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Vol 59, No 3 (2025)

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Articles

Development of the mineral fertilizer industry in the context of increasing resource efficiency and ensuring technological sovereignty

Meshalkin V.P., Skobelev D.O., Popov A.Y., Guseva T.V., Malkov A.V.

Abstract

The system analysis of scientifically substantiated ways of increasing resource efficiency in the conditions of ensuring technological sovereignty of the mineral fertilizer industry is carried out. The organizational structure of the industry production is briefly described, and the directions of its import-independence are formulated. Possible ways, measures and directions to improve the resource efficiency of chemical-technological processes and chemical-technological systems of nitrogen industry, sulfuric acid and nitric acid production, production of extraction phosphoric acid and various types of fertilizers are described. The role of automation of chemical-technological processes and the use of big data in ensuring energy and resource saving is substantiated. Bottlenecks in the technology of mineral fertilizers are revealed. It is emphasized that technological sovereignty of mineral fertilizers industry will ensure import independence and technological leadership in related industries.

Theoretical Foundations of Chemical Engineering. 2025;59(3):3-12
pages 3-12 views

Quantum-chemical modeling of the mechanism of Fe(III) extraction from a hydrochloric acid solution by 1-octanol-based eutectic solvents

Maltseva V.E., Milevskaya A.V., Milevskii N.A., Zakhodyaeva Y.A., Voshkin A.A., Ananiev I.V.

Abstract

Quantum-chemical modeling of the mechanism of Fe(III) extraction from hydrochloric acid solution using hydrophobic eutectic solvents based on 1-octanol has been carried out. It was found that the reaction pathway differs significantly depending on whether the inert component is a donor or acceptor of hydrogen bonding in the dimer with octanol. Based on the evaluation of hydrogen bonding strength, it is shown that weaker interaction between the components simplifies the extraction process according to the proposed mechanism. In addition, according to the results of Born-Oppenheimer molecular dynamics simulations, intermolecular interactions between the components have an influence on the macrokinetics of the process: a strong interaction between the inert component and octanol leads to enhanced aggregation in the organic phase.

Theoretical Foundations of Chemical Engineering. 2025;59(3):13-22
pages 13-22 views

Peculiarities of formation of internal separatrix manifolds in systems of different physicochemical nature

Frolkova A.V., Frolkova A.K., Novruzova A.N.

Abstract

The ultimate possibilities of the process of rectification separation of multicomponent mixtures depend on the features of the structure of the liquid-vapor equilibrium diagram, in particular, on the presence of internal separating surfaces on the diagram. In the present work, the regularities of structure formation of separatrix surfaces of maximum dimensionality for systems of different chemical nature are investigated. For systems with homonymous deviations, when azeotropes relative to constituents of the same constituent are nodal points, we propose an approach to determine the number of saddle-shaped azeotropes of the first and (n-2) order and, respectively, the number of internal separatrix manifolds. The proposed approach is illustrated and confirmed on the example of model systems and industrial mixtures. The expediency of using one of the types of separation (first, second, intermediate) depending on the number and structure of internal separatrix surfaces is shown. The research presented in the article is directed to the development of the fundamental theory of thermodynamics of heterogeneous systems in the part of investigation of the structures of phase diagrams and mechanisms of their formation using thermodynamic and topological analysis within the framework of the general concept of the scientific school of Dr. Leonid Antonovich Serafimov, Professor.

Theoretical Foundations of Chemical Engineering. 2025;59(3):23-33
pages 23-33 views

Extraction of Surfactants with the Use of Sorption Materials Based on Energy Waste

Iskhakova R.Y., Laptev A.G.

Abstract

The problem of wastewater treatment from anionic synthetic surfactants (surfactants) is considered. Sodium lauryl sulfate as the most frequently occurring surfactant getting into the wastewater of enterprises is investigated, the dependence of surface tension decrease at the air-solution boundary at its concentration increase is established. Special attention is paid to sorption methods of surfactant purification. As a sorption material the waste of water treatment plants – sludge of clarifiers of thermal power plants is proposed. The choice of optimal binders, which give the properties of hydrophobicity and buoyancy to the waste necessary for cleaning of this type of contaminants, is carried out. Isotherms of sorption on the developed materials, belonging to type I according to the Brunauer-Emmett-Teller classification,characteristic of microporous materials, wereobtained. Based on the obtained isotherms, the applicability of the Langmuir and Freundlich models was evaluated by calculating the parameters and constants.As a result of mathematical modeling with application of Dubinin-Radushkevich equation, the values of free energy of adsorption on sorption materials (6.6519 and 6.9001 kJ/mol) were obtained, indicating the physical character of adsorption. The developed sorption materials are applicable for local treatment of wastewater from anionic syntheticsurfactantsat enterprises of chemical, machine-building, oil-producing and other industries.

Theoretical Foundations of Chemical Engineering. 2025;59(3):34-43
pages 34-43 views

Calculation of interfacial heat and mass transfer in a spraying apparatus with a conical shape of the phase mixing chamber and one nozzle

Simakov N.N.

Abstract

The paper presents new details of the algorithm and results of calculation of heat and mass transfer of water with air in a conical atomizing apparatus taking into account the early crisis of droplet resistance and the accompanying crisis of heat and mass transfer. The basis of the used mathematical model is non-stationary differential equations of compressible medium flow, supplemented by equations of heat and mass transfer from droplets to gas. In the difference analogs of the continuity and phase motion equations, the well-known explicit Lax-Vendroff scheme is used. The calculated distributions of velocities, phase temperatures, gas pressure, densities of water vapor in air and saturated vapor above the droplet surface in a two-phase flow are presented. In the calculations, in particular, the dependences of the average gas and liquid temperatures in the outlet section of the apparatus and the gas flow rate through it on the gas pressure drop, as well as the liquid temperature on the height of the apparatus are established.

Theoretical Foundations of Chemical Engineering. 2025;59(3):44-52
pages 44-52 views

Selection and justification of hardware design of flexible low-tonnage multi-assortment chemical-technological systems paint industry

Boldyrev V.S., Baibikova V.V.

Abstract

Approaches of realization of flexible multi-assortment chemical-technological systems on the example of production of paint and varnish materials are offered. Methods of scientifically grounded resource-energy efficient engineering of low-tonnage multi-assortment production of paint and varnish products are shown. The algorithm of optimal choice of technological design of flexible multi-assortment chemical-technological systems of production of paint and varnish materials in conditions of fluctuations of consumer demand conjuncture is developed.

Theoretical Foundations of Chemical Engineering. 2025;59(3):53-63
pages 53-63 views

PHASE RANGE AND EXTRACTIONAL PROPERTIES OF DEEP EUTEСTIC SOLVENTS IN ETHANOL-BENZOL SYSTEMS

Samarov A.A., Volodina N.Y., Prikhodko I.V., Toikka A.M.

Abstract

Liquid-liquid phase equilibria in systems containing ethanol, benzene and deep eutectic solvents have been investigated. Deep eutectic solvents based on choline chloride combined with malonic acid, urea and glycerol were studied. Experiments were carried out at a temperature of 293.15 K and atmospheric pressure. The compositions of equilibrium liquid phases were determined by nuclear magnetic resonance spectroscopy. Distribution coefficients of ethanol and benzene, as well as selectivity of deep eutectic solvents were calculated, on the basis of which their extraction ability was compared. The results obtained have implications for the development of processes for the extraction separation of ethanol and benzene mixtures.

Theoretical Foundations of Chemical Engineering. 2025;59(3):64-70
pages 64-70 views

On the possibility of Cu(II) and Fe(III) separation by hydrophobic eutectic solvents based on triisobutylphosphine sulfide

Zinov’eva I.V., Nekrasov V.M., Zakhodyaeva Y.A., Voshkin A.A.

Abstract

The present research work is devoted to studying the possibility of separation of copper(II) and iron(III) ions from hydrochloric acid solutions using hydrophobic eutectic solvents as extractants. New eutectic solvents triisobutylphosphine sulfide/octanol and triisobutylphosphine sulfide/octanoic acid were proposed and characterized for the first time. The eutectic solvents have low viscosity (< 8 mPa s), which makes them technologically suitable extractants. A comparative analysis of the extraction efficiency of Cu(II) and Fe(III) with eutectic solvents, where menthol, octanol and octanoic acid were used as hydrogen bond donor, was carried out. The eutectic solvent based on octanoic acid is of the greatest interest as it is capable of selectively extracting metal ions over a wide range of aqueous phase acidity. In the absence of hydrochloric acid in the stock solution,βFe/Cuwas 1432. The regularities of metal ions extraction at varying conditions of the process: acidity of the aqueous phase, volume ratio of phases and concentration of the salting out agent have been established. The possibility of purification of eutectic solvents from metal ions by different reextractants has been evaluated. The prospectivity of application of the proposed extraction systems for solving the problem of selective extraction of metal ions from technological solutions is shown.

Theoretical Foundations of Chemical Engineering. 2025;59(3):71-82
pages 71-82 views

RECTIFICATION PROCESS INTENSIFICATION AT PARTIAL CONDENSATION

Voinov N.A., Zemtsov D.A., Chernov V.A., Zhukova O.P., Slashchinin D.G., Luneva T.A.

Abstract

The work is aimed at intensification of the rectification process on the example of the study of binary mixture ethanol-water and multicomponent medium (alcohol condensate). The results of experimental studies of rectification at condensation of vapors on the plate surface, as well as on horizontally and vertically installed pipes are presented. It is shown that the efficiency of consolidation and separation of vapor mixture depends on the ratio of liquid and vapor streams, specific heat flux, temperature of the heat transfer surface and on the way of condensate film formation. The value of the temperature difference between the heat transfer medium supplied to the heat exchange surface and the condensing vapors, as well as the specific heat flux released by the condensing vapors, at which the greatest strengthening is achieved, has been established. The process of heat removal during boiling of flowing water film over the heat transfer surface, which provided a relatively low temperature difference during rectification, was realized, and heat transfer coefficients were calculated. The results of separation of multicomponent medium by partial condensation are presented, and the factors influencing the separation efficiency are established. According to the results of researches the deflegmator of the nozzle column has been approved, which allowed to obtain rectified alcohol with ethanol losses less than 1% wt.%.

Theoretical Foundations of Chemical Engineering. 2025;59(3):83-94
pages 83-94 views

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