Search results for: reaction equations

Authors: Mei-Hsiu Chi, Jyh-Yang Wu, Sheng-Gwo Chen

Abstract:

The diffusion-reaction equations are important Partial Differential Equations in mathematical biology, material science, physics, and so on. However, finding efficient numerical methods for diffusion-reaction systems on curved surfaces is still an important and difficult problem. The purpose of this paper is to present a convergent geometric method for solving the reaction-diffusion equations on closed surfaces by an O(r)-LTL configuration method. The O(r)-LTL configuration method combining the local tangential lifting technique and configuration equations is an effective method to estimate differential quantities on curved surfaces. Since estimating the Laplace-Beltrami operator is an important task for solving the reaction-diffusion equations on surfaces, we use the local tangential lifting method and a generalized finite difference method to approximate the Laplace-Beltrami operators and we solve this reaction-diffusion system on closed surfaces. Our method is not only conceptually simple, but also easy to implement.

Keywords: Close surfaces, high-order approach, numerical solutions, reaction-diffusion systems.

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Authors: T. G. Emam

Abstract:

The effect of variable chemical reaction on heat and mass transfer characteristics over unsteady stretching surface embedded in a porus medium is studied. The governing time dependent boundary layer equations are transformed into ordinary differential equations containing chemical reaction parameter, unsteadiness parameter, Prandtl number and Schmidt number. These equations have been transformed into a system of first order differential equations. MATHEMATICA has been used to solve this system after obtaining the missed initial conditions. The velocity gradient, temperature, and concentration profiles are computed and discussed in details for various values of the different parameters.

Keywords: Heat and mass transfer, stretching surface, chemical reaction, porus medium.

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Authors: J. Geiser, R. Röhle

Abstract:

In this paper we present discretization and decomposition methods for a multi-component transport model of a chemical vapor deposition (CVD) process. CVD processes are used to manufacture deposition layers or bulk materials. In our transport model we simulate the deposition of thin layers. The microscopic model is based on the heavy particles, which are derived by approximately solving a linearized multicomponent Boltzmann equation. For the drift-process of the particles we propose diffusionreaction equations as well as for the effects of heat conduction. We concentrate on solving the diffusion-reaction equation with analytical and numerical methods. For the chemical processes, modelled with reaction equations, we propose decomposition methods and decouple the multi-component models to simpler systems of differential equations. In the numerical experiments we present the computational results of our proposed models.

Keywords: Chemical reactions, chemical vapor deposition, convection-diffusion-reaction equations, decomposition methods, multi-component transport.

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Authors: Naveed Ahmed, Gunar Matthies

Abstract:

We deal with the numerical solution of time-dependent convection-diffusion-reaction equations. We combine the local projection stabilization method for the space discretization with two different time discretization schemes: the continuous Galerkin-Petrov (cGP) method and the discontinuous Galerkin (dG) method of polynomial of degree k. We establish the optimal error estimates and present numerical results which shows that the cGP(k) and dG(k)- methods are accurate of order k +1, respectively, in the whole time interval. Moreover, the cGP(k)-method is superconvergent of order 2k and dG(k)-method is of order 2k +1 at the discrete time points. Furthermore, the dependence of the results on the choice of the stabilization parameter are discussed and compared.

Keywords: Convection-diffusion-reaction equations, stabilized finite elements, discontinuous Galerkin, continuous Galerkin-Petrov.

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Authors: A.S.N.Murti, D.R.V.S.R.K. Sastry, P.K. Kameswaran, T. Poorna Kantha

Abstract:

In this paper, the effects of radiation, chemical reaction and double dispersion on mixed convection heat and mass transfer along a semi vertical plate are considered. The plate is embedded in a Newtonian fluid saturated non - Darcy (Forchheimer flow model) porous medium. The Forchheimer extension and first order chemical reaction are considered in the flow equations. The governing sets of partial differential equations are nondimensionalized and reduced to a set of ordinary differential equations which are then solved numerically by Fourth order Runge– Kutta method. Numerical results for the detail of the velocity, temperature, and concentration profiles as well as heat transfer rates (Nusselt number) and mass transfer rates (Sherwood number) against various parameters are presented in graphs. The obtained results are checked against previously published work for special cases of the problem and are found to be in good agreement.

Keywords: Radiation, Chemical reaction, Double dispersion, Mixed convection, Heat and Mass transfer

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Authors: Leila Vafajoo, Farhad Khorasheh, Mehrnoosh Hamzezadeh Nakhjavani, Moslem Fattahi

Abstract:

In the present study, a procedure was developed to determine the optimum reaction rate constants in generalized Arrhenius form and optimized through the Nelder-Mead method. For this purpose, a comprehensive mathematical model of a fixed bed reactor for dehydrogenation of heavy paraffins over Pt–Sn/Al2O3 catalyst was developed. Utilizing appropriate kinetic rate expressions for the main dehydrogenation reaction as well as side reactions and catalyst deactivation, a detailed model for the radial flow reactor was obtained. The reactor model composed of a set of partial differential equations (PDE), ordinary differential equations (ODE) as well as algebraic equations all of which were solved numerically to determine variations in components- concentrations in term of mole percents as a function of time and reactor radius. It was demonstrated that most significant variations observed at the entrance of the bed and the initial olefin production obtained was rather high. The aforementioned method utilized a direct-search optimization algorithm along with the numerical solution of the governing differential equations. The usefulness and validity of the method was demonstrated by comparing the predicted values of the kinetic constants using the proposed method with a series of experimental values reported in the literature for different systems.

Keywords: Dehydrogenation, Pt-Sn/Al2O3 Catalyst, Modeling, Nelder-Mead, Optimization

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Authors: Noor Fadiya Mohd Noor

Abstract:

The hydromagnetic flow of a Maxwell fluid past a vertical stretching sheet with thermophoresis is considered. The impact of chemical reaction species to the flow is analyzed for the first time by using the homotopy analysis method (HAM). The h-curves for the flow boundary layer equations are presented graphically. Several values of wall skin friction, heat and mass transfer are obtained and discussed.

Keywords: homotopy, MHD, thermophoresis, chemical reaction, Maxwell

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Authors: Z. Neffah, H. Kahalerras

Abstract:

A numerical study is made in a parallel-plate porous channel subjected to an oscillating flow and an exothermic chemical reaction on its walls. The flow field in the porous region is modeled by the Darcy–Brinkman–Forchheimer model and the finite volume method is used to solve the governing equations. The effects of the modified Frank-Kamenetskii (FKm) and Damköhler (Dm) numbers, the amplitude of oscillation (A), and the Strouhal number (St) are examined. The main results show an increase of heat and mass transfer rates with A and St, and their decrease with FKm and Dm.

Keywords: Chemical reaction, heat transfer, mass transfer, oscillating flow, porous channel.

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Authors: Motahar Reza, Rajni Chahal, Neha Sharma

Abstract:

This article addresses the boundary layer flow and heat transfer of Casson fluid over a nonlinearly permeable stretching surface with chemical reaction in the presence of variable magnetic field. The effect of thermal radiation is considered to control the rate of heat transfer at the surface. Using similarity transformations, the governing partial differential equations of this problem are reduced into a set of non-linear ordinary differential equations which are solved by finite difference method. It is observed that the velocity at fixed point decreases with increasing the nonlinear stretching parameter but the temperature increases with nonlinear stretching parameter.

Keywords: Boundary layer flow, nonlinear stretching, Casson fluid, heat transfer, radiation.

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Authors: Arti Vaish, Harish Parthasarathy

Abstract:

In this paper, a novel wave equation for electromagnetic waves in a medium having anisotropic permittivity has been derived with the help of Maxwell-s curl equations. The x and y components of the Maxwell-s equations are written with the permittivity () being a 3 × 3 symmetric matrix. These equations are solved for Ex , Ey, Hx, Hy in terms of Ez, Hz, and the partial derivatives. The Z components of the Maxwell-s curl are then used to arrive to the generalized Helmholtz equations for Ez and Hz.

Keywords: Electromagnetism, Maxwell's Equations, Anisotropic permittivity, Wave equation, Matrix Equation, Permittivity tensor.

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Authors: Amit Goyal, Alka, Rama Gupta, C. Nagaraja Kumar

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We have solved the Burgers-Fisher (BF) type equations, with time-dependent coefficients of convection and reaction terms, by using the auxiliary equation method. A class of solitary wave solutions are obtained, and some of which are derived for the first time. We have studied the effect of variable coefficients on physical parameters (amplitude and velocity) of solitary wave solutions. In some cases, the BF equations could be solved for arbitrary timedependent coefficient of convection term.

Keywords: Solitary wave solution, Variable coefficient Burgers- Fisher equation, Auxiliary equation method.

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Authors: Yohannes Yirga, Daniel Tesfay

Abstract:

The convective heat and mass transfer in nanofluid flow through a porous media due to a permeable stretching sheet with magnetic field, viscous dissipation, chemical reaction and Soret effects are numerically investigated. Two types of nanofluids, namely Cu-water and Ag-water were studied. The governing boundary layer equations are formulated and reduced to a set of ordinary differential equations using similarity transformations and then solved numerically using the Keller box method. Numerical results are obtained for the skin friction coefficient, Nusselt number and Sherwood number as well as for the velocity, temperature and concentration profiles for selected values of the governing parameters. Excellent validation of the present numerical results has been achieved with the earlier linearly stretching sheet problems in the literature.

Keywords: Heat and mass transfer, magnetohydrodynamics, nanofluid.

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Authors: G.Mehdiyeva, M.Imanova, V.Ibrahimov

Abstract:

Beginning from the creator of integro-differential equations Volterra, many scientists have investigated these equations. Classic method for solving integro-differential equations is the quadratures method that is successfully applied up today. Unlike these methods, Makroglou applied hybrid methods that are modified and generalized in this paper and applied to the numerical solution of Volterra integro-differential equations. The way for defining the coefficients of the suggested method is also given.

Keywords: Integro-differential equations, initial value problem, hybrid methods, predictor-corrector method

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Authors: Yu-Kai Ting, Jia-Ying Tu, Chung-Chun Hsiao

Abstract:

New physical insights into the nonlinear Lorenz equations related to flow resistance is discussed in this work. The chaotic dynamics related to Lorenz equations has been studied in many papers, which is due to the sensitivity of Lorenz equations to initial conditions and parameter uncertainties. However, the physical implication arising from Lorenz equations about convectional motion attracts little attention in the relevant literature. Therefore, as a first step to understand the related fluid mechanics of convectional motion, this paper derives the Lorenz equations again with different forced conditions in the model. Simulation work of the modified Lorenz equations without the viscosity or buoyancy force is discussed. The time-domain simulation results may imply that the states of the Lorenz equations are related to certain flow speed and flow resistance. The flow speed of the underlying fluid system increases as the flow resistance reduces. This observation would be helpful to analyze the coupling effects of different fluid parameters in a convectional model in future work.

Keywords: Galerkin method, Lorenz equations, Navier-Stokes equations.

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Authors: S. Sripinun, K. Suriye, S. Kunjara Na Ayudhyab, P. Praserthdam, S. Assabumrungrat

Abstract:

This work studied the isomerization of 1-butene over hydrotalcite catalyst. The experiments were conducted at various gas hourly space velocity (GHSV), reaction temperature and feed concentration. No catalyst deactivation was observed over the reaction time of 16 hours. Two major reaction products were trans-2- butene and cis-2-butene. The reaction temperature played an important role on the reaction selectivity. At high operating temperatures, the selectivity of trans-2-butene was higher than the selectivity of cis-2-butene while it was opposite at lower reaction temperature. In the range of operating condition, the maximum conversion of 1-butene was found at 74% when T = 673 K and GHSV = 4 m3/h/kg-cat with trans- and cis-2-butene selectivities of 54% and 46%, respectively. Finally, the kinetic parameters of the reaction were determined.

Keywords: Hydrotalcite, isomerization, kinetic, 1-butene.

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Authors: Paola Lecca, Lorenzo Dematte

Abstract:

Reactiondiffusion systems are mathematical models that describe how the concentration of one or more substances distributed in space changes under the influence of local chemical reactions in which the substances are converted into each other, and diffusion which causes the substances to spread out in space. The classical representation of a reaction-diffusion system is given by semi-linear parabolic partial differential equations, whose general form is ÔêétX(x, t) = DΔX(x, t), where X(x, t) is the state vector, D is the matrix of the diffusion coefficients and Δ is the Laplace operator. If the solute move in an homogeneous system in thermal equilibrium, the diffusion coefficients are constants that do not depend on the local concentration of solvent and of solutes and on local temperature of the medium. In this paper a new stochastic reaction-diffusion model in which the diffusion coefficients are function of the local concentration, viscosity and frictional forces of solvent and solute is presented. Such a model provides a more realistic description of the molecular kinetics in non-homogenoeus and highly structured media as the intra- and inter-cellular spaces. The movement of a molecule A from a region i to a region j of the space is described as a first order reaction Ai k- → Aj , where the rate constant k depends on the diffusion coefficient. Representing the diffusional motion as a chemical reaction allows to assimilate a reaction-diffusion system to a pure reaction system and to simulate it with Gillespie-inspired stochastic simulation algorithms. 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 specific speed of reaction and diffusion events. Redi is the software tool, developed to implement the model of reaction-diffusion kinetics and dynamics. It is a free software, that can be downloaded from http://www.cosbi.eu. To demonstrate the validity of the new reaction-diffusion model, the simulation results of the chaperone-assisted protein folding in cytoplasm obtained with Redi are reported. This case study is redrawing the attention of the scientific community due to current interests on protein aggregation as a potential cause for neurodegenerative diseases.

Keywords: Reaction-diffusion systems, Fick's law, stochastic simulation algorithm.

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Authors: Ibrahim Yakubu Seini, Oluwole Daniel Makinde

Abstract:

MHD chemically reacting viscous fluid flow towards a vertical surface with slip and convective boundary conditions has been conducted. The temperature and the chemical species concentration of the surface and the velocity of the external flow are assumed to vary linearly with the distance from the vertical surface. The governing differential equations are modeled and transformed into systems of ordinary differential equations, which are then solved numerically by a shooting method. The effects of various parameters on the heat and mass transfer characteristics are discussed. Graphical results are presented for the velocity, temperature, and concentration profiles whilst the skin-friction coefficient and the rate of heat and mass transfers near the surface are presented in tables and discussed. The results revealed that increasing the strength of the magnetic field increases the skin-friction coefficient and the rate of heat and mass transfers toward the surface. The velocity profiles are increased towards the surface due to the presence of the Lorenz force, which attracts the fluid particles near the surface. The rate of chemical reaction is seen to decrease the concentration boundary layer near the surface due to the destructive chemical reaction occurring near the surface.

Keywords: Boundary layer, surface slip, MHD flow, chemical reaction, heat transfer, mass transfer.

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Authors: Liberty L Mguni, Reinout Meijboom, Kalala Jalama

Abstract:

Nano-MgO was successfully deposited on titania using deposition-precipitation method. The catalyst produced was characterised using FTIR, XRD, BET and XRF and its activity was tested on the transesterification reaction of soybean oil to biodiesel. The catalyst activity improved when the reaction temperature was increasedfrom 150 and 225 OC. It was also observed that increasing the reaction time above 1h had no significant benefit on conversion. The stability fixed MgO on TiO2 was investigated using XRF and ICP-OES. It was observed that MgO loss during the reaction was between 0.5-2.3 percent and that there was no correlation between the reaction temperature and the MgO loss.

Keywords: Nano-MgO, TiO2, transesterification

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Authors: N. Parandin, M. A. Fariborzi Araghi

Abstract:

in this paper, we propose a numerical method for the approximate solution of fuzzy Fredholm functional integral equations of the second kind by using an iterative interpolation. For this purpose, we convert the linear fuzzy Fredholm integral equations to a crisp linear system of integral equations. The proposed method is illustrated by some fuzzy integral equations in numerical examples.

Keywords: Fuzzy function integral equations, Iterative method, Linear systems, Parametric form of fuzzy number.

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Authors: Salah Aljbour, Hiroshi Yamada, Tomohiko Tagawa

Abstract:

A microchannel with two inlets and two outlets was tested as a potential reactor to carry out two-phase catalytic phase transfer reaction with phase separation at the exit of the microchannel. The catalytic phase transfer reaction between benzyl chloride and sodium sulfide was chosen as a model reaction. The effect of operational time on the conversion was studied. By utilizing a multiphase parallel flow inside the microchannel reactor with the aid of a guideline structure, the catalytic phase reaction followed by phase separation could be ensured. The organic phase could be separated completely from one exit and part of the aqueous phase was separated purely and could be reused with slightly affecting the catalytic phase transfer reaction.

Keywords: Green engineering, microchannel reactor, multiphase reaction, process intensification.

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Authors: Andrei A. Kolyshkin

Abstract:

In the present paper some recommendations for the use of software package “Mathematica" in a basic numerical analysis course are presented. The methods which are covered in the course include solution of systems of linear equations, nonlinear equations and systems of nonlinear equations, numerical integration, interpolation and solution of ordinary differential equations. A set of individual assignments developed for the course covering all the topics is discussed in detail.

Keywords: Numerical methods, "Mathematica", e-learning.

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Authors: Gholamreza Hojjati, Kourosh Parand

Abstract:

In this paper we propose a class of second derivative multistep methods for solving some well-known classes of Lane- Emden type equations which are nonlinear ordinary differential equations on the semi-infinite domain. These methods, which have good stability and accuracy properties, are useful in deal with stiff ODEs. We show superiority of these methods by applying them on the some famous Lane-Emden type equations.

Keywords: Lane-Emden type equations, nonlinear ODE, stiff problems, multistep methods, astrophysics.

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Authors: Rui Sun, Tamer M. Ismail, Xiaohan Ren, M. Abd El-Salam

Abstract:

Incineration of municipal solid waste (MSW) is one of the key scopes in the global clean energy strategy. A computational fluid dynamics (CFD) model was established in order to reveal these features of the combustion process in a fixed porous bed of MSW. Transporting equations and process rate equations of the waste bed were modeled and set up to describe the incineration process, according to the local thermal conditions and waste property characters. Gas phase turbulence was modeled using k-ε turbulent model and the particle phase was modeled using the kinetic theory of granular flow. The heterogeneous reaction rates were determined using Arrhenius eddy dissipation and the Arrhenius-diffusion reaction rates. The effects of primary air flow rate and temperature in the burning process of simulated MSW are investigated experimentally and numerically. The simulation results in bed are accordant with experimental data well. The model provides detailed information on burning processes in the fixed bed, which is otherwise very difficult to obtain by conventional experimental techniques.

Keywords: Computational Fluid Dynamics (CFD) model, Waste Incineration, Municipal Solid Waste (MSW), Fixed Bed, Primary air.

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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: Fuziyah Ishak, Siti Norazura Ahmad

Abstract:

Volterra integro-differential equations appear in many models for real life phenomena. Since analytical solutions for this type of differential equations are hard and at times impossible to attain, engineers and scientists resort to numerical solutions that can be made as accurately as possible. Conventionally, numerical methods for ordinary differential equations are adapted to solve Volterra integro-differential equations. In this paper, numerical solution for solving Volterra integro-differential equation using extended trapezoidal method is described. Formulae for the integral and differential parts of the equation are presented. Numerical results show that the extended method is suitable for solving first order Volterra integro-differential equations.

Keywords: Accuracy, extended trapezoidal method, numerical solution, Volterra integro-differential equations.

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Authors: Ahmet Tekcan

Abstract:

Let k, t, d be arbitrary integers with k ≥ 2, t ≥ 0 and d = k2 - k. In the first section we give some preliminaries from Pell equations x2 - dy2 = 1 and x2 - dy2 = N, where N be any fixed positive integer. In the second section, we consider the integer solutions of Pell equations x2 - dy2 = 1 and x2 - dy2 = 2t. We give a method for the solutions of these equations. Further we derive recurrence relations on the solutions of these equations

Keywords: Pell equation, solutions of Pell equation.

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Authors: Peiangpob Monnuanprang

Abstract:

In this paper we study the transformation of Euler equations  1 , u u u Pf t (ρ ∂) + ⋅∇ = − ∇ + ∂ G G G G ∇⋅ = u 0, G where (ux, t) G G is the velocity of a fluid, P(x, t) G is the pressure of a fluid andρ (x, t) G is density. First of all, we rewrite the Euler equations in terms of new unknown functions. Then, we introduce new independent variables and transform it to a new curvilinear coordinate system. We obtain the Euler equations in the new dependent and independent variables. The governing equations into two subsystems, one is hyperbolic and another is elliptic.

Keywords: Euler equations, transformation, hyperbolic, elliptic

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Authors: Rafat Alshorman, Safwan Al-Shara', I. Obeidat

Abstract:

Most real world systems express themselves formally as a set of nonlinear algebraic equations. As applications grow, the size and complexity of these equations also increase. In this work, we highlight the key concepts in using the homotopy analysis method as a methodology used to construct efficient iteration formulas for nonlinear equations solving. The proposed method is experimentally characterized according to a set of determined parameters which affect the systems. The experimental results show the potential and limitations of the new method and imply directions for future work.

Keywords: Nonlinear Algebraic Equations, Iterative Methods, Homotopy Analysis Method.

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Authors: Joe Imae, Kenjiro Shinagawa, Tomoaki Kobayashi, Guisheng Zhai

Abstract:

We propose a new approach on how to obtain the approximate solutions of Hamilton-Jacobi (HJ) equations. The process of the approximation consists of two steps. The first step is to transform the HJ equations into the virtual time based HJ equations (VT-HJ) by introducing a new idea of ‘virtual-time’. The second step is to construct the approximate solutions of the HJ equations through a computationally iterative procedure based on the VT-HJ equations. It should be noted that the approximate feedback solutions evolve by themselves as the virtual-time goes by. Finally, we demonstrate the effectiveness of our approximation approach by means of simulations with linear and nonlinear control problems.

Keywords: Nonlinear Control, Optimal Control, Hamilton-Jacobi Equation, Virtual-Time

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Authors: Gulgassyl Nugmanova, Zhanat Zhunussova, Kuralay Yesmakhanova, Galya Mamyrbekova, Ratbay Myrzakulov

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In this paper, we consider some integrable Heisenberg Ferromagnet Equations with self-consistent potentials. We study their Lax representations. In particular we derive their equivalent counterparts in the form of nonlinear Schr¨odinger type equations. We present the integrable reductions of the Heisenberg Ferromagnet Equations with self-consistent potentials. These integrable Heisenberg Ferromagnet Equations with self-consistent potentials describe nonlinear waves in ferromagnets with some additional physical fields.

Keywords: Spin systems, equivalent counterparts, integrable reductions, self-consistent potentials.

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