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Mathematical modeling of SHS process in heterogeneous reactive powder mixtures
Computer Research and Modeling, 2011, v. 3, no. 2, pp. 147-153Views (last year): 2. Citations: 5 (RSCI).In this paper we present a mathematical model and numerical results on a propagation of the combustion front of the SHS compound, where the rate of chemical reaction at each point of the SHS sample is determined by solving the problem of diffusion and chemical reaction in the reaction cell. We obtained the dependence of the combustion front on the size of the average element of a heterogeneous structure with different values of the diffusion intensity. These dependences agree qualitatively with the experimental data. We studied the effect of activation energy for diffusion on the propagation velocity of combustion front. It is revealed the propagation of the combustion front transforms to an oscillatory regime at increase in activation energy of diffusion. A transition boundary of the combustion front propagation from the steady-state regime to the oscillatory one is defined.
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Numerical simulation of frequency dependence of dielectric permittivity and electrical conductivity of saturated porous media
Computer Research and Modeling, 2016, v. 8, no. 5, pp. 765-773Views (last year): 8.This article represents numerical simulation technique for determining effective spectral electromagnetic properties (effective electrical conductivity and relative dielectric permittivity) of saturated porous media. Information about these properties is vastly applied during the interpretation of petrophysical exploration data of boreholes and studying of rock core samples. The main feature of the present paper consists in the fact, that it involves three-dimensional saturated digital rock models, which were constructed based on the combined data considering microscopic structure of the porous media and the information about capillary equilibrium of oil-water mixture in pores. Data considering microscopic structure of the model are obtained by means of X-ray microscopic tomography. Information about distributions of saturating fluids is based on hydrodynamic simulations with density functional technique. In order to determine electromagnetic properties of the numerical model time-domain Fourier transform of Maxwell equations is considered. In low frequency approximation the problem can be reduced to solving elliptic equation for the distribution of complex electric potential. Finite difference approximation is based on discretization of the model with homogeneous isotropic orthogonal grid. This discretization implies that each computational cell contains exclusively one medium: water, oil or rock. In order to obtain suitable numerical model the distributions of saturating components is segmented. Such kind of modification enables avoiding usage of heterogeneous grids and disregards influence on the results of simulations of the additional techniques, required in order to determine properties of cells, filled with mixture of media. Corresponding system of differential equations is solved by means of biconjugate gradient stabilized method with multigrid preconditioner. Based on the results of complex electric potential computations average values of electrical conductivity and relative dielectric permittivity is calculated. For the sake of simplicity, this paper considers exclusively simulations with no spectral dependence of conductivities and permittivities of model components. The results of numerical simulations of spectral dependence of effective characteristics of heterogeneously saturated porous media (electrical conductivity and relative dielectric permittivity) in broad range of frequencies and multiple water saturations are represented in figures and table. Efficiency of the presented approach for determining spectral electrical properties of saturated rocks is discussed in conclusion.
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Estimation of natural frequencies of torsional vibrations of a composite nonlinearly viscoelastic shaft
Computer Research and Modeling, 2018, v. 10, no. 4, pp. 421-430Views (last year): 27.The article presents a method for linearization the effective function of material instantaneous deformation in order to generalize the torsional vibration equation to the case of nonlinearly deformable rheologically active shafts. It is considered layered and structurally heterogeneous, on average isotropic shafts made of nonlinearly viscoelastic components. The technique consists in determining the approximate shear modulus by minimizing the root-mean-square deviation in approximation of the effective diagram of instantaneous deformation.
The method allows to estimate analytically values of natural frequencies of layered and structurally heterogeneous nonlinearly viscoelastic shaft. This makes it possible to significantly reduce resources in vibration analysis, as well as to track changes in values of natural frequencies with changing geometric, physico-mechanical and structural parameters of shafts, which is especially important at the initial stages of modeling and design. In addition, the paper shows that only a pronounced nonlinearity of the effective state equation has an effect on the natural frequencies, and in some cases the nonlinearity in determining the natural frequencies can be neglected.
As equations of state of the composite material components, the article considers the equations of nonlinear heredity with instantaneous deformation functions in the form of the Prandtl’s bilinear diagrams. To homogenize the state equations of layered shafts, it is applied the Voigt’s hypothesis on the homogeneity of deformations and the Reuss’ hypothesis on the homogeneity of stresses in the volume of a composite body. Using these assumptions, effective secant and tangential shear moduli, proportionality limits, as well as creep and relaxation kernels of longitudinal, axial and transversely layered shafts are obtained. In addition, it is obtained the indicated effective characteristics of a structurally heterogeneous, on average isotropic shaft using the homogenization method previously proposed by the authors, based on the determination of the material deformation parameters by the rule of a mixture for the Voigt’s and the Reuss’ state equations.
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Multidimensional nodal method of characteristics for hyperbolic systems
Computer Research and Modeling, 2021, v. 13, no. 1, pp. 19-32Disclosed is a multidimensional nodal method of characteristics, designed to integrate hyperbolic systems, based on splitting the initial system of equations into a number of one-dimensional subsystems, for which a onedimensional nodal method of characteristics is used. Calculation formulas are given, the calculation method is described in detail in relation to a single-speed model of a heterogeneous medium in the presence of gravity forces. The presented method is applicable to other hyperbolic systems of equations. Using this explicit, nonconservative, first-order accuracy of the method, a number of test tasks are calculated and it is shown that in the framework of the proposed approach, by attracting additional points in the circuit template, it is possible to carry out calculations with Courant numbers exceeding one. So, in the calculation of the flow of the threedimensional step by the flow of a heterogeneous mixture, the Courant number was 1.2. If Godunov’s method is used to solve the same problem, the maximum number of Courant, at which a stable account is possible, is 0.13 × 10-2. Another feature of the multidimensional method of characteristics is the weak dependence of the time step on the dimension of the problem, which significantly expands the possibilities of this approach. Using this method, a number of problems were calculated that were previously considered “heavy” for the numerical methods of Godunov, Courant – Isaacson – Rees, which is due to the fact that it most fully uses the advantages of the characteristic representation of the system of equations.
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The influence of the coal dust composition on the propagation speed of the combustion front of the coal dust with an inhomogeneous particle distribution in the air
Computer Research and Modeling, 2018, v. 10, no. 2, pp. 221-230Views (last year): 18.The problem of the combustion of a gas suspension with an inhomogeneous distribution of particles over space occurs exists for the coal dust suspension combustion in combustion chambers and burners. The inhomogeneous distribution of particles in space can significantly affect the combustion velocity of the aerosolve of coal dust. The purpose of the present work is the numerically study the effect of the inhomogeneous distribution of particles and the composition of the coal dust on the combustion velocity of the coal dust in the air.
The physical and mathematical model of combustion of air-coal dust mixture with an inhomogeneous distribution of coal dust particles over space has been developed. The physical and mathematical formulation of the problem took into account the release of combustible volatile components from the particles upon their heating, the subsequent reaction of volatile components with air, a heterogeneous reaction on the surface of the particles, and the dependence of the thermal conductivity of the gas on temperature.
A parametric study was made of the effect of mass concentration, the content of volatile and the particle size of coal dust on the burning speed of a suspension of coal dust in the air. It is shown that the burning rate is greater for particles with a lower content of volatile components. The influence of the spatial distribution of particles on the burning rate of the coal-air mixture is analyzed. It is shown that the propagation velocity of the combustion front with respect to the suspension with an inhomogeneous particle distribution is higher than the propagation speed of the combustion front with respect to the suspension with a homogeneous particle distribution.
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Numerical simulation of combustion of a polydisperse suspension of coal dust in a spherical volume
Computer Research and Modeling, 2016, v. 8, no. 3, pp. 531-539Views (last year): 2. Citations: 7 (RSCI).The physical and mathematical model of combustion of the polydisperse suspension of coal dust was developed. The formulation of the problem takes into account the evaporation of particle volatile components during the heating, the particle emitting and the gas heat transfer to a surrounding area via the sphere volume side surface, heat transfer coefficient as a function of temperature. The polydisperse of coal-dust is taken into consideration. N — the number of fraction. Fractions are subdivided into inert and reacting particles. The oxidizer mass balance equation takes into consideration the oxidizer consumption per each reaction (heterogeneous on the particle surface and homogenous in the gas). Exothermic chemical reactions in gas are determined by Arrhenius equation with second-order kinetics. The heterogeneous reaction on the particle surface was first-order reaction. The numerical simulation was solved by Runge–Kutta–Merson method. Reliability of the calculations was verified by solving the partial problems. During the numerical calculation the percentage composition of inert and reacting particles in coal-dust and their total mass were changed for each simulation. We have determined the influence of the percentage composition of inert and reacting particles on burning characteristics of polydisperse coal-dust methane-air mixture. The results showed that the percent increase of volatile components in the mixture lead to the increase of total pressure in the volume. The value of total pressure decreases with the increasing of the inert components in the mixture. It has been determined that there is the extremism radius value of coarse particles by which the maximum pressure reaches the highest value.
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Numerical study of intense shock waves in dusty media with a homogeneous and two-component carrier phase
Computer Research and Modeling, 2020, v. 12, no. 1, pp. 141-154The article is devoted to the numerical study of shock-wave flows in inhomogeneous media–gas mixtures. In this work, a two-speed two-temperature model is used, in which the dispersed component of the mixture has its own speed and temperature. To describe the change in the concentration of the dispersed component, the equation of conservation of “average density” is solved. This study took into account interphase thermal interaction and interphase pulse exchange. The mathematical model allows the carrier component of the mixture to be described as a viscous, compressible and heat-conducting medium. The system of equations was solved using the explicit Mac-Cormack second-order finite-difference method. To obtain a monotone numerical solution, a nonlinear correction scheme was applied to the grid function. In the problem of shock-wave flow, the Dirichlet boundary conditions were specified for the velocity components, and the Neumann boundary conditions were specified for the other unknown functions. In numerical calculations, in order to reveal the dependence of the dynamics of the entire mixture on the properties of the solid component, various parameters of the dispersed phase were considered — the volume content as well as the linear size of the dispersed inclusions. The goal of the research was to determine how the properties of solid inclusions affect the parameters of the dynamics of the carrier medium — gas. The motion of an inhomogeneous medium in a shock duct divided into two parts was studied, the gas pressure in one of the channel compartments is more important than in the other. The article simulated the movement of a direct shock wave from a high-pressure chamber to a low–pressure chamber filled with a dusty medium and the subsequent reflection of a shock wave from a solid surface. An analysis of numerical calculations showed that a decrease in the linear particle size of the gas suspension and an increase in the physical density of the material from which the particles are composed leads to the formation of a more intense reflected shock wave with a higher temperature and gas density, as well as a lower speed of movement of the reflected disturbance reflected wave.
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Investigation of the averaged model of coked catalyst oxidative regeneration
Computer Research and Modeling, 2021, v. 13, no. 1, pp. 149-161The article is devoted to the construction and investigation of an averaged mathematical model of an aluminum-cobalt-molybdenum hydrocracking catalyst oxidative regeneration. The oxidative regeneration is an effective means of restoring the activity of the catalyst when its granules are coating with coke scurf.
The mathematical model of this process is a nonlinear system of ordinary differential equations, which includes kinetic equations for reagents’ concentrations and equations for changes in the temperature of the catalyst granule and the reaction mixture as a result of isothermal reactions and heat transfer between the gas and the catalyst layer. Due to the heterogeneity of the oxidative regeneration process, some of the equations differ from the standard kinetic ones and are based on empirical data. The article discusses the scheme of chemical interaction in the regeneration process, which the material balance equations are compiled on the basis of. It reflects the direct interaction of coke and oxygen, taking into account the degree of coverage of the coke granule with carbon-hydrogen and carbon-oxygen complexes, the release of carbon monoxide and carbon dioxide during combustion, as well as the release of oxygen and hydrogen inside the catalyst granule. The change of the radius and, consequently, the surface area of coke pellets is taken into account. The adequacy of the developed averaged model is confirmed by an analysis of the dynamics of the concentrations of substances and temperature.
The article presents a numerical experiment for a mathematical model of oxidative regeneration of an aluminum-cobalt-molybdenum hydrocracking catalyst. The experiment was carried out using the Kutta–Merson method. This method belongs to the methods of the Runge–Kutta family, but is designed to solve stiff systems of ordinary differential equations. The results of a computational experiment are visualized.
The paper presents the dynamics of the concentrations of substances involved in the oxidative regeneration process. A conclusion on the adequacy of the constructed mathematical model is drawn on the basis of the correspondence of the obtained results to physicochemical laws. The heating of the catalyst granule and the release of carbon monoxide with a change in the radius of the granule for various degrees of initial coking are analyzed. There are a description of the results.
In conclusion, the main results and examples of problems which can be solved using the developed mathematical model are noted.
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