Search results for: Reynolds equation

Authors: Azizollah Khormali, Seyyed Shahab Tabatabaee Moradi, Dmitry Petrakov

Abstract:

One of the most important parameters in petroleum reservoirs is the pressure distribution along the reservoir, as the pressure varies with the time and location. A popular method to determine the pressure distribution in a reservoir in the unsteady state regime of flow is applying Darcy’s equation and solving this equation numerically. The numerical simulation of reservoirs is based on these numerical solutions of different partial differential equations (PDEs) representing the multiphase flow of fluids. Pressure profile has obtained in a one dimensional system solving Darcy’s equation explicitly. Changes of pressure profile in three situations are investigated in this work. These situations include section length changes, step time changes and time approach to infinity. The effects of these changes in pressure profile are shown and discussed in the paper.

Keywords: Explicit solution, Numerical simulation, Petroleum reservoir, Pressure distribution.

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Authors: F. Soleymani, M. Sharifi

Abstract:

Most of the nonlinear equation solvers do not converge always or they use the derivatives of the function to approximate the root of such equations. Here, we give a derivative-free algorithm that guarantees the convergence. The proposed two-step method, which is to some extent like the secant method, is accompanied with some numerical examples. The illustrative instances manifest that the rate of convergence in proposed algorithm is more than the quadratically iterative schemes.

Keywords: Non-linear equation, iterative methods, derivative-free, convergence.

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Authors: A.Tajaddini

Abstract:

In this paper, two matrix iterative methods are presented to solve the matrix equation A1X1B1 + A2X2B2 + ... + AlXlBl = C the minimum residual problem l i=1 AiXiBi−CF = minXi∈BRni×ni l i=1 AiXiBi−CF and the matrix nearness problem [X1, X2, ..., Xl] = min[X1,X2,...,Xl]∈SE [X1,X2, ...,Xl] − [X1, X2, ..., Xl]F , where BRni×ni is the set of bisymmetric matrices, and SE is the solution set of above matrix equation or minimum residual problem. These matrix iterative methods have faster convergence rate and higher accuracy than former methods. Paige’s algorithms are used as the frame method for deriving these matrix iterative methods. The numerical example is used to illustrate the efficiency of these new methods.

Keywords: Bisymmetric matrices, Paige’s algorithms, Least square.

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Authors: Kaoutar Lamrini Uahabi, Mohamed Atounti

Abstract:

In the present work, we consider one category of curves denoted by L(p, k, r, n). These curves are continuous arcs which are trajectories of roots of the trinomial equation zn = αzk + (1 − α), where z is a complex number, n and k are two integers such that 1 ≤ k ≤ n − 1 and α is a real parameter greater than 1. Denoting by L the union of all trinomial curves L(p, k, r, n) and using the box counting dimension as fractal dimension, we will prove that the dimension of L is equal to 3/2.

Keywords: Feasible angles, fractal dimension, Minkowski sausage, trinomial curves, trinomial equation.

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Authors: Nopparat Pochai

Abstract:

Smoke discharging is a main reason of air pollution problem from industrial plants. The obstacle of a building has an affect with the air pollutant discharge. In this research, a mathematical model of the smoke dispersion from two sources and one source with a structural obstacle is considered. The governing equation of the model is an isothermal mass transfer model in a viscous fluid. The finite element method is used to approximate the solutions of the model. The triangular linear elements have been used for discretising the domain, and time integration has been carried out by semi-implicit finite difference method. The simulations of smoke dispersion in cases of one chimney and two chimneys are presented. The maximum calculated smoke concentration of both cases are compared. It is then used to make the decision for smoke discharging and air pollutant control problems on industrial area.

Keywords: Air pollution, Smoke dispersion, Finite element method, Stream function, Vorticity equation, Convection-diffusion equation, Semi-implicit method

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Authors: Ahmad Amiri, Hamed K. Arzani, S. N. Kazi, B. T. Chew

Abstract:

Since graphene nanoplatelet (GNP) is a promising material due to desirable thermal properties, this paper is related to the thermophysical and heat transfer performance of covalently functionalized GNP-based water/ethylene glycol nanofluid through an annular channel. After experimentally measuring thermophysical properties of prepared samples, a computational fluid dynamics study has been carried out to examine the heat transfer and pressure drop of well-dispersed and stabilized nanofluids. The effect of concentration of GNP and Reynolds number at constant wall temperature boundary condition under turbulent flow regime on convective heat transfer coefficient has been investigated. Based on the results, for different Reynolds numbers, the convective heat transfer coefficient of the prepared nanofluid is higher than that of the base fluid. Also, the enhancement of convective heat transfer coefficient and thermal conductivity increase with the increase of GNP concentration in base-fluid. Based on the results of this investigation, there is a significant enhancement on the heat transfer rate associated with loading well-dispersed GNP in base-fluid.

Keywords: Nanofluid, turbulent flow, forced convection flow, graphene, annular, annulus.

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Authors: S. Khali, R. Nebbali, K. Bouhadef

Abstract:

A numerical investigation is performed for non Newtonian fluids flow between two concentric cylinders. The D2Q9 lattice Boltzmann model developed from the Bhatangar-Gross-Krook (LBGK) approximation is used to obtain the flow field for fluids obeying to the power-law model. The inner and outer cylinders rotate in the same and the opposite direction while the end walls are maintained at rest. The combined effects of the Reynolds number (Re) of the inner and outer cylinders, the radius ratio (η) as well as the power-law index (n) on the flow characteristics are analyzed for an annular space of a finite aspect ratio (Γ). Two flow modes are obtained: a primary mode (laminar stable regime) and a secondary mode (laminar unstable regime). The so obtained flow structures are different from one mode to another. The transition critical Reynolds number Re_c from the primary to the secondary mode is analyzed for the co-courant and counter-courant flows. This critical value increases as n increases. The prediction of the swirling flow of non Newtonians fluids in axisymmetric geometries is shown in the present work.

Keywords: Taylor-Couette flows, non Newtonian fluid, Lattice Boltzmann method.

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Authors: Fatemeh Panjeh Ali Beik

Abstract:

In the present work, we propose a new method for solving the matrix equation AXB=F . The new method can be considered as a generalized form of the well-known global full orthogonalization method (Gl-FOM) for solving multiple linear systems. Hence, the method will be called extended Gl-FOM (EGl- FOM). For implementing EGl-FOM, generalized forms of block Krylov subspace and global Arnoldi process are presented. Finally, some numerical experiments are given to illustrate the efficiency of our new method.

Keywords: Matrix equations, Iterative methods, Block Krylovsubspace methods.

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Authors: Marziyeh Halimi, Roushanak Lotfikar, Simin Mansouri Borojeni

Abstract:

In this paper we considered the Neumann problem for the fourth order differential equation. First we define the weighted Sobolev space 2 Wα and generalized solution for this equation. Then we consider the existence and uniqueness of the generalized solution, as well as give the description of the spectrum and of the domain of definition of the corresponding operator.

Keywords: Neumann problem, weighted Sobolev spaces, generalized solution, spectrum of linear operators.2000 mathematic subject classification: 34A05, 34A30.

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Authors: H. Taheri Shahraiyni, B. Ataie Ashtiani

Abstract:

Flow movement in unsaturated soil can be expressed by a partial differential equation, named Richards equation. The objective of this study is the finding of an appropriate implicit numerical solution for head based Richards equation. Some of the well known finite difference schemes (fully implicit, Crank Nicolson and Runge-Kutta) have been utilized in this study. In addition, the effects of different approximations of moisture capacity function, convergence criteria and time stepping methods were evaluated. Two different infiltration problems were solved to investigate the performance of different schemes. These problems include of vertical water flow in a wet and very dry soils. The numerical solutions of two problems were compared using four evaluation criteria and the results of comparisons showed that fully implicit scheme is better than the other schemes. In addition, utilizing of standard chord slope method for approximation of moisture capacity function, automatic time stepping method and difference between two successive iterations as convergence criterion in the fully implicit scheme can lead to better and more reliable results for simulation of fluid movement in different unsaturated soils.

Keywords: Finite Difference methods, Richards equation, fullyimplicit, Crank-Nicolson, Runge-Kutta.

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Authors: Z. El Felsoufi, L. Azrar

Abstract:

This paper studies a mathematical model based on the integral equations for dynamic analyzes numerical investigations of a non-uniform or multi-material composite beam. The beam is subjected to a sub-tangential follower force and elastic foundation. The boundary conditions are represented by generalized parameterized fixations by the linear and rotary springs. A mathematical formula based on Euler-Bernoulli beam theory is presented for beams with variable cross-sections. The non-uniform section introduces non-uniformity in the rigidity and inertia of beams and consequently, more complicated equilibrium who governs the equation. Using the boundary element method and radial basis functions, the equation of motion is reduced to an algebro-differential system related to internal and boundary unknowns. A generalized formula for the deflection, the slope, the moment and the shear force are presented. The free vibration of non-uniform loaded beams is formulated in a compact matrix form and all needed matrices are explicitly given. The dynamic stability analysis of slender beam is illustrated numerically based on the coalescence criterion. A realistic case related to an industrial chimney is investigated.

Keywords: Chimney, BEM and integral equation formulation, non uniform cross section, vibration and Flutter.

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Authors: Hussein Togun, Tuqa Abdulrazzaq, S. N. Kazi, A. Badarudin, M. K. A. Ariffin, M. N. M. Zubir

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Heat transfer and laminar fluid flow over backward facing step with and without obstacle numerically studied in this paper. The finite volume method adopted to solve continuity, momentum and energy equations in two dimensions. Backward facing step without obstacle and with different dimension of obstacle were presented. The step height and expansion ratio of channel were 4.8mm and 2 respectively, the range of Reynolds number varied from 75 to 225, constant heat flux subjected on downstream of wall was 2000W/m², and length of obstacle was 1.5, 3, and 4.5mm with width 1.5mm. The separation length noticed increase with increase Reynolds number and height of obstacle. The result shows increase of heat transfer coefficient for backward facing step with obstacle in compared to those without obstacle. The maximum enhancement of heat transfer observed at 4.5mm of height obstacle due to increase recirculation flow after the obstacle in addition that at backward. Streamline of velocity showing the increase of recirculation region with used obstacle in compared without obstacle and highest recirculation region observed at obstacle height 4.5mm. The amount of enhancement heat transfer was varied between 3-5% compared to backward without obstacle.

Keywords: Separation flow, Backward facing step, Heat transfer, Laminar flow.

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Authors: Li Xiguang

Abstract:

In this paper, by constructing a special non-empty closed convex set and utilizing M¨onch fixed point theory, we investigate the existence of solution for a class of fourth-order singular differential equation in Banach space, which improved and generalized the result of related paper.

Keywords: Banach space, cone, fixed point index, singular differential equation.

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Authors: Changqiao Wu, Guoqing Ding, Xin Chen

Abstract:

In this paper, ways of modeling dynamic measurement systems are discussed. Specially, for linear system with single-input single-output, it could be modeled with shallow neural network. Then, gradient based optimization algorithms are used for searching the proper coefficients. Besides, method with normal equation and second order gradient descent are proposed to accelerate the modeling process, and ways of better gradient estimation are discussed. It shows that the mathematical essence of the learning objective is maximum likelihood with noises under Gaussian distribution. For conventional gradient descent, the mini-batch learning and gradient with momentum contribute to faster convergence and enhance model ability. Lastly, experimental results proved the effectiveness of second order gradient descent algorithm, and indicated that optimization with normal equation was the most suitable for linear dynamic models.

Keywords: Dynamic system modeling, neural network, normal equation, second order gradient descent.

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Authors: Promise A. Azor, Avievie Igodo, Esabai M. Ase

Abstract:

The paper merged the return of premium clause and voluntary contributions to investigate retirees’ investment plan in a defined contributory (DC) pension scheme with a portfolio comprising of a risk-free asset and a risky asset whose price process is described by geometric Brownian motion (GBM). The paper considers additional voluntary contributions paid by members, charge on balance by pension fund administrators and the mortality risk of members of the scheme during the accumulation period by introducing return of premium clause. To achieve this, the Weilbull mortality force function is used to establish the mortality rate of members during accumulation phase. Furthermore, an optimization problem from the Hamilton Jacobi Bellman (HJB) equation is obtained using dynamic programming approach. Also, the Legendre transformation method is used to transform the HJB equation which is a nonlinear partial differential equation to a linear partial differential equation and solves the resultant equation for the value function and the optimal distribution plan under logarithm utility function. Finally, numerical simulations of the impact of some important parameters on the optimal distribution plan were obtained and it was observed that the optimal distribution plan is inversely proportional to the initial fund size, predetermined interest rate, additional voluntary contributions, charge on balance and instantaneous volatility.

Keywords: Legendre transform, logarithm utility, optimal distribution plan, return clause of premium, charge on balance, Weibull mortality function.

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Authors: P. Amatachaya, P. Khantikomol, R. Sangchot, B. Krittacom

Abstract:

The steady-state temperature for one-dimensional transpiration cooling system has been conducted experimentally and numerically to investigate the heat transfer characteristics of combined convection and radiation. The Nickel –Chrome (Ni-Cr) open-cellular porous material having porosity of 0.93 and pores per inch (PPI) of 21.5 was examined. The upper surface of porous plate was heated by the heat flux of incoming radiation varying from 7.7 - 16.6 kW/m2 whereas air injection velocity fed into the lower surface was varied from 0.36 - 1.27 m/s, and was then rearranged as Reynolds number (Re). For the report of the results in the present study, two efficiencies including of temperature and conversion efficiency were presented. Temperature efficiency indicating how close the mean temperature of a porous heat plate to that of inlet air, and increased rapidly with the air injection velocity (Re). It was then saturated and had a constant value at Re higher than 10. The conversion efficiency, which was regarded as the ability of porous material in transferring energy by convection after absorbed from heat radiation, decreased with increasing of the heat flux and air injection velocity. In addition, it was then asymptotic to a constant value at the Re higher than 10. The numerical predictions also agreed with experimental data very well.

Keywords: Convection, open-cellular, radiation, transpiration cooling, Reynolds number.

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Authors: Carine Moussaed, Stephen Wornom, Bruno Koobus, Maria Vittoria Salvetti, Alain Dervieux,

Abstract:

The effects of dynamic subgrid scale (SGS) models are investigated in variational multiscale (VMS) LES simulations of bluff body flows. The spatial discretization is based on a mixed finite element/finite volume formulation on unstructured grids. In the VMS approach used in this work, the separation between the largest and the smallest resolved scales is obtained through a variational projection operator and a finite volume cell agglomeration. The dynamic version of Smagorinsky and WALE SGS models are used to account for the effects of the unresolved scales. In the VMS approach, these effects are only modeled in the smallest resolved scales. The dynamic VMS-LES approach is applied to the simulation of the flow around a circular cylinder at Reynolds numbers 3900 and 20000 and to the flow around a square cylinder at Reynolds numbers 22000 and 175000. It is observed as in previous studies that the dynamic SGS procedure has a smaller impact on the results within the VMS approach than in LES. But improvements are demonstrated for important feature like recirculating part of the flow. The global prediction is improved for a small computational extra cost.

Keywords: variational multiscale LES, dynamic SGS model, unstructured grids, circular cylinder, square cylinder.

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Authors: M.Eskandari-Ghadi, M.Mahmoodian

Abstract:

In this article an isotropic linear elastic half-space with a cylindrical cavity of finite length is considered to be under the effect of a ring shape time-harmonic torsion force applied at an arbitrary depth on the surface of the cavity. The equation of equilibrium has been written in a cylindrical coordinate system. By means of Fourier cosine integral transform, the non-zero displacement component is obtained in the transformed domain. With the aid of the inversion theorem of the Fourier cosine integral transform, the displacement is obtained in the real domain. With the aid of boundary conditions, the involved boundary value problem for the fundamental solution is reduced to a generalized Cauchy singular integral equation. Integral representation of the stress and displacement are obtained, and it is shown that their degenerated form to the static problem coincides with existing solutions in the literature.

Keywords: Cosine transform, Half space, Isotropic, Singular integral equation, Torsion

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Authors: N. M. A. Nik Long, Z. K. Eshkuvatov, M. Yaghobifar, M. Hasan

Abstract:

In this paper the exact solution of infinite boundary integral equation (IBIE) of the second kind with degenerate kernel is presented. Moreover Galerkin method with Laguerre polynomial is applied to get the approximate solution of IBIE. Numerical examples are given to show the validity of the method presented.

Keywords: Approximation, Galerkin method, Integral equations, Laguerre polynomial.

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Authors: M. Bayareh, S. Mortazavi

Abstract:

The migration of a deformable drop in simple shear flow at finite Reynolds numbers is investigated numerically by solving the full Navier-Stokes equations using a finite difference/front tracking method. The objectives of this study are to examine the effectiveness of the present approach to predict the migration of a drop in a shear flow and to investigate the behavior of the drop migration with different drop sizes and non-unity viscosity ratios. It is shown that the drop deformation depends strongly on the capillary number, so that; the proper non-dimensional number for the interfacial tension is the capillary number. The rate of migration increased with increasing the drop radius. In other words, the required time for drop migration to the centreline decreases. As the viscosity ratio increases, the drop rotates more slowly and the lubrication force becomes stronger. The increased lubrication force makes it easier for the drop to migrate to the centre of the channel. The migration velocity of the drop vanishes as the drop reaches the centreline under viscosity ratio of one and non-unity viscosity ratios. To validate the present calculations, some typical results are compared with available experimental and theoretical data.

Keywords: drop migration, shear flow, front-tracking method, finite difference method.

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Authors: Hsuan-Ku Liu

Abstract:

In this paper, the American exchange option (AEO) valuation problem is modelled as a free boundary problem. The critical stock price for an AEO is satisfied an integral equation implicitly. When the remaining time is large enough, an asymptotic formula is provided for pricing an AEO. The numerical results reveal that our asymptotic pricing formula is robust and accurate for the long-term AEO.

Keywords: Integral equation, asymptotic solution, free boundary problem, American exchange option.

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Authors: Katsunori Miura, Kiyoshi Akama, Hiroshi Mabuchi

Abstract:

In the Equivalent Transformation (ET) computation model, a program is constructed by the successive accumulation of ET rules. A method by meta-computation by which a correct ET rule is generated has been proposed. Although the method covers a broad range in the generation of ET rules, all important ET rules are not necessarily generated. Generation of more ET rules can be achieved by supplementing generation methods which are specialized for important ET rules. A Specialization-by-Equation (Speq) rule is one of those important rules. A Speq rule describes a procedure in which two variables included in an atom conjunction are equalized due to predicate constraints. In this paper, we propose an algorithm that systematically and recursively generate Speq rules and discuss its effectiveness in the synthesis of ET programs. A Speq rule is generated based on proof of a logical formula consisting of given atom set and dis-equality. The proof is carried out by utilizing some ET rules and the ultimately obtained rules in generating Speq rules.

Keywords: Equivalent transformation, ET rule, Equation of two variables, Rule generation, Specialization-by-Equation rule

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Authors: Terrance Charles, Zhiyin Yang, Yiling Lu

Abstract:

Heavy trucks are aerodynamically inefficient due to their un-streamlined body shapes, leading to more than of 60% engine power being required to overcome the aerodynamics drag at 60 m/hr. There are many aerodynamics drag reduction devices developed and this paper presents a study on a drag reduction device called Cross Vortex Trap Device (CVTD) deployed in the gap between the tractor and the trailer of a simplified tractor-trailer model. Numerical simulations have been carried out at Reynolds number 0.51×10⁶ based on inlet flow velocity and height of the trailer using the Reynolds-Averaged Navier-Stokes (RANS) approach. Three different configurations of CVTD have been studied, ranging from single to three slabs, equally spaced on the front face of the trailer. Flow field around three different configurations of trap device have been analysed and presented. The results show that a maximum of 12.25% drag reduction can be achieved when a triple vortex trap device is used. Detailed flow field analysis along with pressure contours are presented to elucidate the drag reduction mechanisms of CVTD and why the triple vortex trap configuration produces the maximum drag reduction among the three configurations tested.

Keywords: Aerodynamic drag, cross vortex trap device, truck, RANS.

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Authors: M. Dachyar, Fatkhurrohman

Abstract:

Innovation is being view from four areas of innovation, product, service, technology, and marketing. Whereas customer loyalty is composed of customer expectation, perceived quality, perceived value, corporate image, customer satisfaction, customer trust/confidence, customer commitment, customer complaint, and customer loyalty. This study aimed to investigate the influence of innovation factors to customer loyalty to GSM in the telecom companies where use of products and services. Structural Equation Modeling (SEM) using to analyze innovation factors. It was found the factor of innovation have significant influence on customer loyalty.

Keywords: Innovation, telecommunication, customer loyalty, SEM

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Authors: Saidu Ibrahim, Winston M. W. Shakantu

Abstract:

The problem of construction material waste remains unresolved, as a significant percentage of the materials delivered to some project sites end up as waste which might result in additional project cost. Cost overrun is a problem which affects 90% of the completed projects in the world. The argument on how to eliminate it has been on-going for the past 70 years, but there is neither substantial improvement nor significant solution for mitigating its detrimental effects. Research evidence has proposed various construction cost overruns and material-waste management approaches; nonetheless, these studies failed to give a clear indication on the framework and the equation for managing construction material waste and cost overruns. Hence, this research aims to develop a conceptual framework and a mathematical equation for managing material waste and cost overrun in the construction industry. The paper adopts the desktop methodological approach. This involves comparing the causes of material waste and those of cost overruns from the literature to determine the possible relationship. The review revealed a relationship between material waste and cost overrun that; increase in material waste would result to a corresponding increase in the amount of cost overrun at both the pre-contract and the post contract stages of a project. It was found from the equation that achieving an effective construction material waste management must ensure a “Good Quality-of-Planning, Estimating, and Design Management” and a “Good Quality- of-Construction, Procurement and Site Management”; a decrease in “Design Complexity” which would reduce “Material Waste” and subsequently reduce the amount of cost overrun by 86.74%. The conceptual framework and the mathematical equation developed in this study are recommended to the professionals of the construction industry.

Keywords: Conceptual framework, cost overrun, material waste, project stags.

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Authors: Leila Motamed-Jahromi, Mohsen Hatami, Alireza Keshavarz

Abstract:

This research aims at obtaining the equations of pulse propagation in nonlinear plasmonic waveguides created with As₂S₃ chalcogenide materials. Via utilizing Helmholtz equation and first-order perturbation theory, two components of electric field are determined within frequency domain. Afterwards, the equations are formulated in time domain. The obtained equations include two coupled differential equations that considers nonlinear dispersion.

Keywords: Nonlinear optics, propagation equation, plasmonic waveguide.

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Authors: S. Homrossukon, D. Aromstain

Abstract:

The simple methods used to plan and measure non patterned production system are developed from the basic definition of working efficiency. Processing time is assigned as the variable and used to write the equation of production efficiency. Consequently, such equation is extensively used to develop the planning method for production of interest using one-dimensional stock cutting problem. The application of the developed method shows that production efficiency and production planning can be determined effectively.

Keywords: Production Planning, Parallel Machine, Production Measurement, Cutting and Packing.

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Authors: Mesbah. M. Salem, Mohamed. H. Elhsnawi, Saleh B. Mohamed

Abstract:

An experimental investigation was conducted to study the effect of surface roughness on friction factor and heat transfer characteristics in single-phase fluid flow in a stainless steel micro-tube having diameter of 0.85 mm and average internal surface roughness of 1.7 μm with relative surface roughness of 0.002. Distilled water and R134a liquids were used as the working fluids and testing was conducted with Reynolds numbers ranging from 100 to 10,000 covering laminar, transition and turbulent flow conditions. The experiments were conducted with the micro-tube oriented horizontally with uniform heat fluxes applied at the test section. The results indicated that the friction factor of both water and R134a can be predicted by the Hagen-Poiseuille equation for laminar flow and the modified Miller correlation for turbulent flow and early transition from laminar to turbulent flows. The heat transfer results of water and R134a were in good agreement with the conventional theory in the laminar flow region and lower than the Adam’s correlation for turbulent flow region which deviates from conventional theory.

Keywords: Pressure drop, heat transfer, distilled water, R134a, micro-tube, laminar and turbulent flow.

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Authors: Shiping Zhou, Minggen Cui

Abstract:

This paper investigates the inverse problem of determining the unknown time-dependent leading coefficient in the parabolic equation using the usual conditions of the direct problem and an additional condition. An algorithm is developed for solving numerically the inverse problem using the technique of space decomposition in a reproducing kernel space. The leading coefficients can be solved by a lower triangular linear system. Numerical experiments are presented to show the efficiency of the proposed methods.

Keywords: parabolic equations, coefficient inverse problem, reproducing kernel.

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Authors: Alexander Breitholz, Wolfgang Arlt, Ki-Pung Yoo

Abstract:

Group contribution based models are widely used in industrial applications for its convenience and flexibility. Although a number of group contribution models have been proposed, there were certain limitations inherent to those models. Models based on group contribution excess Gibbs free energy are limited to low pressures and models based on equation of state (EOS) cannot properly describe highly nonideal mixtures including acids without introducing additional modification such as chemical theory. In the present study new a new approach derived from quantum chemistry have been used to calculate necessary EOS group interaction parameters. The COSMO-RS method, based on quantum mechanics, provides a reliable tool for fluid phase thermodynamics. Benefits of the group contribution EOS are the consistent extension to hydrogen-bonded mixtures and the capability to predict polymer-solvent equilibria up to high pressures. The authors are confident that with a sufficient parameter matrix the performance of the lattice EOS can be improved significantly.

Keywords: COSMO-RS, Equation of State, Group contribution, Lattice Fluid, Phase equilibria.

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