Theoretical Foundations of Chemical Engineering最新文献

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Development of the Direction of Replacing Natural Rubber in Elastomeric Materials 弹性材料中替代天然橡胶方向的发展
IF 0.4 4区 工程技术
Theoretical Foundations of Chemical Engineering Pub Date : 2026-07-23 DOI: 10.1134/S0040579526601020
S. V. Chernyshov, L. R. Lyusova, L. S. Shibryaeva
{"title":"Development of the Direction of Replacing Natural Rubber in Elastomeric Materials","authors":"S. V. Chernyshov,&nbsp;L. R. Lyusova,&nbsp;L. S. Shibryaeva","doi":"10.1134/S0040579526601020","DOIUrl":"10.1134/S0040579526601020","url":null,"abstract":"<p>This review examines current issues related to replacing natural rubber in rubber products. The first section of the review compares the structure and properties of natural rubber and synthetic isoprene rubber, showing the differences. The main reasons for the high cohesive strength of natural rubber are shown. The second section examines the main methods for replacing natural rubber in rubber compounds and provides an analysis of them, showing the advantages and disadvantages of each method. Based on the analysis, it is established that the most accessible and cost-effective way to replace natural rubber is to create a synthetic material, based on which rubber compounds and rubbers will be close in properties to natural rubber. An analysis of methods for increasing the cohesive strength of synthetic isoprene rubber is carried out, which will make it possible to create a material with properties close to those of natural rubber, and the most effective and accessible method is determined, i.e., the use polymer mixtures. It is shown that the combination of synthetic polyisoprene with polyethylene and other polymers makes it possible to improve the basic properties of elastomeric materials based on synthetic isoprene rubber to the properties of elastomeric materials based on natural rubber, in particular the cohesive strength of the rubber compound and the modulus and fatigue characteristics of the rubber.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"59 6","pages":"1683 - 1691"},"PeriodicalIF":0.4,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148552983","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}
引用次数: 0
Optimization of Three-Phase Extraction Process Schemes in a Cascade of Mixing-Settler Devices 级联混合-沉淀装置中三相萃取工艺方案的优化
IF 0.4 4区 工程技术
Theoretical Foundations of Chemical Engineering Pub Date : 2026-07-23 DOI: 10.1134/S0040579526600816
A. E. Kostanyan, D. V. Lobovich, Yu. A. Zakhodyaeva, A. I. Yamchuk, E. M. Ivannikova, A. A. Voshkin, A. Yu. Tsivadze
{"title":"Optimization of Three-Phase Extraction Process Schemes in a Cascade of Mixing-Settler Devices","authors":"A. E. Kostanyan,&nbsp;D. V. Lobovich,&nbsp;Yu. A. Zakhodyaeva,&nbsp;A. I. Yamchuk,&nbsp;E. M. Ivannikova,&nbsp;A. A. Voshkin,&nbsp;A. Yu. Tsivadze","doi":"10.1134/S0040579526600816","DOIUrl":"10.1134/S0040579526600816","url":null,"abstract":"<p>A theoretical analysis of various options for organizing the associated extraction–stripping processes in a cascade of mixing–sedimenting extractors is carried out: schemes in which the extractant phase passes through all extraction stages, then through all stripping stages and process schemes where the flow of this phase circulates between the extraction and stripping stages in separate groups of cascade extractors (schemes of supported free liquid membranes). It is established that the schemes of supported free liquid membranes provide a higher degree of extraction and better separation quality.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"59 6","pages":"1575 - 1583"},"PeriodicalIF":0.4,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148553039","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}
引用次数: 0
Dehydrogenation of Ethane in a Membrane Reactor with Pd–Ru Palladium Alloy Foil and Alumina–Chromia Catalyst at High Temperatures 钯钌钯合金箔和铝铬催化剂在膜反应器中高温脱氢乙烷
IF 0.4 4区 工程技术
Theoretical Foundations of Chemical Engineering Pub Date : 2026-07-23 DOI: 10.1134/S0040579526600932
V. N. Babak, L. P. Didenko, L. A. Sementsova, Yu. P. Kvurt, S. E. Zakiev
{"title":"Dehydrogenation of Ethane in a Membrane Reactor with Pd–Ru Palladium Alloy Foil and Alumina–Chromia Catalyst at High Temperatures","authors":"V. N. Babak,&nbsp;L. P. Didenko,&nbsp;L. A. Sementsova,&nbsp;Yu. P. Kvurt,&nbsp;S. E. Zakiev","doi":"10.1134/S0040579526600932","DOIUrl":"10.1134/S0040579526600932","url":null,"abstract":"<p>Ethane dehydrogenation is one of the most important processes for ethylene production. The main features of this process have been studied in a membrane reactor with an industrial alumina–chromia catalyst and a foil made of Pd–6% Ru palladium alloy. The working part of the reactor consists of two cylindrical chambers separated by a membrane partition. The upper chamber is evacuated, and atmospheric pressure is maintained in the lower chamber. It is known that hydrogen addition at the inlet hinders the formation of carbon deposits on the catalyst; therefore, this work investigates the influence of such additives on the process. With a uniform supply of the feed (ethane and hydrogen) along the outer perimeter of the lower chamber, the problem is reduced to finding the fluxes of ethane, ethylene, hydrogen, and methane from the solution of a system of nonlinear ordinary differential equations. The temperature range considered is 600 K <span>( &lt; T &lt; )</span> 1000 K at small values of the hydrogen-to-ethane flux ratio at the inlet. Conditions under which the hydrogen yield and ethane conversion reach 100% at the maximum H<sub>2</sub> flux through the membrane are found. The calculations are compared with experimental data.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"59 6","pages":"1650 - 1663"},"PeriodicalIF":0.4,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148553163","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}
引用次数: 0
Eutectic Solvent Based on Polyethyleneglycol Methyl Ether 350 as an Alternative Extractant in the Processes of Deep Desulfurization and Denitrification of Hydrocarbon Fractions 以聚乙二醇甲基醚350为萃取剂的共晶溶剂在烃类馏分深度脱硫脱硝过程中的替代作用
IF 0.4 4区 工程技术
Theoretical Foundations of Chemical Engineering Pub Date : 2026-07-23 DOI: 10.1134/S0040579526600774
D. V. Lobovich, G. M. Oleshkov, I. V. Zinov’eva, Yu. A. Zakhodyaeva, A. A. Voshkin
{"title":"Eutectic Solvent Based on Polyethyleneglycol Methyl Ether 350 as an Alternative Extractant in the Processes of Deep Desulfurization and Denitrification of Hydrocarbon Fractions","authors":"D. V. Lobovich,&nbsp;G. M. Oleshkov,&nbsp;I. V. Zinov’eva,&nbsp;Yu. A. Zakhodyaeva,&nbsp;A. A. Voshkin","doi":"10.1134/S0040579526600774","DOIUrl":"10.1134/S0040579526600774","url":null,"abstract":"<p>Tightening environmental regulations aimed at minimizing emissions of harmful nitrogen and sulfur oxides require the development of effective methods for the deep purification of petroleum products from heterocyclic compounds. Despite the potential of eutectic solvents as an environmentally friendly alternative to traditional extractants in denitrification and desulfurization processes, their industrial implementation is hampered by technologically unsuitable physicochemical properties and insufficient extraction efficiency for a number of components. The paper proposes a new eutectic solvent based on polyethylene glycol methyl ether with a molecular weight of 350 (PEG ME-350) and tetrabutylammonium bromide (TBAB). The eutectic solvent exhibits physicochemical properties favorable for extraction processes: low viscosity of 68.1 mPa s and high density of 1.08 g/cm<sup>3</sup> under ambient conditions. Compared with industrial N-methylpyrrolidone, the use of the new eutectic solvent leads to a statistically significant increase in the yield of heterocyclic compounds: the increase is 78.8, 6.4, 8.7, and 13.9% for thiophene, indole, quinoline, and pyridine, respectively. The extraction process is characterized by a high speed of achieving thermodynamic equilibrium (within 1 min). The optimal volume ratio of the extractant/raw material phases is 1 : 1. Extraction efficiency is independent of temperature within the studied range, allowing the process to be carried out effectively at 25°C. The distribution coefficients in the system are consistent for all organic compounds across a wide range of initial concentrations, which is particularly important for scaling up the chemical engineering processes.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"59 6","pages":"1450 - 1458"},"PeriodicalIF":0.4,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148552898","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}
引用次数: 0
Prototype of a Digital Twin for the Decomposition Process of Isopropylbenzene Hydroperoxide in the Production of Phenol and Acetone 过氧化氢异丙苯在苯酚和丙酮生产中的分解过程的数字孪生原型
IF 0.4 4区 工程技术
Theoretical Foundations of Chemical Engineering Pub Date : 2026-07-23 DOI: 10.1134/S0040579526600762
T. R. Prosochkina, K. G. Kichatov
{"title":"Prototype of a Digital Twin for the Decomposition Process of Isopropylbenzene Hydroperoxide in the Production of Phenol and Acetone","authors":"T. R. Prosochkina,&nbsp;K. G. Kichatov","doi":"10.1134/S0040579526600762","DOIUrl":"10.1134/S0040579526600762","url":null,"abstract":"<p>A prototype of a digital twin has been developed for the installation of cumene hydroperoxide decomposition in the phenol and acetone production process. The digital twin is based on a specially created neural network model, which enables real-time calculation of the yields of main products and by-products, energy resources, and the resulting conditional profit with a relative error not exceeding 0.73%. The database of process parameters was formed using simulation modeling of the installation operation, followed by verification of the model’s adequacy by comparing the calculated results with actual values of technological parameters. As a prototype of a digital twin for real-time optimization of process parameters taking place in the cumene hydroperoxide decomposition setup, it is proposed to use the ESP-8266 microcontroller, equipped with both built-in and custom software developed in the C programming language.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"59 6","pages":"1484 - 1492"},"PeriodicalIF":0.4,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148552865","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}
引用次数: 0
Optimization of a Plasma Reactor for Efficient Generation of Reactive Oxygen Species in Plant Irrigation Water Treatment 植物灌溉水处理中高效生成活性氧等离子体反应器的优化
IF 0.4 4区 工程技术
Theoretical Foundations of Chemical Engineering Pub Date : 2026-07-23 DOI: 10.1134/S0040579526600907
E. S. Mikhalev, E. V. Morachevskaya, A. V. Kamler, V. M. Bayazitov, R. V. Nikonov
{"title":"Optimization of a Plasma Reactor for Efficient Generation of Reactive Oxygen Species in Plant Irrigation Water Treatment","authors":"E. S. Mikhalev,&nbsp;E. V. Morachevskaya,&nbsp;A. V. Kamler,&nbsp;V. M. Bayazitov,&nbsp;R. V. Nikonov","doi":"10.1134/S0040579526600907","DOIUrl":"10.1134/S0040579526600907","url":null,"abstract":"<p>Currently, there is growing interest in studying possible applications of plasma discharge water treatment technology in various industrial fields. The equipment considered in this work is based on the combined effect of plasma discharge and cavitation on water in a flow mode. The optimal design of the installation is determined. Many authors note that one of the promising applications of this technology is the possibility of regulating the growth and development of plants of various crops. The physicochemical processes occurring in water during plasma discharge treatment have been previously studied, and the formation of reactive oxygen species (ROS), including hydrogen peroxide, in the treated water has been noted. ROS play an active role in the regulation of plant growth and development. Adjusting the power of electrical pulses supplied to the reactor allows for control of hydrogen peroxide generation. The aim of the work is to determine the most effective water treatment regime for regulating the growth of lettuce of the Tuscan variety of the genus Lactuca and family Asteraceae (<i>Lactuca sativa</i> L.). When watering lettuce with water treated in the most efficient mode, the dry mass of the lettuce increases more than twofold and the ascorbic acid content by 40%.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"59 6","pages":"1736 - 1741"},"PeriodicalIF":0.4,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148553164","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}
引用次数: 0
Separation of Platinum Metals by Sorption on Chemically Modified Silica 化学改性二氧化硅吸附分离铂金属
IF 0.4 4区 工程技术
Theoretical Foundations of Chemical Engineering Pub Date : 2026-07-23 DOI: 10.1134/S0040579526601032
T. M. Buslaeva, E. V. Volchkova, E. V. Kopylova
{"title":"Separation of Platinum Metals by Sorption on Chemically Modified Silica","authors":"T. M. Buslaeva,&nbsp;E. V. Volchkova,&nbsp;E. V. Kopylova","doi":"10.1134/S0040579526601032","DOIUrl":"10.1134/S0040579526601032","url":null,"abstract":"<p>The article reflects the latest achievements of the school of platinum metals, founded more than half a century ago at the K.A. Bolshakov Department of Chemistry and Technology of Rare Elements. The paper examines the physicochemical principles of the process of separating platinum group metals with similar properties by sorption on mesoporous silicas with grafted nitrogen- and sulfur-containing organic molecules under dynamic conditions. Optimal conditions for the selective extraction of Pd(II), Pt(IV), and Rh(III) ions during sorption/desorption from model solutions of complex composition and their separation from accompanying ions of non-ferrous and noble metals have been identified. A scheme for processing process solutions has been proposed and tested on a laboratory scale, ensuring the production of eluates of the specified metals with a content of the target component at the level of 99%.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"59 6","pages":"1671 - 1682"},"PeriodicalIF":0.4,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148552982","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}
引用次数: 0
Simulation of Moisture Absorption from Natural Gas using Triethylene Glycol in a TEG Absorber Tower with ANSYS Fluent 利用ANSYS Fluent模拟TEG吸收塔内三甘醇对天然气吸湿的影响
IF 0.4 4区 工程技术
Theoretical Foundations of Chemical Engineering Pub Date : 2026-07-23 DOI: 10.1134/S0040579525601888
Afshar Alihosseini
{"title":"Simulation of Moisture Absorption from Natural Gas using Triethylene Glycol in a TEG Absorber Tower with ANSYS Fluent","authors":"Afshar Alihosseini","doi":"10.1134/S0040579525601888","DOIUrl":"10.1134/S0040579525601888","url":null,"abstract":"<p>Natural gas contains several impurities such as water vapor, hydrogen sulfide, carbon dioxide, helium, nitrogen, and other components. The presence of moisture in natural gas can lead to serious operational issues, including corrosion of equipment, reduced heating value, hydrate formation in transmission lines, and other process hazards. This study investigates the dehydration of natural gas using a triethylene glycol (TEG) absorber tower through mathematical modeling framework based on mass and energy conservation equations. The model predicts the predicts the distribution of water vapor concentration, gas temperature, and TEG liquid throughout the absorber tower. The research focuses on gas-liquid counterflow absorption in TEG dehydration towers. A porous-medium formulation is employed to represent the packing structure, while a Eulerian–Eulerian multiphase model is utilized to simulate the internal flow field. The flow field incorporates the effects of gas-liquid phase dispersion force, gas-liquid phase diffusion coefficient, and interphase mass transfer. Validation against experimental data from the literature at various temperatures and pressures demonstrates good agreement, with a maximum average deviation of 7.65% in the predicted gas-phase water content. The governing equations were simulated using ANSYS Fluent software to model a gas injection cycle with TEG. The simulation results predictions the saturation profile distribution and the percentage of moisture removal from the gas under different gas inlet velocity conditions at the tower. The developed model effectively predicts both gas temperature and water concentration throughout the absorber tower during the dehydration process. The novelty of this work lies in the development of a transient dynamic simulation framework that captures the time-dependent behavior of gas moisture content, gas temperature, and TEG liquid distribution. The findings offer valuable insights for the design, optimization, and dynamic operation of natural gas dehydration systems.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"59 6","pages":"1635 - 1649"},"PeriodicalIF":0.4,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148553042","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}
引用次数: 0
On the Possibility of Separating Cu(II) and Fe(III) Using Hydrophobic Eutectic Solvents Based on Triisobutylphosphine Sulfide 基于三异丁基膦硫化物的疏水共晶溶剂分离Cu(II)和Fe(III)的可能性
IF 0.4 4区 工程技术
Theoretical Foundations of Chemical Engineering Pub Date : 2026-07-23 DOI: 10.1134/S0040579526600749
I. V. Zinov’eva, V. M. Nekrasov, Yu. A. Zakhodyaeva, A. A. Voshkin
{"title":"On the Possibility of Separating Cu(II) and Fe(III) Using Hydrophobic Eutectic Solvents Based on Triisobutylphosphine Sulfide","authors":"I. V. Zinov’eva,&nbsp;V. M. Nekrasov,&nbsp;Yu. A. Zakhodyaeva,&nbsp;A. A. Voshkin","doi":"10.1134/S0040579526600749","DOIUrl":"10.1134/S0040579526600749","url":null,"abstract":"<p>The work is devoted to the study of the possibility of extraction separation of copper(II) and iron(III) ions from hydrochloric acid solutions using hydrophobic eutectic solvents as extractants. For the first time, new eutectic solvents triisobutylphosphine sulfide/octanol and triisobutylphosphine sulfide/octanoic acid are proposed and characterized. The eutectic solvents have low viscosity (&lt;8 mPa s), which makes them technologically suitable extractants. A comparative analysis of the efficiency of Cu(II) and Fe(III) extraction with eutectic solvents is carried out, where menthol, octanol, and octanoic acid are used as hydrogen bond donors. Of greatest interest is the eutectic solvent based on octanoic acid, which is capable of selectively extracting metal ions in a wide range of aqueous phase acidity. In the absence of hydrochloric acid in the initial solution, β<sub>Fe/Cu</sub> amounts to 1432. The regularities of metal ion extraction are established by varying the process conditions: acidity of the aqueous phase, volumetric ratio of the phases, and concentration of the salting-out agent. An assessment is made of the possibility of purifying eutectic solvents from metal ions using different stripping agents. The potential of using the proposed extraction systems for solving the problem of selective extraction of metal ions from process solutions is demonstrated.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"59 6","pages":"1523 - 1533"},"PeriodicalIF":0.4,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148552867","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}
引用次数: 0
Using a Cellular Automation Approach to Create Digital Twins of Hierarchical Porous Structures 使用细胞自动化方法创建分层多孔结构的数字孪生
IF 0.4 4区 工程技术
Theoretical Foundations of Chemical Engineering Pub Date : 2026-07-23 DOI: 10.1134/S0040579526600981
I. V. Lebedev, V. I. Gashenko, O. V. Fedotova, A. A. Abramov, P. Yu. Tsygankov, N. V. Menshutina
{"title":"Using a Cellular Automation Approach to Create Digital Twins of Hierarchical Porous Structures","authors":"I. V. Lebedev,&nbsp;V. I. Gashenko,&nbsp;O. V. Fedotova,&nbsp;A. A. Abramov,&nbsp;P. Yu. Tsygankov,&nbsp;N. V. Menshutina","doi":"10.1134/S0040579526600981","DOIUrl":"10.1134/S0040579526600981","url":null,"abstract":"<p>The article proposes a multiscale model based on a cellular automata approach for creating digital twins of porous hierarchical structures of sodium alginate-based aerogels. The proposed model uses a cellular automata approach to generate structures at both the meso- and macroscale levels and then combine them into a single digital multiscale structure that contains both meso- and macropores. Experimental studies of aerogel samples based on sodium alginate are carried out. Computational experiments are carried out to generate digital structures corresponding to the obtained experimental samples. A comparison of the structural characteristics of the digital and experimental samples is carried out, based on which conclusions are drawn about the correct operation of the model. The resulting digital multiscale structures can be used in the future to predict the properties of hierarchical structures, which will allow for partial replacement of natural experiments with computational ones and, consequently, reduce costs in developing new materials with specified properties.</p>","PeriodicalId":798,"journal":{"name":"Theoretical Foundations of Chemical Engineering","volume":"59 6","pages":"1717 - 1726"},"PeriodicalIF":0.4,"publicationDate":"2026-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148552870","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}
引用次数: 0
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