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Vol 52, No 1 (2018)

Article

Modeling and Modernization of Tray Towers for Reactive Distillation Processes

Laptev A.G., Karpeev S.V., Lapteva E.A.

Abstract

The velocity, temperature, and concentration fields on a bubble tray were numerically modeled for a reactive distillation process using a two-dimensional mathematical model of momentum, mass, and heat transfer phenomena as a basis. The Murphree mass transfer efficiency matrix has been obtained. Some engineering solutions for modernizing an industrial plant for separating a ternary mixture with the possibility of increasing the initial mixture processing capacity by 25% and improving the efficiency of the reactive distillation process have been considered.

Theoretical Foundations of Chemical Engineering. 2018;52(1):1-10
pages 1-10 views

Kinetics of Nonequimolar Mass Transfer in Multicomponent Gas (Vapor)–Liquid Systems

Telyakov E.S., Osipova L.E., Ponikarov A.S.

Abstract

Transformation of the velocity and concentration profiles in a diffusion boundary layer in the presence of a transverse mass flow through the interface complicates the use of widely known phenomenological relationships in the description of diffusion mass flows. Taking this into consideration, a new formulation of the mass-transfer equation has been proposed that adequately describes the mass transfer in binary and multicomponent mixtures. It has been shown that the new structure of the mass-transfer equation is in good agreement with the experimental data for a large variety of separation processes in the gas (vapor)–liquid systems (evaporation, condensation, distillation, etc.), as well as with the similarity criteria specially introduced for taking into consideration transverse mass flows. The versatility and adequacy of the proposed configuration of the mass-transfer equation has been proved.

Theoretical Foundations of Chemical Engineering. 2018;52(1):11-23
pages 11-23 views

Analysis and Modeling of the Hydroisomerization Process for n-Hexane

Pisarenko E.V., Ponomarev A.B., Pisarenko V.N.

Abstract

A stage six-path mechanism for the reaction of n-hexane hydroisomerization on a BEA Pt-zeolite catalyst has been proposed. The mass flow rate of n-hexane in the feed stream varies in the range of 0.7−2.8 h−1; the mole ratio of hydrogen to the n-hexane range of 2.7–14.6; the reactor temperature falls in the range from 453 to 573 K; and the gas flow pressure varies in the range of 1.0–10.0 atm. Thirty experiments have been carried out. In the product stream, the concentrations of n-hexane, 2-methylpentane, 3-methylpentane, 2,2-dimethylbutane, 2,3-dimethylbutane, propane, C1-alkanes, and C2-alkanes are analyzed by gas chromatography. A kinetic model has been constructed for the six-path mechanism of the reaction of n-hexane hydroisomerization, which contains 15 kinetic constants. Based on the results of laboratory experiments, the kinetic constants of the model have been estimated by the method of nonlinear least squares. The model has been shown to correspond with the experiment in the selected field of experimentation.

Theoretical Foundations of Chemical Engineering. 2018;52(1):24-34
pages 24-34 views

Thermally Activated Chemical Technology Processes of Agglomeration of Phosphorites

Bobkov V.I., Borisov V.V., Dli M.I., Meshalkin V.P.

Abstract

The chemical technology processes that are of practical importance in the chemical technology system for thermal treatment of raw materials such as drying, coke combustion, decarbonization of phosphorites, melting of batch particles, formation of agglomerated cake, and moisture vapor condensation in lower beds were studied. These processes are thermally activated and proceed during agglomeration in the phosphate raw material. The results of the experimental studies of the sintering kinetics of the phosphate raw materials were presented. A multifactor dependence was revealed in the agglomeration processes under study. Increased resistance to the movement of the heat carrier gas was observed in the melting and fit agglomerate zones, which led to a decrease in the rate of filtration of the heat carrier gas through the bed and worsened the conditions of the chemical technology processes.

Theoretical Foundations of Chemical Engineering. 2018;52(1):35-41
pages 35-41 views

Mathematical Simulation of the Kinetics of Supercritical Fluid-Extraction Regeneration of a Heterogeneous Catalyst

Sarimov N.N., Galimova A.T., Khazipov M.R., Sagdeev A.A., Gumerov F.M.

Abstract

A mathematical model that describes the kinetics of the extractional regeneration of a heterogeneous catalyst by a solvent, including that in its supercritical state, has been proposed. A comparison of the results of numerical and real experiments reveals their qualitative compliance over the entire time range of the process, as well as the quantitative agreement between them within the time range that corresponds to the high saturation of the catalyst with deactivating compounds.

Theoretical Foundations of Chemical Engineering. 2018;52(1):42-49
pages 42-49 views

Mathematical Modeling of the Extraction of the Target Component from Plate-Shaped Bodies in a Semicontinuous Process

Rudobashta S.P., Kosheleva M.K., Kartashov E.M.

Abstract

The problem on the kinetics of extraction of the target component (technological contaminant) from plate-shaped bodies in an apparatus for a semi-continuous (periodic for the solid and continuous for the liquid phase) process in which the liquid phase is completely mixed was formulated and solved analytically. The process kinetics was analyzed by the numerical method at different specific consumptions of the liquid phase. Recommendations were given on the use of the solution for calculating the kinetics of extraction of technological contaminants from textile materials during washing in the chemical finishing technology.

Theoretical Foundations of Chemical Engineering. 2018;52(1):50-56
pages 50-56 views

Kinetic Simulation of Initiated Cracking of Tar

Gartman T.N., Sovetin F.S., Podsekina Y.I., Shvets V.F., Kozlovskii R.A., Sapunov V.N.

Abstract

A kinetic model of the isothermal initiated cracking of tar has been developed, and parameters of the reactions have been found. A computer model of isothermal thermo-oxidative cracking of tar is implemented to determine kinetic constants, and a criterion for mismatching the calculated and experimental data is minimized. The kinetic simulation of the process has been carried out in isothermal regime so that the parameters that allow for increase in yield of target products have been determined.

Theoretical Foundations of Chemical Engineering. 2018;52(1):57-63
pages 57-63 views

Estimating the Limiting Rate of Dilution in Technology for Lactic Acid Production by Continuous Fermentation

Gordeeva Y.L., Borodin A.V., Gordeev L.S.

Abstract

The estimation of the dilution rate in a fermenter is associated with biotechnological features. The time of residence of the stream of substrates in the fermenter should ensure the growth of the microbial population. In other words, if the dilution rate D is higher or equal to the limiting value Dlim, synthesis has no time to take place and, as a consequence, no product (specifically lactic acid) is formed. In this study, as a result of mathematical modeling, the technological parameter D< Dlim has been calculated, which ensures real conditions for the practical implementation of the continuous process of lactic acid production.

Theoretical Foundations of Chemical Engineering. 2018;52(1):64-66
pages 64-66 views

Increasing the Efficiency of the Electroflotation Recovery of Finely Dispersed Carbon Material in the Presence of Surfactants from Liquid Technogenic Waste

Kolesnikov V.A., Desyatov A.V., Milyutina A.D., Kolesnikov A.V.

Abstract

The electroflotation recovery of a finely dispersed carbon material, namely, carbon nanoflakes, from aqueous solutions in the pH range of 3.0–11.0 in the presence of different forms of surfactants has been experimentally studied. The electroflotation of carbon nanoflakes from aqueous solutions with the addition of the FeCl3 coagulant has been investigated. The experimental dependences of the degree of recovery and the electrokinetic potential on the pH value of the medium in the presence and absence of a coagulating agent have been derived. The optimal values of characteristics such as the pH value of the medium, volumetric current density, electroflotation time, and the initial concentrations of Fe3+ ions and surfactants for effective electroflotation of carbon nanoflakes have been found.

Theoretical Foundations of Chemical Engineering. 2018;52(1):67-73
pages 67-73 views

Study of the Oxidation Rate of Fe2+ Ions in Water during Air Bubbling

Averina Y.M., Asnis N.A., Vagramyan T.A., Men’shikov V.V.

Abstract

The influence of the specific surface area of air bubbles in the process of bubbling on the oxidation rate of Fe2+ ions of model solutions prepared using distilled water with the addition of Fe2+ ions in the form of iron(II) sulfate (pure grade). The dependences of the rate of Fe2+ oxidation in water during air bubbling have been found.

Theoretical Foundations of Chemical Engineering. 2018;52(1):74-77
pages 74-77 views

Study and Modeling of Polymer Degradation in Bulk

Tikhomirov S.G., Podvalny S.L., Khvostov A.A., Karmanova O.V., Bityukov V.K.

Abstract

A mathematical description of the time dependence of the technological properties (Mooney viscosity, processability factor) and structural characteristics (molecular weight and molecular weight distribution parameters) based experimental study of the degradation of polymer in bulk, has been developed. Samples of a butadiene-styrene copolymer with different contents of a high-molecular fraction introduced for varying initial Mooney viscosity have been studied. The processing properties of the polymer have been monitored using rotational viscosimetry. The rate constants of degradation have been estimated. The obtained dependences can be used both to create polymer compositions with controlled properties and to develop process control systems. The developed mathematical description is based on both controllable and control parameters (initial, current and limit viscosity, temperature, concentration of the macroradicals, the activation energy, and the constants of the degradation rate at different stages of the process, etc.).

Theoretical Foundations of Chemical Engineering. 2018;52(1):78-86
pages 78-86 views

Mathematical Modeling of Effective Systems of Reactors with Flow-Through 3D Electrodes

Koshev A.N., Varentsov V.K.

Abstract

The problem of calculating and optimizing the functioning of various schemes of connections of electrochemical reactors has been considered with flow-through 3D electrodes from carbon fibrous materials with circulation and direct and combined feeding of the treated solution during the electrodeposition of metals from multicomponent electrolytes taking into account the change in the initial parameters of the electrode, electrode reactions, and conditions during electrolysis.

Theoretical Foundations of Chemical Engineering. 2018;52(1):87-96
pages 87-96 views

Effect of the Preparation Conditions of Carbon Fiber Adsorbents on Their Adsorption Capacity

Lyashenko S.E., Soboleva I.V., Drobyshev V.M.

Abstract

Carbon fiber adsorbents based on hydrated cellulose fiber, in which the transport porosity is absent, due to which the micropores become readily accessible towards adsorptive molecules have been studied. The aim of this work is to study the influence of the conditions of sorbent synthesis on their adsorption properties. The state of the surface of pristine carbon fiber has been determined, and the porous structure of activated carbon fibers has been estimated. It has been found that, when activating the cloth with a temperature of heat treatment of 1070–1270 K, it becomes possible to obtain the adsorbent with good molecular-sieve characteristics, although with the relatively small micropore volume. It has been suggested that it is linked with the restructuring of the carbon fiber structure that takes place at the activation temperature in cloths. During the study, it has been experimentally found and confirmed that the adsorption properties of sorbents obtained differ depending on the synthesis conditions and the surface state.

Theoretical Foundations of Chemical Engineering. 2018;52(1):97-101
pages 97-101 views

Amplitude–Frequency Analysis of High-Pressure Pulses in the Confuser of a Complex Technological Pipeline

Kantyukov R.A.

Abstract

Methods of estimating the vibrational effect of high-pressure pulses on the confuser of the complex technological pipeline have been presented. Hydrodynamic calculations are performed using the Ansys Fluent software package. To analyze the propagation of high-pressure pulses, time series of hydrodynamic variables have been constructed at several points of the model confuser located on the axis of the pipeline. Two linear stationary hydrodynamic models of the confuser have been constructed, and the possibility of their use in modeling the nonstationary propagation processes of high-pressure pulses has been studied. It has been established that, with an accuracy of more than 90%, the studied unsteady hydrodynamic processes in the confuser can be described by linear stationary models. An analysis of the amplitude–frequency characteristics of the confuser using these models showed that an approximately 100-bar impact on the confuser of pressure pulses is permissible and leads to pulsations of pressure with a signal-to-noise ratio of 110 dB, which does not exceed the maximum permissible level of pressure pulsations.

Theoretical Foundations of Chemical Engineering. 2018;52(1):102-111
pages 102-111 views

Analysis of the Centrifugal Filtration Process in a Rotor with a Conic Filter Surface

Zhukov V.G., Chesnokov V.M.

Abstract

The centrifugal filtration process in a centrifuge with a conic filter surface has been analyzed under the assumption of a one-dimensional flow. The problem of calculating the process parameters, such as the speed, the filtrate production capacity, and the liquid pressure, has been solved. The solution is illustrated based on an example of calculations for these parameters and presented in the form of their plots. The obtained plots reflect the specific process features and confirm the validity of the one-dimensional problem formulation.

Theoretical Foundations of Chemical Engineering. 2018;52(1):112-121
pages 112-121 views

Local Turbulent Energy Dissipation Rate in an Agitated Vessel: Experimental and Turbulence Scaling

Ditl P., Šulc R., Pešava V., Jašíkova D., Kotek M., Kopecký V., Kysela B.

Abstract

The hydrodynamics and the flow field in an agitated vessel were measured using 2-D time resolved particle image velocimetry (2-D TR PIV). The experiments were carried out in fully baffled cylindrical flat bottom vessels 300 and 400 mm in inner diameter. The 300 mm inner diameter tank was agitated by a Rushton turbine 100 mm in diameter, and the 400 mm inner diameter tank was agitated by a Rushton turbine 133 mm in diameter. Three liquids of different viscosities were used as the agitated liquid: (i) distilled water (ν = 9.35 × 10–7 m2/s), (ii) a 28 vol % aqueous solution of glycol (ν = 2 × 10–6 m2/s), and (iii) a 43 vol % aqueous solution of glycol (ν = 3 × 10–6 m2/s). The velocity fields were measured at an impeller rotation speed in the range from 300 to 850 rpm, which covers the Reynolds number range from 50000 to 189000. This means that fullydeveloped turbulent flow was reached. The experiments were performed to investigate the applicability of the following relations: ε* = ε/(u4/ν) = const, vK/u = const, Λ/ηK = const, τΛK = const, ε* = ε/((Nd)4/ν) = const, Λ/d ∝ Re–1, ηK/d ∝ Re–1, vK/(Nd) = const, NτΛ ∝ R–1, NτK ∝ Re–1, and ε/(Nq) ∝ Re. These formulas were theoretically derived in our previous work, using turbulence theory, in particular, using turbulence spectrum analysis. The correctness of the proposed relations is investigated by statistical hypothesis testing.

Theoretical Foundations of Chemical Engineering. 2018;52(1):122-134
pages 122-134 views

Computational Fluid Dynamics of Co-Production of Zinc and Syngas in a Solar Reactor

Neshat M.A., Kiani M., Hassanzadeh S., Jeidi S., Fathi A., Yaghoubi H.

Abstract

In this paper, the production of Zn and H2 in a 4 kW solar reactor has been investigated. Utilization of a renewable energy source increases the importance of this work. The effect of changes in reactor geometry was analyzed, and, with changing different parameters, their effects were investigated. At constant thermal energy rate, with increasing CH4 inlet gas flow rate there is a decrease in reaction chamber temperature and therefore in reactor efficiency. Increasing rotation of reaction chamber causes its temperature to increase, where an increase of 150% in rotation caused a 1% increase in efficiency. With the increase in thermal energy rate, thermal efficiency was increased. Also, with increasing rate of thermal energy, the rate of chemical reaction that produces Zn and H2 increased. The geometry used in the light beams concentrator section causes the occurrence of maximum temperature in the desired point (cylindrical chamber) which increases system efficiency significantly.

Theoretical Foundations of Chemical Engineering. 2018;52(1):135-145
pages 135-145 views

Mathematical Model of the Phase Diagrams of Ionic Liquids-Based Aqueous Two-Phase Systems Using the Group Method of Data Handling and Artificial Neural Networks

Shahriari S., Atashrouz S., Pazuki G.

Abstract

Development of ionic liquid-based aqueous two-phase systems as a new viewpoint in the expansion of research in the field of biological materials separation depends on accurate determination of phase diagram. In this work, the efficiency of artificial neural network was studied aiming to forecast the formation possibility of phase diagrams of aqueous two-phases systems for the ability of range of ionic liquids composed of different anions with a selected salt. In order to investigate effects of the anion of ionic liquids on phase diagram, this study was performed on 472 of experimental data. On the basis of the accurate set of statistical measurements obtained, a good agreement between the experimental data points and the predicted values was gained. Furthermore, the group method of data handling was applied to model the molality of ionic liquids and a reasonable agreement was obtained between experimental data and the predicted values of this model.

Theoretical Foundations of Chemical Engineering. 2018;52(1):146-155
pages 146-155 views