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Vol 52, No 2 (2018)

Article

Mathematical Modeling of Multicomponent Nonisotherhermic Diffusion in the Process of the Thermal Decomposition of Ammonium Nitrate Melt in a Dispersed Flow

Davidkhanova M.G., Bespalov A.V., Morgunova E.P.

Abstract

The kinetics of the heterogeneous process of the thermal decomposition of condensed substance particles with the formation of gaseous reaction products is considered using an example of the process of obtaining nitrous oxide via the thermal decomposition of the ammonium nitrate melt. A mathematical model has been obtained based on the methods of the thermodynamics of irreversible processes taking into account the thermal phenomena and the multicomponent composition of the reaction products. Using the methods of multicomponent hydrodynamics, expressions of crossed kinetic coefficients determined from the measured physical quantities have been obtained. An analysis was carried out for some particular cases of the process using the developed mathematical model.

Theoretical Foundations of Chemical Engineering. 2018;52(2):157-165
pages 157-165 views

Analysis of the Thermophysical Processes and Operating Modes of Electrothermic Reactor Using a Computer Model

Meshalkin V.P., Panchenko S.V., Dli M.I., Panchenko D.S.

Abstract

Based on the proposed algorithm for the computer simulation of thermophysical processes in an electrothermal ore-reduction reactor, the finite element method was used to analyze the regime parameters of the working volume. In this case, the computer calculation of the interconnected thermal-hydraulic fields has been carried out for the entire volume of the reactor. A comparison of the results of the computational experiment with the experimental data on the reactor survey and physical modeling data has shown quite satisfactory agreement. Based on an analysis of the reactor operation modes, regime maps have been presented that provide an idea of the change in technical and economic indicators depending on the control parameters. This information allows operators to know the trends in the behavior of the reactor when the regime changes.

Theoretical Foundations of Chemical Engineering. 2018;52(2):166-174
pages 166-174 views

Effect of the Parameters of a Vibrating Surface and the Diffusion Properties of a Medium on the Kinetics of Mass Transfer

Semenov I.A., Fereferov M.Y., Ul’yanov B.A., Chernigovskaya M.A., Kulov N.N.

Abstract

The results of studying the effect of solid-surface vibrations on the kinetics of mass transfer in the frequency range of 24–200 Hz and at displacement amplitudes of up to 1.5 mm have been presented. The direct dependence of the mass-transfer coefficient on the cosine of the angle between the normal line to a vibrating surface and the direction of vibrations has been found. The mathematical modeling of the process has shown that there is no significant effect of molecular diffusion on the rate of mass transfer.

Theoretical Foundations of Chemical Engineering. 2018;52(2):175-180
pages 175-180 views

Studying the Operation of a Membrane Module Based on Palladium Foil at High Temperatures

Babak V.N., Didenko L.P., Kvurt Y.P., Sementsova L.A.

Abstract

The hydrogen permeability of membranes made of silver-free palladium alloys with compositions of Pd–In(6%)–Ru(0.5%), Pd–In(6%), Pd–Ru(6%), and Pd–Ru(10%) has been studied on an experimental unit, a multifunctional membrane module, the key element of which is a palladium foil positioned between the chambers for the supply (retentate) and removal (permeate) of a gas mixture. The applicability of the Sieverts equation to these systems has been experimentally proved, and the activation energies and preexponential factors for the corresponding equation have been found. It has been shown that the hydrogen permeability of the studied membranes increases by several times compared to conventional palladium membranes. A theoretical model for the transport of hydrogen through the membrane module in the absence of a pressure differential in the upper and lower chambers and arbitrary compositions of the gas mixtures under separation has been proposed. The experiments carried out within a wide range of variations in the rates of the gas in the chambers have shown the applicability of the proposed model.

Theoretical Foundations of Chemical Engineering. 2018;52(2):181-194
pages 181-194 views

New Adsorption Cycle for Upgrading the Ambient Heat

Gordeeva L.G., Tokarev M.M., Aristov Y.I.

Abstract

Adsorption (chemical) heat transformation (AHT) is a new energy conservation and environmentally friendly technology that allows efficient use of heat sources with low temperature potential. Recently, a new cycle, called “Heat from Cold” (or HeCol) has been proposed to upgrade the temperature potential of the ambient heat. In the HeCol cycle, a natural reservoir of water with a temperature above 0°C is used as a heat source, and ambient air at T = (–20)–(–50)°C as a heat sink. The cycle is designed to produce heat at a temperature of 30–50°C, which can be used for heating of dwellings. The aim of this work is to select the adsorbent for the HeCol cycle and to test the laboratory prototype with the selected adsorbent. The work consists of three parts: (a) formulation of requirements to adsorbent, specialized for the HeCol cycles under various conditions; (b) analysis of data on adsorption equilibrium of commercial activated carbons and selection among them the materials suitable for the new cycle; and c) study of the laboratory prototype HeCol with the chosen adsorbent to analyze the feasibility of the new cycle. The main findings of this study are (i) the experimental demonstration of the HeCol cycle feasibility and (ii) the achievement of the specific heat generation power 8 kW/kg, which is of practical interest.

Theoretical Foundations of Chemical Engineering. 2018;52(2):195-205
pages 195-205 views

Modeling of Microfiltration with Simultaneous Particle Deposition on the Inner and Outer Surfaces of a Membrane

Panov Y.T., Kostakov A.V., Il’in M.I., Fedotov Y.A.

Abstract

A mathematical model for the microfiltration in a dead-end apparatus has been developed. The simultaneous processes of microparticle deposition on the inner and outer surfaces of a membrane have been considered, and the macrokinetics of filtration has been described by a unified system of nonlinear differential equations. The numerical solutions of the model have been analyzed, and the model has been verified.

Theoretical Foundations of Chemical Engineering. 2018;52(2):206-211
pages 206-211 views

Experimental Study of the Temperature Rise in the Frontal Layer of a Structured Porous Metal Catalyst in Air Conversion of Methane

Shigarov A.B., Kirillov V.A., Kuzin N.A., Kireenkov V.V., Brayko A.S.

Abstract

Heat-resistant Ni/MgO block catalysts have been developed on porous nickel carriers for the air conversion of natural gas to synthesis gas. The catalysts were tested under normal pressure, which allowed one to select of a number of samples that demonstrate relatively the low temperature of the frontal layer of the catalytic block of 880–940°C at the inlet temperature of the mixture of 20°C and excess air factor of 0.3. The composition of the mixture at the outlet remained close to thermodynamic equilibrium at a volumetric flow rate of up to 49 000 h–1. It was experimentally established that the temperature of the frontal layer decreases with increasing pressure (2–6 atm), an increase in the frontal layer temperature with an increasing coefficient of excess air (0.31–0.42) and the rate of the inlet mixture (0.30–0.74 m/s). This made it possible to obtain approximate estimates of the areas of exothermic and endothermic reaction stages taking into account external diffusion inhibition based on the analysis of the heat balance equation for the frontal layer of the catalyst.

Theoretical Foundations of Chemical Engineering. 2018;52(2):212-221
pages 212-221 views

Laws of the Formation and Diffusion Properties of Silica and Agarose Gels

Pokusaev B.G., Karlov S.P., Vyaz’min A.V., Nekrasov D.A.

Abstract

The physicochemical and mass-transfer properties were studied for two gels that can be applied in the fabrication of bioreactors using additive manufacturing. The fundamental difference between these gels lies in the mechanisms of their formation from solutions. The first one is a silicic acid gel, which is formed in a chemical reaction and has an irreversible gelling process. The second one is an agarose gel, which is formed from a water solution of agarose upon cooling and turns back into liquid when heated. Studies were performed by optical methods that include the spectroscopy of gel samples during their formation and the visualization of the diffusion fronts of transferred substances. Being nonintrusive, these methods have no effect on the state of samples and do not distort the dynamics of processes. Characteristic patterns of changes in the spectral parameters during gelling were studied for both gels depending on the dispersed phase concentration, which was relevant to the practical application of the gels. New experimental data were obtained on the structure of the gels and the mechanisms of its change during gel aging. The main laws are determined for changes in the diffusion coefficients in the gels with increasing concentration of the dispersed phase.

Theoretical Foundations of Chemical Engineering. 2018;52(2):222-233
pages 222-233 views

The Study of Various Models of the Process of Thermal Treatment of Solid Waste

Suris A.L.

Abstract

Methods for calculating and modeling individual processes that occur during the thermal treatment of solid waste in reactors with constant and variable temperatures of the medium have been considered. Studies of the influence of various mathematical models of the heating of dispersed material on the results of kinetic analysis of the pyrolysis of wood waste have been carried out. The influence of the type of the mathematical model and its parameters on process characteristics have been shown. For the model of material heating that takes into account the change in the local temperature both with time and with coordinate, the dependences of the average nondimensional temperature of material of spherical and cylindrical form on nondimensional time have been proposed for different values of the Biot number.

Theoretical Foundations of Chemical Engineering. 2018;52(2):234-239
pages 234-239 views

Separation of a Binary Mixture on Short-Length Adsorbent Layers

Larin A.V.

Abstract

The separation of a binary mixture on adsorbent layers within a range of efficiency units of 5–200 has been modeled in linear chromatography. The ratios of the components of the mixture have been measured, and it has been shown that the separation factor is only determined by the relative length of the adsorbent layer. It has been found that the velocity of the change in the ratio of the components in the effluent on short-length adsorbent layers changes significantly as opposed to the regularities found earlier based on the plate theory.

Theoretical Foundations of Chemical Engineering. 2018;52(2):240-245
pages 240-245 views

Industrial Trials of a New-Generation Contactor for the Process of the Sulfuric-Acid Alkylation of Isobutane with Olefins

Tsadkin M.A., Badikova A.D.

Abstract

The process of the sulfuric-acid alkylation of isoparaffins with olefins in a new-generation reaction apparatus, namely, the energy-efficient tubular contactor with diffuser–confuser design, which operates in the mode of jet agitation of raw material flows and a catalyst with the arrangement of internal cooling due to partial evaporation of isobutane, has made it possible to obtain high-octane hydrocarbon fractions with a content of 3-methylpentanes of up to 47 wt % and an octane number of up to 92. Energy efficiency has been achieved by eliminating the external cooling of the reaction mass, mechanical agitation, and additional pump-forced circulation equipment. The results of the industrial trials of the new contactor have been described.

Theoretical Foundations of Chemical Engineering. 2018;52(2):246-257
pages 246-257 views

Liquid-Liquid Equilibrium Data for the System N-Octane + Toluene + DES at 293.15 and 313.15 K and Atmospheric Pressure

Samarov A.A., Smirnov M.A., Sokolova M.P., Toikka A.M.

Abstract

Deep eutectic solvents (DESs) are promising alternative for ionic liquids due to their low cost and sustainability. Considerable attention is paid on the ability of DES to replace ionic liquids in the separation of organic liquid mixtures via extraction. In this sense, it is important to determine the physicochemical parameters of liquid-liquid equilibrium for the industrially significant mixtures and deep eutectic solvents. In the present work a mixture of n-octane, toluene and DES based on choline chloride and malonic acid was studied at 293.15, 313.15 K and atmospheric pressure. Tie-lines were obtained and ability of deep eutectic solvents to separate aliphatic-aromatic mixture was analyzed. Experimental liquid-liquid equilibrium data were fit with the NRTL model, and interaction parameters of components were obtained and discussed.

Theoretical Foundations of Chemical Engineering. 2018;52(2):258-263
pages 258-263 views

Effects of Thermal Feed Quality on the Performance of a Divided Wall Distillation Column

Sangal V.K., Kumar V., Mishra I.M.

Abstract

The present work deals with the effect of thermal feed quality on the performance of a divided wall distillation column (DWC). The thermal condition of the feed alters the pressure profile across the two sides of the dividing wall, thereby affecting not only the mass transfer characteristics but also the hydrodynamics of a DWC. It was observed that the natural (feasible) vapor split ratio does not depend on the liquid split ratio and the reflux flow rate when the feed is saturated liquid or sub-cooled liquid (q ≥ 1). However, for q < 1, that is, for two phase (vapor-liquid), saturated vapor, or superheated vapor feed, the liquid split ratio and the reflux flow rate have profound effect on the feasible vapor split ratio, and the pressure profiles are altered significantly. For the stable operation of a DWC, the feed should be either saturated liquid or sub-cooled liquid or the feed quality may be manipulated to adjust the vapor split ratio.

Theoretical Foundations of Chemical Engineering. 2018;52(2):264-270
pages 264-270 views

Equilibrium Modeling of Ternary Adsorption of Phenols onto Modified Activated Carbon

Suresh S., Srivastava V.C., Mishra I.M.

Abstract

The prediction of adsorption equilibria in multicomponent systems is of prime importance. Therefore, the equilibrium adsorption data for the following multicomponent systems have been studied. The present paper deals with the simultaneous removal phenol (P), 4-chlorophenol (CP), 4-nitrophenol (NP) and catechol (C), resorcinol (R), hydroquinone (HQ) onto modified activated carbon (MAC) from ternary mixtures. The BET surface area of SC was found to be 934 m2/g, whereas BJH adsorption/desorption surface area of pores is 53.03/58.15 m2/g. The equilibrium adsorption data were obtained at different initial concentrations (C0 = 50–1000 mg/L), 12 h contact time, 30°C temperature, MAC dosage of 10 mg/L at solution pH. Equilibrium isotherms for the ternary adsorption of P–CP–NP and C–R–HQ onto MAC have been analyzed by using non-modified Langmuir, modified Langmuir, extended Langmuir, extended Freundlich and Sheindorf–Rebuhn–Sheintuch (SRS) models. The competitive Sheindorf–Rebuhn–Sheintuch (SRS) model fits for both ternary adsorption equilibrium data satisfactorily and adequately.

Theoretical Foundations of Chemical Engineering. 2018;52(2):271-285
pages 271-285 views

Mixed Convection of a Bingham Fluid in Differentially Heated Square Enclosure with Partitions

Boutra A., Ragui K., Benkahla Y.K., Labsi N.

Abstract

This paper reports a two-dimensional numerical investigation of mixed convection inside a liddriven square enclosure, completely filled with a non-Newtonian fluid obeying the Bingham model, having two rectangular adiabatic partitions mounted in different dispositions. Due to the problem’ complexity, the latter is solved using finite volume method when the SIMPLER algorithm is adopted for the pressure-velocity coupling. In order to investigate the yield stress effects on flow field and heat transport, we maintain the Richardson number (Gr/Re2) as 0.01, 1 and 10, respectively, which generates a good simulation of forced, mixed and natural convection dominated flow. The Prandtl and Grashof numbers are fixed at 50 and 104, respectively, while the Bingham number covers the range from 0 to 30. The validity of the computing code was ascertained by comparing our results with the numerical ones already available in the literature and that for both cases: Newtonian and non-Newtonian fluid. The phenomenon is analyzed through the streamlines, the isotherms and the Nusselt numbers with special attention to the partitions’ arrangement and its size. It is found that all parameters related to the geometrical dimensions of the partitions play a crucial role on the temperature distribution, flow field and heat transfer enhancement. For all values of the Bingham number, the mean Nusselt number is found as an increasing function of the decrease Richardson number. Thus, the heat transfer improves.

Theoretical Foundations of Chemical Engineering. 2018;52(2):286-294
pages 286-294 views

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