Search results for: Computational fluids dynamics

Authors: Helena M. Wilhelm, Paulo O. Fernandes, Laís P. Dill, Kethlyn G. Moscon

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The use of vegetable oil (or natural ester) as an insulating fluid in electrical transformers is a trend that aims to contribute to environmental preservation since it is biodegradable and non-toxic. Besides, vegetable oil has high flash and combustion points, being considered a fire safety fluid. However, vegetable oil is usually less stable towards oxidation than mineral oil. Both insulating fluids, mineral and vegetable oils, need to be tested periodically according to specific standards. Oxidation stability can be determined by the induction period measured by conductivity method (Rancimat) by monitoring the effectivity of oil’s antioxidant additives, a methodology already developed for food application and biodiesel but still not standardized for insulating fluids. Besides adequate oxidation stability, fluids must be compatible with transformer's construction materials under normal operating conditions to ensure that damage to the oil and parts of the transformer does not occur. ASTM standard and Brazilian normative differ in parameters evaluated, which reveals the need to regulate tests for each oil type. The aim of this study was to assess oxidation stability and compatibility of vegetable oils to suggest the best way to assure a viable performance of vegetable oil as transformer insulating fluid. The determination of the induction period for several vegetable insulating oils from the local market by using Rancimat was carried out according to BS EN 14112 standard, at different temperatures (110, 120, and 130 °C). Also, the compatibility of vegetable oil was assessed according to ASTM and ABNT NBR standards. The main results showed that the best temperature for use in the Rancimat test is 130 °C, which allows a better observation of conductivity change. The compatibility test results presented differences between vegetable and mineral oil standards that should be taken into account in oil testing since materials compatibility and oxidation stability are essential for equipment reliability.

Keywords: Compatibility, Rancimat, natural ester, vegetable oil.

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Authors: W. P. Hu, J. V. Kumar, Jeffrey J. P. Tsai

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The inhibition of SH2 domain regulated protein-protein interactions is an attractive target for developing an effective chemotherapeutic approach in the treatment of disease. Molecular simulation is a useful tool for developing new drugs and for studying molecular recognition. In this study, we searched potential drug compounds for the inhibition of SH2 domain by performing structural similarity search in PubChem Compound Database. A total of 37 compounds were screened from the database, and then we used the LibDock docking program to evaluate the inhibition effect. The best three compounds (AP22408, CID 71463546 and CID 9917321) were chosen for MD simulations after the LibDock docking. Our results show that the compound CID 9917321 can produce a more stable protein-ligand complex compared to other two currently known inhibitors of Src SH2 domain. The compound CID 9917321 may be useful for the inhibition of SH2 domain based on these computational results. Subsequently experiments are needed to verify the effect of compound CID 9917321 on the SH2 domain in the future studies.

Keywords: Nonpeptide inhibitor, Src SH2 domain, LibDock, molecular dynamics simulation.

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Authors: Andrew R.H. Rigit, Patrick T.K. Low

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Majority of pepper farmers in Malaysia are using the open-sun method for drying the pepper berries. This method is time consuming and exposed the berries to rain and contamination. A maintenance-friendly and properly enclosed dryer is therefore desired. A dryer design with a solar collector and a chimney was studied and adapted to suit the needs of small-scale pepper farmers in Malaysia. The dryer will provide an environment with an optimum operating temperature meant for drying pepper berries. The dryer model was evaluated by using commercially available computational fluid dynamic (CFD) software in order to understand the heat and mass transfer inside the dryer. Natural convection was the only mode of heat transportation considered in this study as in accordance to the idea of having a simple and maintenance-friendly design. To accommodate the effect of low buoyancy found in natural convection driers, a biomass burner was integrated into the solar dryer design.

Keywords: Computational fluid dynamics, heat and masstransfer, solar dryer.

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Authors: Mohammadreza Nezamirad, Nasim Sabetpour, Azadeh Yazdi, Amirmasoud Hamedi

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In this study OpenFOAM 4.4.2 was used to investigate flow inside the coronary artery of the heart. This step is the first step of our future project, which is to include conjugate heat transfer of the heart with three main coronary arteries. Three different velocities were used as inlet boundary conditions to see the effect of velocity increase on velocity, pressure, and wall shear of the coronary artery. Also, three different fluids, namely the University of Wisconsin solution, gelatin, and blood was used to investigate the effect of different fluids on flow inside the coronary artery. A code based on Reynolds Stress Navier Stokes (RANS) equations was written and implemented with the real boundary condition that was calculated based on MRI images. In order to improve the accuracy of the current numerical scheme, hex dominant mesh is utilized. When the inlet velocity increases to 0.5 m/s, velocity, wall shear stress, and pressure increase at the narrower parts.

Keywords: CFD, heart, simulation, OpenFOAM.

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Authors: Shidvash Vakilipour, Scott Ormiston, Masoud Mohammadi, Rouzbeh Riazi, Kimia Amiri, Sahar Barati

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Two-phase and multi-phase flows are common flow types in fluid mechanics engineering. Among the basic and applied problems of these flow types, two-phase parallel flow is the one that two immiscible fluids flow in the vicinity of each other. In this type of flow, fluid properties (e.g. density, viscosity, and temperature) are different at the two sides of the interface of the two fluids. The most challenging part of the numerical simulation of two-phase flow is to determine the location of interface accurately. In the present work, a coupled interface tracking algorithm is developed based on Arbitrary Lagrangian-Eulerian (ALE) approach using a cell-centered, pressure-based, coupled solver. To validate this algorithm, an analytical solution for fully developed two-phase flow in presence of gravity is derived, and then, the results of the numerical simulation of this flow are compared with analytical solution at various flow conditions. The results of the simulations show good accuracy of the algorithm despite using a nearly coarse and uniform grid. Temporal variations of interface profile toward the steady-state solution show that a greater difference between fluids properties (especially dynamic viscosity) will result in larger traveling waves. Gravity effect studies also show that favorable gravity will result in a reduction of heavier fluid thickness and adverse gravity leads to increasing it with respect to the zero gravity condition. However, the magnitude of variation in favorable gravity is much more than adverse gravity.

Keywords: Coupled solver, gravitational force, interface tracking, Reynolds number to Froude number, two-phase flow.

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Authors: Shun-Chang Chang

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In this paper, different nonlinear dynamics analysis techniques are employed to unveil the rich nonlinear phenomena of the electromagnetic system. In particular, bifurcation diagrams, time responses, phase portraits, Poincare maps, power spectrum analysis, and the construction of basins of attraction are all powerful and effective tools for nonlinear dynamics problems. We also employ the method of Lyapunov exponents to show the occurrence of chaotic motion and to verify those numerical simulation results. Finally, two cases of a chaotic electromagnetic system being effectively controlled by a reference signal or being synchronized to another nonlinear electromagnetic system are presented.

Keywords: bifurcation, Poincare map, Lyapunov exponent, chaotic motion.

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Authors: Etsuo Morishita

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This paper presents the project and experiment-based fluid dynamics education in Meisei University, a private institution in Tokyo, Japan. We pay attention not only to the basic engineering courses but also to the practical aspect of engineering experience. So, we prepare courses called the Projects from I to VI. The Projects I and II are designed for the first year, III and IV are designated for the second year, V and VI are prepared for the third year, respectively. Each supervisor is responsible for two of these projects every year. When students take the Project V and VI at the third year, we automatically assume that these students will join the lab of the project for the graduation thesis. We would like to show our experience in the Project I in the summer term, 2016. In this project, we introduce a traction flight vehicle called Cat Flyer. This is a kind of a kite towed by a car for example. This is very similar to parasailing, but flight is possible even on the roads. Experiments in mechanical engineering education are also very important, and we would like to explain our course on centrifugal pump, venture, and orifice. Although these are described in detail in the text books of fluid dynamics, it is still crucial to have practical experiments as a student.

Keywords: Aerodynamics, experiment, fluid dynamics, project.

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Authors: Hasimah Sapiri, Anton Abdulbasah Kamil, Razman Mat Tahar, Hanafi Tumin

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Salary risk and demographic risk have been identified as main risks in analyzing pension expenditure particularly in Defined Benefit pension plan. Therefore, public pension plan in Malaysia is studied to analyze pension expenditure due to salary and demographic risk. Through the literature review and interview session with several officers in public sector, factors affecting pension expenditure are determined. Then, the inter-relationships between these factors are analyzed through causal loop diagram. The System Dynamics model is later developed using iThink software to show how demographic and salary changes affect the pension expenditure. Then, by using actual data, the impact of different policy scenarios on pension expenditure is analyzed. It is shown that dynamics simulation model of pension expenditure is useful to evaluate the impact of changes and policy decisions on risk particularly involving demographic and salary risk.

Keywords: Demographic and Salary risk, Pension Expenditure, Public Policy, System Dynamics.

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Authors: M. Abdulkadir, V. Hernandez-Perez

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The characteristics of fluid flow and phase separation in an oil-water separator were numerically analysed as part of the work presented herein. Simulations were performed for different velocities and droplet diameters, and the way this parameters can influence the separator geometry was studied. The simulations were carried out using the software package Fluent 6.2, which is designed for numerical simulation of fluid flow and mass transfer. The model consisted of a cylindrical horizontal separator. A tetrahedral mesh was employed in the computational domain. The condition of two-phase flow was simulated with the two-fluid model, taking into consideration turbulence effects using the k-ε model. The results showed that there is a strong dependency of phase separation on mixture velocity and droplet diameter. An increase in mixture velocity will bring about a slow down in phase separation and as a consequence will require a weir of greater height. An increase in droplet diameter will produce a better phase separation. The simulations are in agreement with results reported in literature and show that CFD can be a useful tool in studying a horizontal oilwater separator.

Keywords: CFD, droplet diameter, mixture velocity

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Authors: B. Kiyani, R. H. Amiri, S. H. Hosseini, A. Bourouni, A. Karimi

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Nowadays, offshore's complicated facilities need their own communications requirements. Nevertheless, developing and real-world applications of new communications technology are faced with tremendous problems for new technology users, developers and implementers. Traditional systems engineering cannot be capable to develop a new technology effectively because it does not consider the dynamics of the process. This paper focuses on the design of a holistic model that represents the dynamics of new communication technology development within offshore industry. The model shows the behavior of technology development efforts. Furthermore, implementing this model, results in new and useful insights about the policy option analysis for developing a new communications technology in offshore industry.

Keywords: Technology development, Offshore industry, Systemdynamics, Voice Over IP.

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Authors: M. Rahimnejad, B. Vahidi, B. Ebrahimi Hoseinzadeh, F. Yazdian, P. Motamed Fath, R. Jamjah

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In this study, we developed and simulated nano-drug delivery systems efficacy in compare to free drug prescription. Computational models can be utilized to accelerate experimental steps and control the experiments high cost. Molecular dynamics simulation (MDS), in particular NAMD was utilized to better understand the anti-cancer drug interaction with cell membrane model. Paclitaxel (PTX) and dipalmitoylphosphatidylcholine (DPPC) were selected for the drug molecule and as a natural phospholipid nanocarrier, respectively. This work focused on two important interaction parameters between molecules in terms of center of mass (COM) and van der Waals interaction energy. Furthermore, we compared the simulation results of the PTX interaction with the cell membrane and the interaction of DPPC as a nanocarrier loaded by the drug with the cell membrane. The molecular dynamic analysis resulted in low energy between the nanocarrier and the cell membrane as well as significant decrease of COM amount in the nanocarrier and the cell membrane system during the interaction. Thus, the drug vehicle showed notably better interaction with the cell membrane in compared to free drug interaction with the cell membrane.

Keywords: Anti-cancer drug, center of Mass, interaction energy, molecular dynamics simulation, nanocarrier.

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Authors: Sharfi Dirar, Shihab Elhaj, Ahmed El Fatih

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Computational fluid dynamics were used to simulate and study the heated water boiler tube for both normal and rifled tube with a refinement of the mesh to check the convergence. The operation condition was taken from GARRI power station and used in a boundary condition accordingly. The result indicates the rifled tube has higher heat transfer efficiency than the normal tube.

Keywords: Boiler tube, Convergence Check, Normal Tube, Rifled Tube.

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Authors: R.Vinodha S. Abraham Lincoln, J. Prakash

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Multi-loop (De-centralized) Proportional-Integral- Derivative (PID) controllers have been used extensively in process industries due to their simple structure for control of multivariable processes. The objective of this work is to design multiple-model adaptive multi-loop PID strategy (Multiple Model Adaptive-PID) and neural network based multi-loop PID strategy (Neural Net Adaptive-PID) for the control of multivariable system. The first method combines the output of multiple linear PID controllers, each describing process dynamics at a specific level of operation. The global output is an interpolation of the individual multi-loop PID controller outputs weighted based on the current value of the measured process variable. In the second method, neural network is used to calculate the PID controller parameters based on the scheduling variable that corresponds to major shift in the process dynamics. The proposed control schemes are simple in structure with less computational complexity. The effectiveness of the proposed control schemes have been demonstrated on the CSTR process, which exhibits dynamic non-linearity.

Keywords: Multiple-model Adaptive PID controller, Multivariableprocess, CSTR process.

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Authors: Randhir Singh Baghel, Joydip Dhar, Renu Jain

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In this paper, for the understanding of the phytoplankton dynamics in marine ecosystem, a susceptible and an infected class of phytoplankton population is considered in spatiotemporal domain. Here, the susceptible phytoplankton is growing logistically and the growth of infected phytoplankton is due to the instantaneous Holling type-II infection response function. The dynamics are studied in terms of the local and global stabilities for the system and further explore the possibility of Hopf -bifurcation, taking the half saturation period as (i.e., ) the bifurcation parameter in temporal domain. It is also observe that the reaction diffusion system exhibits spatiotemporal chaos and pattern formation in phytoplankton dynamics, which is particularly important role play for the spatially extended phytoplankton system. Also the effect of the diffusion coefficient on the spatial system for both one and two dimensional case is obtained. Furthermore, we explore the higher-order stability analysis of the spatial phytoplankton system for both linear and no-linear system. Finally, few numerical simulations are carried out for pattern formation.

Keywords: Phytoplankton dynamics, Reaction-diffusion system, Local stability, Hopf-bifurcation, Global stability, Chaos, Pattern Formation, Higher-order stability analysis.

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Authors: S. Ali, M. Baccar

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In this work, numerical simulations were carried out using a specific CFD code in order to study the performance of an innovative Scraped Surface Heat Exchanger (SSHE) with helical ribbons for Bingham fluids (threshold fluids). The resolution of three-dimensional form of the conservation equations (continuity, momentum and energy equations) was carried out basing on the finite volume method (FVM). After studying the effect of dimensionless numbers (axial Reynolds, rotational Reynolds and Oldroyd numbers) on the hydrodynamic and thermal behaviors within SSHE, a parametric study was developed, by varying the width of the helical ribbon, the clearance between the stator wall and the tip of the ribbon and the number of turns of the helical ribbon, in order to improve the heat transfer inside the exchanger. The effect of these geometrical numbers on the hydrodynamic and thermal behaviors was discussed.

Keywords: Heat transfer, helical ribbons, hydrodynamic behavior, parametric study, scraped surface heat exchanger, thermal behavior.

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Authors: Md. Anayet U. Patwari, Mohammad Ahsan Habib, Md. Tanzib Ehsan, Md Golam Ahnaf, Md. S. I. Chowdhury

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Surface roughness is one of the key quality parameters of the finished product. During any machining operation, high temperatures are generated at the tool-chip interface impairing surface quality and dimensional accuracy of products. Cutting fluids are generally applied during machining to reduce temperature at the tool-chip interface. However, usages of cutting fluids give rise to problems such as waste disposal, pollution, high cost, and human health hazard. Researchers, now-a-days, are opting towards dry machining and other cooling techniques to minimize use of coolants during machining while keeping surface roughness of products within desirable limits. In this paper, a concept of using peltier cooling effects during aluminium milling operation has been presented and adopted with an aim to improve surface roughness of the machined surface. Experimental evidence shows that peltier cooling effect provides better surface roughness of the machined surface compared to dry machining.

Keywords: Aluminium, surface roughness, Peltier cooling effect, milling operation.

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Authors: Yagya Sharma, Basanta K. Rana, Arup K. Das

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Rotary entrainment is a phenomenon in which the interface of two immiscible fluids are subjected to external flux by means of rotation. Present work reports the experimental study on rotary motion of a horizontal cylinder between the interface of air and water to observe the penetration of gas inside the liquid. Experiments have been performed to establish entrainment of air mass in water alongside the cylindrical surface. The movement of tracer and seeded particles has been tracked to calculate the speed and path of the entrained air inside water. Simplified particle image velocimetry technique has been used to trace the movement of particles/tracers at the moment they are injected inside the entrainment zone and suspended beads have been used to replicate the particle movement with respect to time in order to determine the flow dynamics of the fluid along the cylinder. Present paper establishes a thorough experimental analysis of the rotary entrainment phenomenon between air and water keeping in interest the extent to which we can intermix the two and also to study its entrainment trajectories.

Keywords: Entrainment, gas-liquid flow, particle image velocimetry, stratified layer mixing.

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Authors: Sang Ho Lee, Tae Heon Moon, Youn Taik Leem, Kwang Woo Nam

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Knowledge and IT inputs to other industrial production have become more important as a key factor for the competitiveness of national and regional economies, such as knowledge economies in smart cities. Knowledge and IT industries lead the industrial innovation and technical (r)evolution through low cost, high efficiency in production, and by creating a new value chain and new production path chains, which is referred as knowledge and IT dynamics. This study aims to investigate the knowledge and IT dynamics in Korea, which are analyzed through the input-output model and structural path analysis. Twenty-eight industries were reclassified into seven categories; Agriculture and Mining, IT manufacture, Non-IT manufacture, Construction, IT-service, Knowledge service, Non-knowledge service to take close look at the knowledge and IT dynamics. Knowledge and IT dynamics were analyzed through the change of input output coefficient and multiplier indices in terms of technical innovation, as well as the changes of the structural paths of the knowledge and IT to other industries in terms of new production value creation from 1985 and 2010. The structural paths of knowledge and IT explain not only that IT foster the generation, circulation and use of knowledge through IT industries and IT-based service, but also that knowledge encourages IT use through creating, sharing and managing knowledge. As a result, this paper found the empirical investigation on the knowledge and IT dynamics of the Korean economy. Knowledge and IT has played an important role regarding the inter-industrial transactional input for production, as well as new industrial creation. The birth of the input-output production path has mostly originated from the knowledge and IT industries, while the death of the input-output production path took place in the traditional industries from 1985 and 2010. The Korean economy has been in transition to a knowledge economy in the Smart City.

Keywords: Knowledge and IT industries, input-output model, structural path analysis, dynamics of knowledge and IT, knowledge economy, knowledge city, smart city.

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Authors: E. Menga, S. Hernandez

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Finite Element Models (FEMs) are widely used in order to study and predict the dynamic properties of structures and usually, the prediction can be obtained with much more accuracy in the case of a single component than in the case of assemblies. Especially for structural dynamics studies, in the low and middle frequency range, most complex FEMs can be seen as assemblies made by linear components joined together at interfaces. From a modelling and computational point of view, these types of joints can be seen as localized sources of stiffness and damping and can be modelled as lumped spring/damper elements, most of time, characterized by nonlinear constitutive laws. On the other side, most of FE programs are able to run nonlinear analysis in time-domain. They treat the whole structure as nonlinear, even if there is one nonlinear degree of freedom (DOF) out of thousands of linear ones, making the analysis unnecessarily expensive from a computational point of view. In this work, a methodology in order to obtain the nonlinear frequency response of structures, whose nonlinearities can be considered as localized sources, is presented. The work extends the well-known Structural Dynamic Modification Method (SDMM) to a nonlinear set of modifications, and allows getting the Nonlinear Frequency Response Functions (NLFRFs), through an ‘updating’ process of the Linear Frequency Response Functions (LFRFs). A brief summary of the analytical concepts is given, starting from the linear formulation and understanding what the implications of the nonlinear one, are. The response of the system is formulated in both: time and frequency domain. First the Modal Database is extracted and the linear response is calculated. Secondly the nonlinear response is obtained thru the NL SDMM, by updating the underlying linear behavior of the system. The methodology, implemented in MATLAB, has been successfully applied to estimate the nonlinear frequency response of two systems. The first one is a two DOFs spring-mass-damper system, and the second example takes into account a full aircraft FE Model. In spite of the different levels of complexity, both examples show the reliability and effectiveness of the method. The results highlight a feasible and robust procedure, which allows a quick estimation of the effect of localized nonlinearities on the dynamic behavior. The method is particularly powerful when most of the FE Model can be considered as acting linearly and the nonlinear behavior is restricted to few degrees of freedom. The procedure is very attractive from a computational point of view because the FEM needs to be run just once, which allows faster nonlinear sensitivity analysis and easier implementation of optimization procedures for the calibration of nonlinear models.

Keywords: Frequency response, nonlinear dynamics, structural dynamic modification, softening effect, rubber.

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Authors: Hamidreza Bagheri, Alireza Shariati

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There are many difficulties in the purification of raw components and products. However, researchers are seeking better ways for purification. One of the recent methods is extraction using supercritical fluids. In this study, the phase equilibria of benzoic acid -supercritical carbon dioxide system were investigated. Regarding the phase equilibria of this system, the modeling of solid-supercritical fluid behavior was performed using the Perturbed-Chain Statistical Association Fluid Theory (PC-SAFT) and Peng-Robinson equations of state (PR EoS). For this purpose, five PC-SAFT EoS parameters for pure benzoic acid were obtained using its experimental vapor pressure. Benzoic acid has association sites and the behavior of the benzoic acid-supercritical fluid system was well predicted using both equations of state, while the binary interaction parameter values for PR EoS were negative. Genetic algorithm, which is one of the most accurate global optimization algorithms, was also used to optimize the pure benzoic acid parameters and the binary interaction parameters. The AAD% value for the PC-SAFT EoS, were 0.22 for the carbon dioxide-benzoic acid system.

Keywords: Supercritical fluids, Solubility, Solid, PC-SAFT EoS, Genetic algorithm.

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Authors: Emmanuel U. Ohaegbulem, Felix N. Nwobi

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Alternative and simple computational arrangements in carrying out multivariate profile analysis when more than two groups (populations) are involved are presented. These arrangements have been demonstrated to not only yield equivalent results for the test statistics (the Wilks lambdas), but they have less computational efforts relative to other arrangements so far presented in the literature; in addition to being quite simple and easy to apply.

Keywords: Coincident profiles, g-group profile analysis, level profiles, parallel profiles, repeated measures MANOVA.

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Authors: Seema Chopra, R. Mitra, Vijay Kumar

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In this paper, a neural network tuned fuzzy controller is proposed for controlling Multi-Input Multi-Output (MIMO) systems. For the convenience of analysis, the structure of MIMO fuzzy controller is divided into single input single-output (SISO) controllers for controlling each degree of freedom. Secondly, according to the characteristics of the system-s dynamics coupling, an appropriate coupling fuzzy controller is incorporated to improve the performance. The simulation analysis on a two-level mass–spring MIMO vibration system is carried out and results show the effectiveness of the proposed fuzzy controller. The performance though improved, the computational time and memory used is comparatively higher, because it has four fuzzy reasoning blocks and number may increase in case of other MIMO system. Then a fuzzy neural network is designed from a set of input-output training data to reduce the computing burden during implementation. This control strategy can not only simplify the implementation problem of fuzzy control, but also reduce computational time and consume less memory.

Keywords: Fuzzy Control, Neural Network, MIMO System, Optimization of Membership functions.

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Authors: Cha’o-Kuang Chen, Ching-Chang Cho

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The study investigates the mixing performance of electrokinetically-driven power-law fluids in a microchannel containing patterned trapezoid blocks. The effects of the geometry parameters of the patterned trapezoid blocks and the flow behavior index in the power-law model on the mixing efficiency within the microchannel are explored. The results show that the mixing efficiency can be improved by increasing the width of the blocks and extending the length of upper surface of the blocks. In addition, the results show that the mixing efficiency increases with an increasing flow behavior index. Furthermore, it is shown that a heterogeneous patterning of the zeta potential on the upper surfaces of the trapezoid blocks prompts the formation of local flow recirculations, and therefore improves the mixing efficiency. Consequently, it is shown that the mixing performance improves with an increasing magnitude of the heterogeneous surface zeta potential.

Keywords: Non-Newtonian fluid, Power-law fluid, Electroosmotic flow, Passive mixer, Mixing, Micromixer.

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Authors: Alibek Issakhov

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In this paper developed and realized absolutely new algorithm for solving three-dimensional Poisson equation. This equation used in research of turbulent mixing, computational fluid dynamics, atmospheric front, and ocean flows and so on. Moreover in the view of rising productivity of difficult calculation there was applied the most up-to-date and the most effective parallel programming technology - MPI in combination with OpenMP direction, that allows to realize problems with very large data content. Resulted products can be used in solving of important applications and fundamental problems in mathematics and physics.

Keywords: MPI, OpenMP, three dimensional Poisson equation

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Authors: G. V. Novikov, V. S. Sivozhelezov, S. S. Kolesnikov, K. V. Shaitan

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The study reports about the influence of binding of orthosteric ligands as well as point mutations on the conformational dynamics of β-2-adrenoreceptor. Using molecular dynamics simulation we found that there was a little fraction of active states of the receptor in its apo (ligand free) ensemble corresponded to its constitutive activity. Analysis of MD trajectories indicated that such spontaneous activation of the receptor is accompanied by the motion in intracellular part of its alpha-helices. Thus receptor’s constitutive activity directly results from its conformational dynamics. On the other hand the binding of a full agonist resulted in a significant shift of the initial equilibrium towards its active state. Finally, the binding of the inverse agonist stabilized the receptor in its inactive state. It is likely that the binding of inverse agonists might be a universal way of constitutive activity inhibition in vivo. Our results indicate that ligand binding redistribute pre-existing conformational degrees of freedom (in accordance to the Monod-Wyman-Changeux-Model) of the receptor rather than cause induced fit in it. Therefore, the ensemble of biologically relevant receptor conformations is encoded in its spatial structure, and individual conformations from that ensemble might be used by the cell in conformity with the physiological behavior.

Keywords: Seven-transmembrane receptors, constitutive activity, activation, x-ray crystallography, principal component analysis, molecular dynamics simulation.

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Authors: Khachatur V. Nerkararyan, Sergey I. Bozhevolnyi

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We investigate relaxation dynamics of a quantum dipole emitter (QDE), e.g., a molecule or quantum dot, located near a metal nanoparticle (MNP) exhibiting a dipolar localized surface plasmon (LSP) resonance at the frequency of the QDE radiative transition. It is shown that under the condition of the QDE-MNP characteristic relaxation time being much shorter than that of the QDE in free-space but much longer than the LSP lifetime. It is also shown that energy dissipation in the QDE-MNP system is relatively weak with the probability of the photon emission being about 0.75, a number which, rather surprisingly, does not explicitly depend on the metal absorption characteristics. The degree of entanglement measured by the concurrency takes the maximum value, while the distances between the QDEs and metal ball approximately are equal.

Keywords: Metal nanoparticle, Localized surface plasmon, Quantum dipole emitter, Relaxation dynamics.

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Authors: F. Caliskan

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This paper presents a Neural Network (NN) identification of icing parameters in an A340 aircraft and a reconfiguration technique to keep the A/C performance close to the performance prior to icing. Five aircraft parameters are assumed to be considerably affected by icing. The off-line training for identifying the clear and iced dynamics is based on the Levenberg-Marquard Backpropagation algorithm. The icing parameters are located in the system matrix. The physical locations of the icing are assumed at the right and left wings. The reconfiguration is based on the technique known as the control mixer approach or pseudo inverse technique. This technique generates the new control input vector such that the A/C dynamics is not much affected by icing. In the simulations, the longitudinal and lateral dynamics of an Airbus A340 aircraft model are considered, and the stability derivatives affected by icing are identified. The simulation results show the successful NN identification of the icing parameters and the reconfigured flight dynamics having the similar performance before the icing. In other words, the destabilizing icing affect is compensated.

Keywords: Aircraft Icing, Stability Derivatives, Neural NetworkIdentification, Reconfiguration.

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Authors: P. Mohajeri Khameneh, I. Mirzaie, N. Pourmahmoud, M. Rahimi, S. Majidyfar

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Three dimensional simulations in tube in tube heat exchangers are investigated numerically in this study. In these simulations forced convective heat transfer and laminar flow of single-phase water are considered. In order to measure heat transfer parameters in these heat exchangers, FLUENT CFD Solver is used in this numerical method. For the purpose of creating geometry and exert boundary and initial conditions in the present model, finite volume method in Computational Fluid Dynamics is used in this study. In the present study, at each Z-location, variation of local temperatures, heat flux and Nusselt number at the whole tube is investigated in detail. Thereafter, averaged computational Nusselt number in this model is calculated. In addition, conceivable pressure drops have been obtained at each Z-location in this model. Then, pressure drop values in the present model are explored. Finally, all the numerical results for this kind of heat exchanger will be discussed precisely.

Keywords: Heat exchanger, Laminar flow, CFD, Nusseltnumber, Tube in tube, pressure drop.

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Authors: A. Jomartov, K. Jomartova

Abstract:

One of the main and responsible units of Sulzer projectile loom is picking mechanism. It is specifically designed to accelerate projectile to speed of 25 m / s. Initial speed projectile of Sulzer projectile loom is independent of speed loom and determined the potential energy torsion rod. This paper investigates the dynamics picking mechanism of Sulzer projectile loom during its discharge. A result of calculation model, we obtain the law of motion lever of picking mechanism during its discharge. Construction of dynamic model the picking mechanism of Sulzer projectile loom on software complex SimulationX can make calculations for different thickness of torsion rods taking into account the backlashes in the connections, the dissipative forces and resistance forces

Keywords: Dynamics, loom, picking mechanism, projectile, SimulationX.

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Authors: Hidetoshi Konno, Akio Suzuki

Abstract:

The paper presented a transient population dynamics of phase singularities in 2D Beeler-Reuter model. Two stochastic modelings are examined: (i) the Master equation approach with the transition rate (i.e., λ(n, t) = λ(t)n and μ(n, t) = μ(t)n) and (ii) the nonlinear Langevin equation approach with a multiplicative noise. The exact general solution of the Master equation with arbitrary time-dependent transition rate is given. Then, the exact solution of the mean field equation for the nonlinear Langevin equation is also given. It is demonstrated that transient population dynamics is successfully identified by the generalized Logistic equation with fractional higher order nonlinear term. It is also demonstrated the necessity of introducing time-dependent transition rate in the master equation approach to incorporate the effect of nonlinearity.

Keywords: Transient population dynamics, Phase singularity, Birth-death process, Non-stationary Master equation, nonlinear Langevin equation, generalized Logistic equation.

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