Search results for: molecular dynamics simulation

Authors: Troy L. Story

Abstract:

A mathematical model for the Dynamics of Economic Profit is constructed by proposing a characteristic differential oneform for this dynamics (analogous to the action in Hamiltonian dynamics). After processing this form with exterior calculus, a pair of characteristic differential equations is generated and solved for the rate of change of profit P as a function of revenue R (t) and cost C (t). By contracting the characteristic differential one-form with a vortex vector, the Lagrangian is obtained for the Dynamics of Economic Profit.

Keywords: Differential geometry, exterior calculus, Hamiltonian geometry, mathematical economics, economic functions, and dynamics

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Authors: Joseph E. Estevez, Mahdi Ghazizadeh, James G. Ryan, Ajit D. Kelkar

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Radiation shielding is an obstacle in long duration space exploration. Boron Nitride Nanotubes (BNNTs) have attracted attention as an additive to radiation shielding material due to B¹⁰’s large neutron capture cross section. The B¹⁰ has an effective neutron capture cross section suitable for low energy neutrons ranging from 10^-5 to 10⁴ eV and hydrogen is effective at slowing down high energy neutrons. Hydrogenated BNNTs are potentially an ideal nanofiller for radiation shielding composites. We use Molecular Dynamics (MD) Simulation via Material Studios Accelrys 6.0 to model the Young’s Modulus of Hydrogenated BNNTs. An extrapolation technique was employed to determine the Young’s Modulus due to the deformation of the nanostructure at its theoretical density. A linear regression was used to extrapolate the data to the theoretical density of 2.62g/cm³. Simulation data shows that the hydrogenated BNNTs will experience a 11% decrease in the Young’s Modulus for (6,6) BNNTs and 8.5% decrease for (8,8) BNNTs compared to non-hydrogenated BNNT’s. Hydrogenated BNNTs are a viable option as a nanofiller for radiation shielding nanocomposite materials for long range and long duration space exploration.

Keywords: Boron Nitride Nanotube, Radiation Shielding, Young Modulus, Atomistic Modeling.

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Authors: S. Kulsri, M. Jaroensutasinee, K. Jaroensutasinee

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We developed a method based on quasi-molecular modelling to simulate the fall of water drops on horizontally smooth and rough surfaces. Each quasi-molecule was a group of particles that interacted in a fashion entirely analogous to classical Newtonian molecular interactions. When a falling water droplet was simulated at low impact velocity on both smooth and rough surfaces, the droplets moved periodically (i.e. the droplets moved up and down for a certain period, finally they stopped moving and reached a steady state), spreading and recoiling without splash or break-up. Spreading rates of falling water droplets increased rapidly as time increased until the spreading rate reached its steady state at time t ~ 0.25 s for rough surface and t ~ 0.40 s for smooth surface. The droplet height above both surfaces decreased as time increased, remained constant after the droplet diameter attained a maximum value and reached its steady state at time t ~ 0.4 s. However, rough surface had higher spreading rates of falling water droplets and lower height on the surface than smooth one.

Keywords: Quasi-molecular modelling, particle modelling, molecular aggregate approach.

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Authors: P. Vazan, P. Tanuska

Abstract:

The paper provides the basic overview of simulation optimization. The procedure of its practical using is demonstrated on the real example in simulator Witness. The simulation optimization is presented as a good tool for solving many problems in real praxis especially in production systems. The authors also characterize their own experiences and they mention the strengths and weakness of simulation optimization.

Keywords: discrete event simulation, simulation optimization, Witness

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Authors: M. R. Ghasemi, R. Ghiasi, H. Varaee

Abstract:

Surrogate model has received increasing attention for use in detecting damage of structures based on vibration modal parameters. However, uncertainties existing in the measured vibration data may lead to false or unreliable output result from such model. In this study, an efficient approach based on Monte Carlo simulation is proposed to take into account the effect of uncertainties in developing a surrogate model. The probability of damage existence (PDE) is calculated based on the probability density function of the existence of undamaged and damaged states. The kriging technique allows one to genuinely quantify the surrogate error, therefore it is chosen as metamodeling technique. Enhanced version of ideal gas molecular movement (EIGMM) algorithm is used as main algorithm for model updating. The developed approach is applied to detect simulated damage in numerical models of 72-bar space truss and 120-bar dome truss. The simulation results show the proposed method can perform well in probability-based damage detection of structures with less computational effort compared to direct finite element model.

Keywords: Enhanced ideal gas molecular movement, Kriging, probability-based damage detection, probability of damage existence, surrogate modeling, uncertainty quantification.

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Authors: Keyvan Shahgholian, Hamid Hajihosseini

Abstract:

The significance of environmental protection is wellknown in today's world. The execution of any program depends on sufficient knowledge and required familiarity with environment and its pollutants. Taking advantage of a systematic method, as a new science, in environmental planning can solve many problems. In this article, air pollution in Tehran and its relationship with health and population growth have been analyzed using dynamic systems. Firstly, by using casual loops, the relationship between the parameters effective on air pollution in Tehran were taken into consideration, then these casual loops were turned into flow diagrams [6], and finally, they were simulated using the software Vensim [16]in order to conclude what the effect of each parameter will be on air pollution in Tehran in the next 10 years, how changing of one or more parameters influences other parameters, and which parameter among all other parameters requires to be controlled more.

Keywords: Air pollutions, Simulation, System Dynamics, Tehran, Vensim.

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Authors: S. Grishin

Abstract:

This article is dedicated to development of mathematical models for determining the dynamics of concentration of hazardous substances in urban turbulent atmosphere. Development of the mathematical models implied taking into account the time-space variability of the fields of meteorological items and such turbulent atmosphere data as vortex nature, nonlinear nature, dissipativity and diffusivity. Knowing the turbulent airflow velocity is not assumed when developing the model. However, a simplified model implies that the turbulent and molecular diffusion ratio is a piecewise constant function that changes depending on vertical distance from the earth surface. Thereby an important assumption of vertical stratification of urban air due to atmospheric accumulation of hazardous substances emitted by motor vehicles is introduced into the mathematical model. The suggested simplified non-linear mathematical model of determining the sought exhaust concentration at a priori unknown turbulent flow velocity through non-degenerate transformation is reduced to the model which is subsequently solved analytically.

Keywords: Urban ecology, time-dependent mathematical model, exhaust concentration, turbulent and molecular diffusion, airflow velocity.

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Authors: Jatinder Kumar, Ajay Bansal

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The present study deals with the modeling and simulation of flow through an annular reactor at different hydrodynamic conditions using computational fluid dynamics (CFD) to investigate the flow behavior. CFD modeling was utilized to predict velocity distribution and average velocity in the annular geometry. The results of CFD simulations were compared with the mathematically derived equations and already developed correlations for validation purposes. CFD modeling was found suitable for predicting the flow characteristics in annular geometry under laminar flow conditions. It was observed that CFD also provides local values of the parameters of interest in addition to the average values for the simulated geometry.

Keywords: Annular reactor, computational fluid dynamics (CFD), hydrodynamics, Rhodamine B

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Authors: Oliver Mărunţălu, Gheorghe Lăzăroiu, Elena Elisabeta Manea, Dana Andreya Bondrea, Lăcrămioara Diana Robescu

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This paper presents the results obtained by numerical simulation using the software ANSYS CFX-CFD for the air pollutants dispersion in the atmosphere coming from the evacuation of combustion gases resulting from the fuel combustion in an electric thermal power plant. The model uses the Navier-Stokes equation to simulate the dispersion of pollutants in the atmosphere. It is considered as important factors in elaboration of simulation the atmospheric conditions (pressure, temperature, wind speed, wind direction), the exhaust velocity of the combustion gases, chimney height and the obstacles (buildings). Using the air quality monitoring stations it is measured the concentrations of main pollutants (SO2, NOx and PM). The pollutants were monitored over a period of 3 months, after that the average concentration are calculated, which is used by the software. The concentrations are: 8.915 μg/m3 (NOx), 9.587 μg/m3 (SO2) and 42 μg/m3 (PM). A comparison of test data with simulation results demonstrated that CFX was able to describe the dispersion of the pollutant as well the concentration of this pollutants in the atmosphere.

Keywords: Air pollutants, computational fluid dynamics, dispersion, simulation.

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Authors: M. S. Alam, M. R. Alam, Nusrat Jahan Imu

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This paper presents a computer simulation model based on system dynamics methodology for analyzing the dynamic characteristics of input energy structure in agriculture and Bangladesh is used here as a case study for model validation. The model provides an input energy structure linking the major energy flows with human energy and draft energy from cattle as well as tractors and/or power tillers, irrigation, chemical fertilizer and pesticide. The evaluation is made in terms of different energy dependent indicators. During the simulation period, the energy input to agriculture increased from 6.1 to 19.15 GJ/ha i.e. 2.14 fold corresponding to energy output in terms of food, fodder and fuel increase from 71.55 to 163.58 GJ/ha i.e. 1.28 fold from the base year. This result indicates that the energy input in Bangladeshi agricultural production is increasing faster than the energy output. Problems such as global warming, nutrient loading and pesticide pollution can associate with this increasing input. For an assessment, a comparative statement of input energy use in agriculture of developed countries (DCs) and least developed countries (LDCs) including Bangladesh has been made. The performance of the model is found satisfactory to analyze the agricultural energy system for LDCs

Keywords: Agriculture, energy indicator, system dynamics, energy flows.

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Authors: M. Nakisa, A. Maimun, Yasser M. Ahmed, F. Behrouzi, A. Tarmizi

Abstract:

The practical application of the Computational Fluid Dynamics (CFD), for predicting the flow pattern around Multipurpose Amphibious Vehicle (MAV) hull has made much progress over the last decade. Today, several of the CFD tools play an important role in the land and water going vehicle hull form design. CFD has been used for analysis of MAV hull resistance, sea-keeping, maneuvering and investigating its variation when changing the hull form due to varying its parameters, which represents a very important task in the principal and final design stages. Resistance analysis based on CFD (Computational Fluid Dynamics) simulation has become a decisive factor in the development of new, economically efficient and environmentally friendly hull forms. Three-dimensional finite volume method (FVM) based on Reynolds Averaged Navier-Stokes equations (RANS) has been used to simulate incompressible flow around three types of MAV hull bow models in steady-state condition. Finally, the flow structure and streamlines, friction and pressure resistance and velocity contours of each type of hull bow will be compared and discussed.

Keywords: RANS Simulation, Multipurpose Amphibious Vehicle, Viscous Flow Structure.

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Authors: Yoon- Ho Shin, Jin-Seung Choi, Dong-Won Kang, Jeong-Woo Seo, Joo-Hack Lee, Ju-Young Kim, Dae-Hyeok Kim, Seung-Tae Yang, Gye-Rae Tack

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It is difficult to study the effect of various variables on cycle fitting through actual experiment. To overcome such difficulty, the forward dynamics of a musculoskeletal model was applied to cycle fitting in this study. The measured EMG data weres compared with the muscle activities of the musculoskeletal model through forward dynamics. EMG data were measured from five cyclists who do not have musculoskeletal diseases during three minutes pedaling with a constant load (150 W) and cadence (90 RPM). The muscles used for the analysis were the Vastus Lateralis (VL), Tibialis Anterior (TA), Bicep Femoris (BF), and Gastrocnemius Medial (GM). Person’s correlation coefficients of the muscle activity patterns, the peak timing of the maximum muscle activities, and the total muscle activities were calculated and compared. BIKE3D model of AnyBody (Anybodytech, Denmark) was used for the musculoskeletal model simulation. The comparisons of the actual experiments with the simulation results showed significant correlations in the muscle activity patterns (VL: 0.789, TA: 0.503, BF: 0.468, GM: 0.670). The peak timings of the maximum muscle activities were distributed at particular phases. The total muscle activities were compared with the normalized muscle activities, and the comparison showed about 10% difference in the VL (+10%), TA (+9.7%), and BF (+10%), excluding the GM (+29.4%). Thus, it can be concluded that muscle activities of model & experiment showed similar results. The results of this study indicated that it was possible to apply the simulation of further improved musculoskeletal model to cycle fitting.

Keywords: Cycle fitting, EMG, Musculoskeletal modeling, Simulation.

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Authors: F. Hosseinpour, H. Hajihosseini

Abstract:

Simulation is a very helpful and valuable work tool in manufacturing. It can be used in industrial field allowing the system`s behavior to be learnt and tested. Simulation provides a low cost, secure and fast analysis tool. It also provides benefits, which can be reached with many different system configurations. Topics to be discussed include: Applications, Modeling, Validating, Software and benefits of simulation. This paper provides a comprehensive literature review on research efforts in simulation.

Keywords: Manufacturing, modeling, simulation, training.

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Authors: Sh. Shahhosseini, S. Alinia, M. Irani

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In this work, axisymetric CFD simulation of fixed bed GTL reactor has been conducted, using computational fluid dynamics (CFD). In fixed bed CFD modeling, when N (tube-to-particle diameter ratio) has a large value, it is common to consider the packed bed as a porous media. Synthesis gas (a mixture of predominantly carbon monoxide and hydrogen) was fed to the reactor. The reactor length was 20 cm, divided to three sections. The porous zone was in the middle section of the reactor. The model equations were solved employing finite volume method. The effects of particle diameter, bed voidage, fluid velocity and bed length on pressure drop have been investigated. Simulation results showed these parameters could have remarkable impacts on the reactor pressure drop.

Keywords: GTL Process, Fixed bed reactor, Pressure drop, CFDsimulation.

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Authors: Paola Lecca, Lorenzo Dematte, Corrado Priami

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The present models and simulation algorithms of intracellular stochastic kinetics are usually based on the premise that diffusion is so fast that the concentrations of all the involved species are homogeneous in space. However, recents experimental measurements of intracellular diffusion constants indicate that the assumption of a homogeneous well-stirred cytosol is not necessarily valid even for small prokaryotic cells. In this work a mathematical treatment of diffusion that can be incorporated in a stochastic algorithm simulating the dynamics of a reaction-diffusion system is presented. The movement of a molecule A from a region i to a region j of the space is represented as a first order reaction Ai k- ! Aj , where the rate constant k depends on the diffusion coefficient. The diffusion coefficients are modeled as function of the local concentration of the solutes, their intrinsic viscosities, their frictional coefficients and the temperature of the system. The stochastic time evolution of the system is given by the occurrence of diffusion events and chemical reaction events. At each time step an event (reaction or diffusion) is selected from a probability distribution of waiting times determined by the intrinsic reaction kinetics and diffusion dynamics. To demonstrate the method the simulation results of the reaction-diffusion system of chaperoneassisted protein folding in cytoplasm are shown.

Keywords: Reaction-diffusion systems, diffusion coefficient, stochastic simulation algorithm.

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Authors: F. Caliskan

Abstract:

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: Ying Shang, Chencheng Wang

Abstract:

The wind field is the main driving factor for the spread of forest fires. For the simulation results of forest fire spread to be more accurate, it is necessary to obtain more detailed wind field data. Therefore, this paper studied the mountainous fine wind field simulation method coupled with WRF (Weather Research and Forecasting Model) and CFD (Computational Fluid Dynamics) to realize the numerical simulation of the wind field in a mountainous area with a scale of 30 m and a small measurement error. Local topographical changes have an important impact on the wind field. Based on the Rothermel fire spread model, a forest fire in Idaho in the western United States was simulated. The historical data proved that the simulation results had a good accuracy. They showed that the fire spread rate will decrease rapidly with time and then reach a steady state. After reaching a steady state, the fire spread growth area will not only be affected by the slope, but will also show a significant quadratic linear positive correlation with the wind speed change.

Keywords: Wind field, numerical simulation, forest fire spread, fire behavior model, complex terrain.

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Authors: C. E. Madubueze, S. C. Madubueze, S. Ajama

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Cholera is a disease that is predominately common in developing countries due to poor sanitation and overcrowding population. In this paper, a deterministic model for the dynamics of cholera is developed and control measures such as health educational message, therapeutic treatment, and vaccination are incorporated in the model. The effective reproduction number is computed in terms of the model parameters. The existence and stability of the equilibrium states, disease free and endemic equilibrium states are established and showed to be locally and globally asymptotically stable when R0 < 1 and R0 > 1 respectively. The existence of backward bifurcation of the model is investigated. Furthermore, numerical simulation of the model developed is carried out to show the impact of the control measures and the result indicates that combined control measures will help to reduce the spread of cholera in the population.

Keywords: Backward bifurcation, cholera, equilibrium, dynamics, stability.

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Authors: M. R. Ghasemi, R. Ghiasi, H. Varaee

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Model updating method has received increasing attention in damage detection structures based on measured modal parameters. Therefore, a probability-based damage detection (PBDD) procedure based on a model updating procedure is presented in this paper, in which a one-stage model-based damage identification technique based on the dynamic features of a structure is investigated. The presented framework uses a finite element updating method with a Monte Carlo simulation that considers the uncertainty caused by measurement noise. Enhanced ideal gas molecular movement (EIGMM) is used as the main algorithm for model updating. Ideal gas molecular movement (IGMM) is a multiagent algorithm based on the ideal gas molecular movement. Ideal gas molecules disperse rapidly in different directions and cover all the space inside. This is embedded in the high speed of molecules, collisions between them and with the surrounding barriers. In IGMM algorithm to accomplish the optimal solutions, the initial population of gas molecules is randomly generated and the governing equations related to the velocity of gas molecules and collisions between those are utilized. In this paper, an enhanced version of IGMM, which removes unchanged variables after specified iterations, is developed. The proposed method is implemented on two numerical examples in the field of structural damage detection. The results show that the proposed method can perform well and competitive in PBDD of structures.

Keywords: Enhanced ideal gas molecular movement, ideal gas molecular movement, model updating method, probability-based damage detection, uncertainty quantification.

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Authors: Reginald D. Smith

Abstract:

The dynamics of User Datagram Protocol (UDP) traffic over Ethernet between two computers are analyzed using nonlinear dynamics which shows that there are two clear regimes in the data flow: free flow and saturated. The two most important variables affecting this are the packet size and packet flow rate. However, this transition is due to a transcritical bifurcation rather than phase transition in models such as in vehicle traffic or theorized large-scale computer network congestion. It is hoped this model will help lay the groundwork for further research on the dynamics of networks, especially computer networks.

Keywords: congestion, packet flow, Internet, traffic dynamics, transcritical bifurcation

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Authors: López-Gutiérrez R.M., Rodríguez-Orozco E., Cruz-Hernández C., Inzunza-González E., Posadas-Castillo C., García-Guerrero E.E., Cardoza-Avendaño L.

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In this paper, we use Generalized Hamiltonian systems approach to synchronize a modified sixth-order Chua's circuit, which generates hyperchaotic dynamics. Synchronization is obtained between the master and slave dynamics with the slave being given by an observer. We apply this approach to transmit private information (analog and binary), while the encoding remains potentially secure.

Keywords: Hyperchaos synchronization, sixth-order Chua's circuit, observers, simulation, secure communication.

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Authors: Yi Liu

Abstract:

In this paper, computational fluid dynamics (CFD) is utilized to characterize a prototype biolistic delivery system, the biomedical device based on the contoured-shock-tube design (CST), with the aim at investigating shocks induced flow instabilities within the contoured shock tube. The shock/interface interactions, the growth of perturbation at an interface between two fluids of different density are interrogated. The key features of the gas dynamics and gas-particle interaction are discussed

Keywords: Simulation, Shock wave, Particle, Interface, Supersonic, Richtmyer-Meshkov Instability

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Authors: J. H. Park, T. H. Lee, S. M. Lee, H. Y. Jung

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In this paper, a generalized synchronization scheme, which is called function synchronization, for chaotic systems is studied. Based on Lyapunov method and active control method, we design the synchronization controller for the system such that the error dynamics between master and slave chaotic systems is asymptotically stable. For verification of our theory, computer and circuit simulations for a specific chaotic system is conducted.

Keywords: Chaotic systems, synchronization, Lyapunov method, simulation.

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Authors: Quy Dang Nguyen, Reza Nakhaie Jazar

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The paper investigates vibration dynamics of tire-road separation for a quarter-car model; this separation model is developed to be close to the real situation considering the tire is able to separate from the ground plane. A set of piecewise linear mathematical models is developed and matches the in-contact and no-contact states to be considered as mother models for further investigations. The bound dynamics are numerically simulated in the time response and phase portraits. The separation analysis may determine which values of suspension parameters can delay and avoid the no-contact phenomenon, which results in improving ride comfort and eliminating the potentially dangerous oscillation. Finally, model verification is carried out in the MSC-ADAMS environment.

Keywords: Quarter-car vibrations, tire-road separation, separation analysis, separation dynamics, ride comfort, ADAMS validation.

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Authors: Akhilesh Khapre, Basudeb Munshi

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A computational fluid dynamics simulation is done for non-Newtonian fluid in a baffled stirred tank. The CMC solution is taken as non-Newtonian shear thinning fluid for simulation. The Reynolds Average Navier Stocks equation with steady state multi reference frame approach is used to simulate flow in the stirred tank. The turbulent flow field is modelled using realizable k-ε turbulence model. The simulated velocity profiles of Rushton turbine is validated with literature data. Then, the simulated flow field of CD-6 impeller is compared with the Rushton turbine. The flow field generated by CD-6 impeller is less in magnitude than the Rushton turbine. The impeller global parameter, power number and flow number, and entropy generation due to viscous dissipation rate is also reported.

Keywords: Computational fluid dynamics, non-Newtonian, Rushton turbine, CD-6 impeller, power number, flow number, viscous dissipation rate.

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Authors: A. Kospach, A. Mladek, M. Waltenberger, F. Schilling

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In this work, a coupled 1D/3D simulation approach for thermal protection and optimization of a trailer refrigeration power pack unit was developed. With the developed 1D/3D simulation approach thermal critical scenarios, such as summer, high-load scenarios are investigated. The 1D thermal model was built up consisting of the thermal network, which includes different point masses and associated heat transfers, the coolant and oil circuits, as well as the fan unit. The 3D computational fluid dynamics (CFD) model was developed to model the air flow through the power pack unit considering convective heat transfer effects. In the 1D thermal model the temperatures of the individual point masses were calculated, which served as input variables for the 3D CFD model. For the calculation of the point mass temperatures in the 1D thermal model, the convective heat transfer rates from the 3D CFD model were required as input variables. These two variables (point mass temperatures and convective heat transfer rates) were the main couple variables for the coupled 1D/3D simulation model. The coupled 1D/3D model was validated with measurements under normal operating conditions. Coupled simulations for summer high-load case were than performed and compared with a reference case under normal operation conditions. Hot temperature regions and components could be identified. Due to the detailed information about the flow field, temperatures and heat fluxes, it was possible to directly derive improvement suggestions for the cooling design of the transport refrigeration power pack unit.

Keywords: Coupled thermal simulation, thermal analysis, transport refrigeration unit, 3D computational fluid dynamics, 1D thermal modelling, thermal management systems.

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Authors: A. Galashev

Abstract:

Absorption spectra of infra-red (IR) radiation of the disperse water medium absorbing the most important greenhouse gases: CO2 , N2O , CH4 , C2H2 , C2H6 have been calculated by the molecular dynamics method. Loss of the absorbing ability at the formation of clusters due to a reduction of the number of centers interacting with IR radiation, results in an anti-greenhouse effect. Absorption of O3 molecules by the (H2O)50 cluster is investigated at its interaction with Cl- ions. The splitting of ozone molecule on atoms near to cluster surface was observed. Interaction of water cluster with Cl- ions causes the increase of integrated intensity of emission spectra of IR radiation, and also essential reduction of the similar characteristic of Raman spectrum. Relative integrated intensity of absorption of IR radiation for small water clusters was designed. Dependences of the quantity of weight on altitude for vapor of monomers, clusters, droplets, crystals and mass of all moisture were determined. The anti-greenhouse effect of clusters was defined as the difference of increases of average global temperature of the Earth, caused by absorption of IR radiation by free water molecules forming clusters, and absorption of clusters themselves. The greenhouse effect caused by clusters makes 0.53 K, and the antigreenhouse one is equal to 1.14 K. The increase of concentration of CO2 in the atmosphere does not always correlate with the amplification of greenhouse effect.

Keywords: Greenhouse gases, infrared absorption and Raman spectra, molecular dynamics method, water clusters.

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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: Malik I. Al-Amayreh, Mohammad I. Kilani, Ahmed S. Al-Salaymeh

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This work presents a Computational Fluid Dynamics (CFD) simulation of a butterfly valve used to control the flow of combustible gas mixture in an industrial process setting.The work uses CFD simulation to analyze the flow characteristics in the vicinity of the valve, including the pressure distributions and Frequency spectrum of the pressure pulsations downstream the valves and the vortex shedding allow predicting the torque fluctuations acting on the valve shaft and the possibility of generating mechanical vibration and resonance.These fluctuations are due to aerodynamic torque resulting from fluid turbulence and vortex shedding in the valve vicinity. The valve analyzed is located in a pipeline between two opposing 90o elbows, which exposes the valve and the surrounding structure to the turbulence generated upstream and downstream the elbows at either end of the pipe.CFD simulations show that the best location for the valve from a vibration point of view is in the middle of the pipe joining the elbows.

Keywords: Butterfly Valve Vibration Analysis, Computational Fluid Dynamics, Fluid Flow Circuit Design, Fluid Mechanics.

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Authors: Teewin Plangsrinont, Wasawat Nakkiew

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In this study, Computational Fluid Dynamics (CFD) was utilized to simulate and predict the path of water from water soot blower through an ambient flow field in 300-megawatt tangentially burned pulverized coal boiler that utilizes a water soot blower as a cleaning device. To predict the position of the impact of water on the opposite side of the water soot blower under identical conditions, the nozzle size and water flow rate were fixed in this investigation. The simulation findings demonstrated a high degree of accuracy in predicting the direction of water flow to the boiler's water wall tube, which was validated by comparison to experimental data. Results show maximum deviation value of the water jet trajectory is 10.2%.

Keywords: Computational fluid dynamics, tangentially fired boiler, thermal power plant, water soot blower.

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