Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 16

Search results for: non-equilibrium

16 Heat Transfer and Entropy Generation in a Partial Porous Channel Using LTNE and Exothermicity/Endothermicity Features

Authors: Mohsen Torabi, Nader Karimi, Kaili Zhang

Abstract:

This work aims to provide a comprehensive study on the heat transfer and entropy generation rates of a horizontal channel partially filled with a porous medium which experiences internal heat generation or consumption due to exothermic or endothermic chemical reaction. The focus has been given to the local thermal non-equilibrium (LTNE) model. The LTNE approach helps us to deliver more accurate data regarding temperature distribution within the system and accordingly to provide more accurate Nusselt number and entropy generation rates. Darcy-Brinkman model is used for the momentum equations, and constant heat flux is assumed for boundary conditions for both upper and lower surfaces. Analytical solutions have been provided for both velocity and temperature fields. By incorporating the investigated velocity and temperature formulas into the provided fundamental equations for the entropy generation, both local and total entropy generation rates are plotted for a number of cases. Bifurcation phenomena regarding temperature distribution and interface heat flux ratio are observed. It has been found that the exothermicity or endothermicity characteristic of the channel does have a considerable impact on the temperature fields and entropy generation rates.

Keywords: Entropy generation, exothermicity, endothermicity, forced convection, local thermal non-equilibrium, analytical modeling.

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15 Quantum Statistical Mechanical Formulations of Three-Body Problems via Non-Local Potentials

Authors: A. Maghari, V. H. Maleki

Abstract:

In this paper, we present a quantum statistical mechanical formulation from our recently analytical expressions for partial-wave transition matrix of a three-particle system. We report the quantum reactive cross sections for three-body scattering processes 1+(2,3)→1+(2,3) as well as recombination 1+(2,3)→1+(3,1) between one atom and a weakly-bound dimer. The analytical expressions of three-particle transition matrices and their corresponding cross-sections were obtained from the threedimensional Faddeev equations subjected to the rank-two non-local separable potentials of the generalized Yamaguchi form. The equilibrium quantum statistical mechanical properties such partition function and equation of state as well as non-equilibrium quantum statistical properties such as transport cross-sections and their corresponding transport collision integrals were formulated analytically. This leads to obtain the transport properties, such as viscosity and diffusion coefficient of a moderate dense gas.

Keywords: Statistical mechanics, Nonlocal separable potential, three-body interaction, Faddeev equations.

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14 Chemical and Vibrational Nonequilibrium Hypersonic Viscous Flow around an Axisymmetric Blunt Body

Authors: R. Haoui

Abstract:

Hypersonic flows around spatial vehicles during their reentry phase in planetary atmospheres are characterized by intense aerothermodynamics phenomena. The aim of this work is to analyze high temperature flows around an axisymmetric blunt body taking into account chemical and vibrational non-equilibrium for air mixture species and the no slip condition at the wall. For this purpose, the Navier-Stokes equations system is resolved by the finite volume methodology to determine the flow parameters around the axisymmetric blunt body especially at the stagnation point and in the boundary layer along the wall of the blunt body. The code allows the capture of shock wave before a blunt body placed in hypersonic free stream. The numerical technique uses the Flux Vector Splitting method of Van Leer. CFL coefficient and mesh size level are selected to ensure the numerical convergence.

Keywords: Hypersonic flow, viscous flow, chemical kinetic, dissociation, finite volumes, frozen and non-equilibrium flow.

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13 Multiparametric Optimization of Water Treatment Process for Thermal Power Plants

Authors: B. Mukanova, N. Glazyrina, S. Glazyrin

Abstract:

The formulated problem of optimization of the technological process of water treatment for thermal power plants is considered in this article. The problem is of multiparametric nature. To optimize the process, namely, reduce the amount of waste water, a new technology was developed to reuse such water. A mathematical model of the technology of wastewater reuse was developed. Optimization parameters were determined. The model consists of a material balance equation, an equation describing the kinetics of ion exchange for the non-equilibrium case and an equation for the ion exchange isotherm. The material balance equation includes a nonlinear term that depends on the kinetics of ion exchange. A direct problem of calculating the impurity concentration at the outlet of the water treatment plant was numerically solved. The direct problem was approximated by an implicit point-to-point computation difference scheme. The inverse problem was formulated as relates to determination of the parameters of the mathematical model of the water treatment plant operating in non-equilibrium conditions. The formulated inverse problem was solved. Following the results of calculation the time of start of the filter regeneration process was determined, as well as the period of regeneration process and the amount of regeneration and wash water. Multi-parameter optimization of water treatment process for thermal power plants allowed decreasing the amount of wastewater by 15%.

Keywords: Direct problem, multiparametric optimization, optimization parameters, water treatment.

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12 Unsteady Natural Convection in a Square Cavity Partially Filled with Porous Media Using a Thermal Non-Equilibrium Model

Authors: Ammar Alsabery, Habibis Saleh, Norazam Arbin, Ishak Hashim

Abstract:

Unsteady natural convection and heat transfer in a square cavity partially filled with porous media using a thermal non-equilibrium model is studied in this paper. The left vertical wall is maintained at a constant hot temperature Th and the right vertical wall is maintained at a constant cold temperature Tc, while the horizontal walls are adiabatic. The governing equations are obtained by applying the Darcy model and Boussinesq approximation. COMSOL’s finite element method is used to solve the non-dimensional governing equations together with specified boundary conditions. The governing parameters of this study are the Rayleigh number (Ra = 10^5, and Ra = 10^6 ), Darcy namber (Da = 10^−2, and Da = 10^−3), the modified thermal conductivity ratio (10^−1 ≤ γ ≤ 10^4), the inter-phase heat transfer coefficien (10^−1 ≤ H ≤ 10^3) and the time dependent (0.001 ≤ τ ≤ 0.2). The results presented for values of the governing parameters in terms of streamlines in both fluid/porous-layer, isotherms of fluid in fluid/porous-layer, isotherms of solid in porous layer, and average Nusselt number.

Keywords: Unsteady natural convection, Thermal non-equilibrium model, Darcy model.

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11 Effect of Al Addition on Microstructure and Physical Properties of Fe-36Ni Invar Alloy

Authors: Seok Hong Min, Tae Kwon Ha

Abstract:

High strength Fe-36Ni-base Invar alloys containing Al contents up to 0.3 weight percent were cast into ingots and thermodynamic equilibrium during solidification has been investigated in this study. From the thermodynamic simulation using Thermo-Calc®, it has been revealed that equilibrium phases which can be formed are two kinds of MC-type precipitates, MoC, and M2C carbides. The mu phase was also expected to form by addition of aluminum. Microstructure observation revealed the coarse precipitates in the as-cast ingots, which was non-equilibrium phase and could be resolved by the successive heat treatment. With increasing Al contents up to 0.3 wt.%, tensile strength of Invar alloy increased as 1400MPa after cold rolling and thermal expansion coefficient increased significantly. Cold rolling appeared to dramatically decrease thermal expansion coefficient.

Keywords: Invar alloy, Aluminum, Phase equilibrium, thermal expansion coefficient, microstructure, tensile properties.

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10 Experimental Investigation and Constitutive Modeling of Volume Strain under Uniaxial Strain Rate Jump Test in HDPE

Authors: Rida B. Arieby, Hameed N. Hameed

Abstract:

In this work, tensile tests on high density polyethylene have been carried out under various constant strain rate and strain rate jump tests. The dependency of the true stress and specially the variation of volume strain have been investigated, the volume strain due to the phenomena of damage was determined in real time during the tests by an optical extensometer called Videotraction. A modified constitutive equations, including strain rate and damage effects, are proposed, such a model is based on a non-equilibrium thermodynamic approach called (DNLR). The ability of the model to predict the complex nonlinear response of this polymer is examined by comparing the model simulation with the available experimental data, which demonstrate that this model can represent the deformation behavior of the polymer reasonably well.

Keywords: Strain rate jump tests, Volume Strain, High Density Polyethylene, Large strain, Thermodynamics approach.

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9 Performance Assessment of Wet-Compression Gas Turbine Cycle with Turbine Blade Cooling

Authors: Kyoung Hoon Kim

Abstract:

Turbine blade cooling is considered as the most effective way of maintaining high operating temperature making use of the available materials, and turbine systems with wet compression have a potential for future power generation because of high efficiency and high specific power with a relatively low cost. In this paper performance analysis of wet-compression gas turbine cycle with turbine blade cooling is carried out. The wet compression process is analytically modeled based on non-equilibrium droplet evaporation. Special attention is paid for the effects of pressure ratio and water injection ratio on the important system variables such as ratio of coolant fluid flow, fuel consumption, thermal efficiency and specific power. Parametric studies show that wet compression leads to insignificant improvement in thermal efficiency but significant enhancement of specific power in gas turbine systems with turbine blade cooling.

Keywords: Water injection, wet compression, gas turbine, turbine blade cooling.

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8 Molecular Electronic Devices based on Carotenoid Derivatives

Authors: Vicente F. P. Aleixo, Augusto C. F. Saraiva, Jordan Del Nero

Abstract:

The production of devices in nanoscale with specific molecular rectifying function is one of the most significant goals in state-of-art technology. In this work we show by ab initio quantum mechanics calculations coupled with non-equilibrium Green function, the design of an organic two-terminal device. These molecular structures have molecular source and drain with several bridge length (from five up to 11 double bonds). Our results are consistent with significant features as a molecular rectifier and can be raised up as: (a) it can be used as bi-directional symmetrical rectifier; (b) two devices integrated in one (FET with one operational region, and Thyristor thiristor); (c) Inherent stability due small intrinsic capacitance under forward/reverse bias. We utilize a scheme for the transport mechanism based on previous properties of ¤Ç bonds type that can be successfully utilized to construct organic nanodevices.

Keywords: ab initio, Carotenoid, Charge Transfer, Nanodevice

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7 Effect of Buoyancy Ratio on Non-Darcy Mixed Convection in a Vertical Channel: A Thermal Non-equilibrium Approach

Authors: Manish K. Khandelwal, P. Bera, A. Chakrabarti

Abstract:

This article presents a numerical study of the doublediffusive mixed convection in a vertical channel filled with porous medium by using non-equilibrium model. The flow is assumed fully developed, uni-directional and steady state. The controlling parameters are thermal Rayleigh number (RaT ), Darcy number (Da), Forchheimer number (F), buoyancy ratio (N), inter phase heat transfer coefficient (H), and porosity scaled thermal conductivity ratio (γ). The Brinkman-extended non-Darcy model is considered. The governing equations are solved by spectral collocation method. The main emphasize is given on flow profiles as well as heat and solute transfer rates, when two diffusive components in terms of buoyancy ratio are in favor (against) of each other and solid matrix and fluid are thermally non-equilibrium. The results show that, for aiding flow (RaT = 1000), the heat transfer rate of fluid (Nuf ) increases upto a certain value of H, beyond that decreases smoothly and converges to a constant, whereas in case of opposing flow (RaT = -1000), the result is same for N = 0 and 1. The variation of Nuf in (N, Nuf )-plane shows sinusoidal pattern for RaT = -1000. For both cases (aiding and opposing) the flow destabilize on increasing N by inviting point of inflection or flow separation on the velocity profile. Overall, the buoyancy force have significant impact on the non-Darcy mixed convection under LTNE conditions.

Keywords: buoyancy ratio, mixed convection, non-Darcy model, thermal non-equilibrium

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6 Influence of Ambient Condition on Performance of Wet Compression Process

Authors: Kyoung Hoon Kim

Abstract:

Gas turbine systems with wet compression have a potential for future power generation, since they can offer a high efficiency and a high specific power with a relatively low cost. In this study influence of ambient condition on the performance of the wet compression process is investigated with a non-equilibrium analytical modeling based on droplet evaporation. Transient behaviors of droplet diameter and temperature of mixed air are investigated for various ambient temperatures. Special attention is paid for the effects of ambient temperature, pressure ratio, and water injection ratios on the important wet compression variables including compressor outlet temperature and compression work. Parametric studies show that downing of the ambient temperature leads to lower compressor outlet temperature and consequently lower consumption of compression work even in wet compression processes.

Keywords: water injection, droplet evaporation, wet compression, gas turbine, ambient condition

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5 Molecular Dynamics Simulation of Annular Flow Boiling in a Microchannel with 70000 Atoms

Authors: D.Toghraie, A.R.Azimian

Abstract:

Molecular dynamics simulation of annular flow boiling in a nanochannel with 70000 particles is numerically investigated. In this research, an annular flow model is developed to predict the superheated flow boiling heat transfer characteristics in a nanochannel. To characterize the forced annular boiling flow in a nanochannel, an external driving force F ext ranging from 1to12PN (PN= Pico Newton) is applied along the flow direction to inlet fluid particles during the simulation. Based on an annular flow model analysis, it is found that saturation condition and superheat degree have great influences on the liquid-vapor interface. Also, the results show that due to the relatively strong influence of surface tension in small channel, the interface between the liquid film and vapor core is fairly smooth, and the mean velocity along the stream-wise direction does not change anymore.

Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD), Annular Flow Boiling

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4 Non-equilibrium Statistical Mechanics of a Driven Lattice Gas Model: Probability Function, FDT-violation, and Monte Carlo Simulations

Authors: K. Sudprasert, M. Precharattana, N. Nuttavut, D. Triampo, B. Pattanasiri, Y. Lenbury, W. Triampo

Abstract:

The study of non-equilibrium systems has attracted increasing interest in recent years, mainly due to the lack of theoretical frameworks, unlike their equilibrium counterparts. Studying the steady state and/or simple systems is thus one of the main interests. Hence in this work we have focused our attention on the driven lattice gas model (DLG model) consisting of interacting particles subject to an external field E. The dynamics of the system are given by hopping of particles to nearby empty sites with rates biased for jumps in the direction of E. Having used small two dimensional systems of DLG model, the stochastic properties at nonequilibrium steady state were analytically studied. To understand the non-equilibrium phenomena, we have applied the analytic approach via master equation to calculate probability function and analyze violation of detailed balance in term of the fluctuation-dissipation theorem. Monte Carlo simulations have been performed to validate the analytic results.

Keywords: Non-equilibrium, lattice gas, stochastic process

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3 Physico-chemical State of the Air at the Stagnation Point during the Atmospheric Reentry of a Spacecraft

Authors: Rabah Haoui

Abstract:

Hypersonic flows around spatial vehicles during their reentry phase in planetary atmospheres are characterized by intense aerothermal phenomena. The aim of this work is to analyze high temperature flows around an axisymmetric blunt body taking into account chemical and vibrational non-equilibrium for air mixture species. For this purpose, a finite volume methodology is employed to determine the supersonic flow parameters around the axisymmetric blunt body, especially at the stagnation point and along the wall of spacecraft for several altitudes. This allows the capture shock wave before a blunt body placed in supersonic free stream. The numerical technique uses the Flux Vector Splitting method of Van Leer. Here, adequate time stepping parameter, along with CFL coefficient and mesh size level are selected to ensure numerical convergence, sought with an order of 10-8

Keywords: Chemical kinetic, dissociation, finite volumes, frozen, hypersonic flow, non-equilibrium, Reactive flow, supersonicflow , vibration.

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2 Molecular Dynamics Simulation of Liquid-Vapor Interface on the Solid Surface Using the GEAR-S Algorithm

Authors: D. Toghraie, A. R. Azimian

Abstract:

In this paper, the Lennard -Jones potential is applied to molecules of liquid argon as well as its vapor and platinum as solid surface in order to perform a non-equilibrium molecular dynamics simulation to study the microscopic aspects of liquid-vapor-solid interactions. The channel is periodic in x and y directions and along z direction it is bounded by atomic walls. It was found that density of the liquids near the solid walls fluctuated greatly and that the structure was more like a solid than a liquid. This indicates that the interactions of solid and liquid molecules are very strong. The resultant surface tension, liquid density and vapor density are found to be well predicted when compared with the experimental data for argon. Liquid and vapor densities were found to depend on the cutoff radius which induces the use of P3M (particle-particle particle-mesh) method which was implemented for evaluation of force and surface tension.

Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD).

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1 Modeling of Surface Roughness for Flow over a Complex Vegetated Surface

Authors: Wichai Pattanapol, Sarah J. Wakes, Michael J. Hilton, Katharine J.M. Dickinson

Abstract:

Turbulence modeling of large-scale flow over a vegetated surface is complex. Such problems involve large scale computational domains, while the characteristics of flow near the surface are also involved. In modeling large scale flow, surface roughness including vegetation is generally taken into account by mean of roughness parameters in the modified law of the wall. However, the turbulence structure within the canopy region cannot be captured with this method, another method which applies source/sink terms to model plant drag can be used. These models have been developed and tested intensively but with a simple surface geometry. This paper aims to compare the use of roughness parameter, and additional source/sink terms in modeling the effect of plant drag on wind flow over a complex vegetated surface. The RNG k-ε turbulence model with the non-equilibrium wall function was tested with both cases. In addition, the k-ω turbulence model, which is claimed to be computationally stable, was also investigated with the source/sink terms. All numerical results were compared to the experimental results obtained at the study site Mason Bay, Stewart Island, New Zealand. In the near-surface region, it is found that the results obtained by using the source/sink term are more accurate than those using roughness parameters. The k-ω turbulence model with source/sink term is more appropriate as it is more accurate and more computationally stable than the RNG k-ε turbulence model. At higher region, there is no significant difference amongst the results obtained from all simulations.

Keywords: CFD, canopy flow, surface roughness, turbulence models.

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