S. E. Zakiev, S. A. Kurochkin, E. S. Sorin, E. O. Perepelitsina, Yu. P. Kvurt, G. I. Dzhardimalieva
{"title":"Using Non-Equilibrium Mesoscopic Thermodynamics to Describe the Molecular Mass Distribution of Polymers","authors":"S. E. Zakiev, S. A. Kurochkin, E. S. Sorin, E. O. Perepelitsina, Yu. P. Kvurt, G. I. Dzhardimalieva","doi":"10.1134/S0040579525600780","DOIUrl":"10.1134/S0040579525600780","url":null,"abstract":"<p>Generalized abilities of chain growth and termination are used to describe S.Ya. Frenkel’s model of the distribution of a polymer’s molecular mass and how it is produced. An appropriate equation is proposed and a comparative analysis is performed using experimental results.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"58 5","pages":"1705 - 1710"},"PeriodicalIF":0.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
V. N. Babak, L. P. Didenko, L. A. Sementsova, Yu. P. Kvurt
{"title":"Steam Reforming Natural Gas in a Membrane Reactor with a Nickel Catalyst at High Temperatures","authors":"V. N. Babak, L. P. Didenko, L. A. Sementsova, Yu. P. Kvurt","doi":"10.1134/S0040579525600901","DOIUrl":"10.1134/S0040579525600901","url":null,"abstract":"<p>The steam conversion of various hydrocarbon mixtures, including natural and associated petroleum gases (APGs), has been modeled in a membrane module (MM) with an industrial nickel catalyst and palladium alloy foil in order to obtain pure hydrogen. The working part of the module consists of two cylindrical chambers separated by a membrane partition. The upper chamber is evacuated, while the lower chamber is maintained at atmospheric pressure. With a uniform feed of raw materials along the outer perimeter of the lower chamber, the problem is reduced to finding the flows of water vapor, carbon oxides, hydrogen, and methane and its homologues from the solution of a system of nonlinear ordinary differential equations of the first order. A wide temperature range of 600 K is considered <span>( < T < )</span>1000 K at permissible values of the ratio of water vapor to hydrocarbon mixture flows at the inlet. At a fixed temperature, feedstock flows at the input are found at which the hydrogen yield and hydrocarbon conversion reaches 100%, while the maximum hydrogen flow through the membrane is achieved at the minimum permissible ratios of input flows of water vapor and hydrocarbons for a given mixture. A comparison of calculations with experimental data is carried out for a number of hydrocarbon mixtures at different temperatures and determining parameters.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"58 6","pages":"1839 - 1864"},"PeriodicalIF":0.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
O. M. Gradov, I. V. Zinov’eva, Yu. A. Zakhodyaeva, A. A. Voshkin
{"title":"Erosive Ultrasonic Cleaning of Cathode Material of a Spent NMC Lithium-Ion Batteries","authors":"O. M. Gradov, I. V. Zinov’eva, Yu. A. Zakhodyaeva, A. A. Voshkin","doi":"10.1134/S0040579525600718","DOIUrl":"10.1134/S0040579525600718","url":null,"abstract":"<p>The authors propose a way of using ultrasound to clean cathode material of the aluminum foil of a spent lithium-ion battery. A general diagram of the device’s layout is developed, and the interaction between the main units of the structure is analyzed. The procedure is based on the cavitation effect of the ultrasonic erosion of solids placed in a liquid exposed to ultrasound. An expression is obtained for the depth of the coating layer that is removed from the tape during a single run through all cavitation zones of the device. An analytical and numerical analysis is performed of the dependence of the cleaning rate on the intensity of ultrasound, its frequency, the speed of the tape, and other parameters of the diagram. The possibility of effectively cleaning cathode material off the aluminum foil from an NMC-type lithium-ion battery is demonstrated experimentally.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"58 5","pages":"1640 - 1647"},"PeriodicalIF":0.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Heat and Mass Transfer when Heating and Drying a Spherical Body in Continuously Acting HF and Microwave Electromagnetic Fields","authors":"S. P. Rudobashta, E. M. Kartashov, G. A. Zueva","doi":"10.1134/S0040579525600809","DOIUrl":"10.1134/S0040579525600809","url":null,"abstract":"<p>A study is performed of heat and mass transfer in a spherical body when it is dried in continuously acting HF and microwave electromagnetic fields. A linear (with constant process parameters) problem of heating a spherical body with these types of energy is formulated and solved analytically under conditions of its convective drying with allowance for the convective exchange of heat and mass with the ambient gas environment, both in general and during the first period of drying. In the first case, the intensity of drying is specified as a function of time and expressed using an analytical solution to the problem of mass conductivity (moisture diffusion) under the condition that moisture evaporates near the surface of the body. In the second case, it is assumed that all the heat supplied to the body is spent on evaporating the moisture, and there is thus no heating of the body. The partial vapor pressure near the surface of the sphere is then equal to that of the saturated vapor at the temperature of the sphere’s surface, and the temperature dependence of the saturated vapor pressure is described by Antoine’s equation. Solutions to problems of heating are obtained for the local temperature and the average temperature over the volume of the sphere. The solutions are used to model processes of heat and mass transfer numerically under conditions of convection and a supply of electromagnetic energy. A numerical analysis is performed for the evaporation moisture from the surface of a spherical particle for a process with a constant intensity of drying. The findings allow calculations of the heating of spherical bodies with a supply of electromagnetic energy and convection.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"58 5","pages":"1718 - 1726"},"PeriodicalIF":0.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676495","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
V. P. Meshalkin, E. A. Shulaeva, Yu. F. Kovalenko, N. S. Shulaev
{"title":"Modeling of Production Processes of Polyvinyl Chloride and Caustic Soda, Chlorine, and Hydrogen by Electrolytic Method","authors":"V. P. Meshalkin, E. A. Shulaeva, Yu. F. Kovalenko, N. S. Shulaev","doi":"10.1134/S0040579525600998","DOIUrl":"10.1134/S0040579525600998","url":null,"abstract":"<p>The presented work describes original computer training complexes that differ from the known digital twins of chemical-engineering systems developed in software packages of such modeling environments as Aspen Plus, Visual Modeler, Unisim Design, HYSYS, ChemCad, etc., in the fact that mathematical models were developed for specific processes based on fundamental laws and empirical relationships. The proposed complexes can be used to determine methods for intensifying chemical-technological processes, using knowledge of the parameters of technological environments at the “micro level,” obtained through modeling. A digital twin of the vinyl chloride polymerization process is described, which allows determining the molecular weight distribution of polymer molecules, taking into account the temperature distribution of polymer–monomer particles. The digital twin of the vinyl chloride polymerization process allows determining the physical and chemical properties of polyvinyl chloride during the polymerization process, and will facilitate the analysis of the technological process modes and predict changes in the parameters when emergency situations arise, which will increase the level of problem-free operation. A description is given of a digital twin that simulates the parameters of an electrolyzer in the production of caustic soda, chlorine, and hydrogen, based on the mathematical dependence of the volt–ampere characteristic on the process temperature. The use of a digital twin of the electrolysis process for the production of caustic soda, chlorine, and hydrogen makes it possible to model the process parameters of the electrolyzer, which allows establishing the optimal modes for conducting technological processes and predicting changes in the parameters when emergency situations arise.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"58 6","pages":"1936 - 1944"},"PeriodicalIF":0.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676508","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
V. P. Meshalkin, A. A. Politov, L. E. Lenchenkova, R. N. Yakubov, A. V. Fakhreeva, E. I. Gusarova, A. G. Telin
{"title":"Mechanochemical Processing Technology of Natural Materials for Plugging Oil Wells in Remedial and Isolation Operations","authors":"V. P. Meshalkin, A. A. Politov, L. E. Lenchenkova, R. N. Yakubov, A. V. Fakhreeva, E. I. Gusarova, A. G. Telin","doi":"10.1134/S0040579525600871","DOIUrl":"10.1134/S0040579525600871","url":null,"abstract":"<p>The article discusses the use of novel mechanochemical and mechanoenzymatic technologies for the production of hybrid organic–inorganic materials for the oil industry. The physical phenomena underlying mechanochemical technologies, which determine physicochemical processes in solids and suspensions during their treatment in specialized mechanochemical and hydromechanical reactors, are examined in detail. Natural minerals, plant-based and bio-renewable raw materials, as well as chemical industry and agricultural waste, are used as feedstock for the production of well-cementing materials. Compounding synthetic polymer-based hydrogels with mechanoactivated dispersions enables the development of well-cementing materials with unique properties. The new hybrid hydrogels exhibit both viscoplastic and viscoelastic properties over a wide range of values and are used for well repair operations in oil production. Mechanochemical technologies are environmentally safe and waste-free, while mechanoenzymatic technologies can be regarded as an example of nature-inspired technologies.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"58 6","pages":"1810 - 1818"},"PeriodicalIF":0.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
G. Yu. Nazarova, E. N. Ivashkina, A. V. Antonov, I. A. Samsonov
{"title":"Developing a Two-Phase Bubble Mathematical Model of the Oxidative Regeneration of a Cracking Catalyst","authors":"G. Yu. Nazarova, E. N. Ivashkina, A. V. Antonov, I. A. Samsonov","doi":"10.1134/S0040579525600755","DOIUrl":"10.1134/S0040579525600755","url":null,"abstract":"<p>A mathematical model of the oxidative regeneration of a cracking catalyst is developed that considers the patterns of reactions, the diffusion of reactants, and the hydrodynamics of the process in order to improve the technology by modeling the full cycle of catalyst movement. The model is used to determine the boundaries of the existence of a bubble regime, the parameters for stabilizing the boiling layer, and the optimum conditions for conducting the process. Raising the air flow rate to 27.8 m<sup>3</sup>/s increases the operating speed to 0.386 m/s, destroying the fluidized bed in the regenerator for catalyst particles with sizes of 4 × 10<sup>−5</sup> to 1.6 × 10<sup>−4</sup> m. It is established that the air flow must be no greater than 16.7 and 25 m<sup>3</sup>/s in order to stabilize the fluidized bed in a regenerator of particles with sizes of 8 × 10<sup>−5</sup> to 1×10<sup>−4</sup> m.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"58 5","pages":"1683 - 1693"},"PeriodicalIF":0.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
E. A. Anokhina, D. A. Ramochnikov, A. V. Timoshenko
{"title":"Comparative Analysis of Extractive Distillation Systems with Different Phase States of Side Withdrawal from an Extractive Distillation Column","authors":"E. A. Anokhina, D. A. Ramochnikov, A. V. Timoshenko","doi":"10.1134/S0040579525600974","DOIUrl":"10.1134/S0040579525600974","url":null,"abstract":"<p>The effect of the aggregate state of side withdrawal on the energy consumption of extractive distillation (ED) systems including a side-stream ED column has been studied by the examples of separation of three binary mixtures: acetone–chloroform, acetone–methanol, and benzene–cyclohexane. For each mixture, the optimal parameters in terms of the total energy consumption in column reboilers have been determined for four systems: a conventional double-column system, a system with partially coupled heat and material flows, a system including a side-stream ED column with side withdrawal in the vapor phase, and a system including a side-stream ED column with side withdrawal in the liquid phase. It has been found that the energy consumption in column reboilers of the system with partially coupled heat and material flows and the system including a side-stream ED column is almost the same and lower than in column reboilers of the conventional double-column system. However, the number of theoretical trays (TTs) in the systems with a side-stream ED column is greater than in the systems with partially coupled heat and material flows. It has been found that the aggregate state of side withdrawal barely affects the total energy consumption in column boilers of the systems with a side-stream ED column.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"58 6","pages":"1916 - 1928"},"PeriodicalIF":0.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Analysis of the Separation Processes of Rare-Earth Elements in the Cascade of Mixing and Settle Extractors by Liquid–Liquid Chromatography Methods","authors":"A. E. Kostanyan, D. V. Lobovich, A. A. Voshkin","doi":"10.1134/S004057952560086X","DOIUrl":"10.1134/S004057952560086X","url":null,"abstract":"<p>Liquid extraction methods are currently used for the separation of rare-earth elements (REEs) on an industrial scale, usually implemented in complex multistage systems consisting of multiple mixing and settling extractors. This work is devoted to a theoretical analysis of the processes of separation of REEs in a cascade of mixing–settling extractors in the liquid–liquid chromatography mode. Due to the simplicity of the scheme and the possibility of carrying out separation in one technological operation, the potential of using liquid–liquid chromatography methods for the separation and isolation of concentrated fractions of REEs from aqueous solutions in a cascade of mixing and settling extractors is demonstrated.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"58 6","pages":"1795 - 1809"},"PeriodicalIF":0.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
O. B. Kudryashova, O. I. Gaenko, S. S. Titov, S. D. Sokolov
{"title":"Rapid Neutralization of Acetone Vapors with a Nanodispersed Aerosol of Titanium Dioxide","authors":"O. B. Kudryashova, O. I. Gaenko, S. S. Titov, S. D. Sokolov","doi":"10.1134/S0040579525601177","DOIUrl":"10.1134/S0040579525601177","url":null,"abstract":"<p>A specially dispersed aerosol adsorbent can be used for the rapid removal of hazardous gas emissions from the air. The ability to perform photocatalytic oxidation under ambient conditions further enhances the efficiency of this method for neutralizing hazardous chemicals. Titanium oxide (TiO<sub>2</sub>) is a well-known material with both photocatalytic and adsorption properties, and higher particle dispersion and specific surface area increase its effectiveness. This study experimentally examines the rapid removal of acetone vapors, used as a model for hazardous air contamination, using an aerosol of TiO<sub>2</sub> nanopowder and TiO<sub>2</sub> with the addition of silver particles of various morphologies under ultraviolet (UV) illumination. The initial acetone vapor concentration in the test chamber was approximately 280 ppm. The powder was dispersed in the chamber using a pulse generator at a pressure of 8 atm. UV illumination was provided by an LED lamp with a wavelength of 390 nm. Acetone vapor concentration was measured with an InfraLUM FT-801 Fourier spectrometer, while particle dispersion and concentration were assessed using the LID-2M device, based on small-angle laser scattering. The results show that dispersed TiO<sub>2</sub> powders effectively reduce acetone vapor concentrations by up to 44%, even without UV illumination, where aerosol particles act as adsorbents. The most significant photocatalytic effect under UV illumination was observed for TiO<sub>2</sub>–Ag–SiO<sub>2</sub> aerosols with spherical particles. The key advantage of pulse powder dispersion is its high aerosol generation speed (fractions of a second) and increased dispersion due to the breakup of particle agglomerates under impact, which increases the surface area available for adsorption and chemical reactions. These findings contribute to the development and optimization of aerosol-based methods for neutralizing hazardous gas emissions.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"58 5","pages":"1771 - 1775"},"PeriodicalIF":0.7,"publicationDate":"2025-03-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143676408","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}