas diffusion layer by experiment and simulation results. Although the mechanical performance of gas diffusion layers has attracted much attention, its reliability and accuracy are still a major challenge. With the help of simulation analysis methods, it is beneficial to the gas diffusion layer’s extensive commercial development and the overall stress analysis of proton electrolyte membrane fuel cells during its pre-production design period. Therefore, in this paper, a three-dimensional constitutive model of a commercial gas diffusion layer, including its material stiffness matrix parameters, is developed and coded, in the user-defined material model of a commercial finite element method software for simulation. Then, the model is validated by comparing experimental results as well as simulation outcomes. As a result, both the experimental data and simulation results show a good agreement with each other, with high accuracy.

Keywords: Gas diffusion layer, proton electrolyte membrane fuel cell, stiffness matrix, three-dimensional mechanical characteristics, user-defined material model.

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Authors: Minky Son, Chanin Park, Ayoung Baek, Shalini John, Keun Woo Lee

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3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR) catalyzes the conversion of HMG-CoA to mevalonate using NADPH and the enzyme is involved in rate-controlling step of mevalonate. Inhibition of HMGR is considered as effective way to lower cholesterol levels so it is drug target to treat hypercholesterolemia, major risk factor of cardiovascular disease. To discover novel HMGR inhibitor, we performed structure-based pharmacophore modeling combined with molecular dynamics (MD) simulation. Four HMGR inhibitors were used for MD simulation and representative structure of each simulation were selected by clustering analysis. Four structure-based pharmacophore models were generated using the representative structure. The generated models were validated used in virtual screening to find novel scaffolds for inhibiting HMGR. The screened compounds were filtered by applying drug-like properties and used in molecular docking. Finally, four hit compounds were obtained and these complexes were refined using energy minimization. These compounds might be potential leads to design novel HMGR inhibitor.

Keywords: Anti-hypercholesterolemia drug, HMGR inhibitor, Molecular dynamics simulation, Structure-based pharmacophore modeling.

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Authors: Ishtiaq A. Chaudhry, Zia R Tahir, F. A. Siddiqui, F. Noor, M. J. Rashid

Abstract:

It has experimentally been proved that the performance of compression ignition (C.I.) engine is spray characteristics related. In modern diesel engine the spray formation and the eventual combustion process are the vital processes that offer more challenges towards enhancing the engine performance. In the present work the numerical simulation has been carried out for evaporating diesel sprays using Fluent software. For computational fluid dynamics simulation “Meshing” is done using Gambit software before transmitting it into Fluent. The simulation is carried out using hot bomb conditions under varying chamber conditions such as gas pressure, nozzle diameter and fuel injection pressure. For comparison purpose, the numerical simulations the chamber conditions were kept the same as that of the experimental data. At varying chamber conditions the spray penetration rates are compared with the existing experimental results.

Keywords: Evaporating diesel sprays, Penetration rates, Hot bomb conditions.

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