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<article article-type="research-article" dtd-version="1.3" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xml:lang="en"><front><journal-meta><journal-id journal-id-type="publisher-id">chemicallytech</journal-id><journal-title-group><journal-title xml:lang="en">Fine Chemical Technologies</journal-title><trans-title-group xml:lang="ru"><trans-title>Тонкие химические технологии</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">2410-6593</issn><issn pub-type="epub">2686-7575</issn><publisher><publisher-name>MIREA – Russian Technological University (RTU MIREA).</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.32362/2410-6593-2025-20-1-75-88</article-id><article-id custom-type="edn" pub-id-type="custom">WUFZOJ</article-id><article-id custom-type="elpub" pub-id-type="custom">chemicallytech-2221</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="en"><subject>MATHEMATICAL METHODS AND INFORMATION SYSTEMS IN CHEMICAL TECHNOLOGY</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>МАТЕМАТИЧЕСКИЕ МЕТОДЫ И ИНФОРМАЦИОННЫЕ СИСТЕМЫ В ХИМИЧЕСКОЙ ТЕХНОЛОГИИ</subject></subj-group></article-categories><title-group><article-title>Modeling of membrane separation  of liquid mixture in Aspen HYSYS</article-title><trans-title-group xml:lang="ru"><trans-title>Моделирование процесса  мембранного разделения жидкой смеси  в среде Aspen HYSYS</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0002-0674-6773</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Малыгин</surname><given-names>А. В.</given-names></name><name name-style="western" xml:lang="en"><surname>Malygin</surname><given-names>A. V.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Малыгин Александр Владимирович, к.т.н., и.о. заведующего кафедрой «Системотехника»</p><p>Scopus Author ID 57189716825, ResearcherID J-8948-2017</p><p>420015, Казань, ул. Карла Маркса, д. 68</p></bio><bio xml:lang="en"><p>Alexander V. Malygin, Cand. Sci. (Eng.), Acting Head of the Department of Systems Engineering</p><p>Scopus Author ID 57189716825, ResearcherID J-8948-2017</p><p>68, Karl Marx ul., Kazan, 420015</p></bio><email xlink:type="simple">mav@kstu.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0003-0257-0739</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Емельянов</surname><given-names>И. И.</given-names></name><name name-style="western" xml:lang="en"><surname>Emel’yanov</surname><given-names>I. I.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Емельянов Илья Игоревич, к.т.н., доцент, кафедра «Системотехника»</p><p>Scopus Author ID 56609966600, ResearcherID AAH-7924-2019</p><p>420015, Казань, ул. Карла Маркса, д. 68</p></bio><bio xml:lang="en"><p>Ilya I. Emel’yanov, Cand. Sci. (Eng.), Associate Professor, Department of Systems Engineering</p><p>Scopus Author ID 56609966600, ResearcherID AAH-7924-2019</p><p>68, Karl Marx ul., Kazan, 420015</p></bio><email xlink:type="simple">EmelyanovII@corp.knrtu.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0009-0004-0439-6185</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Семин</surname><given-names>Р. В.</given-names></name><name name-style="western" xml:lang="en"><surname>Semin</surname><given-names>R. V.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Семин Роман Вадимович, магистрант</p><p>420015, Казань, ул. Карла Маркса, д. 68</p></bio><bio xml:lang="en"><p>Roman V. Semin, Master Student</p><p>68, Karl Marx ul., Kazan, 420015</p></bio><email xlink:type="simple">prodigy19913@mail.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0002-2956-3558</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Фазлыев</surname><given-names>А. Р.</given-names></name><name name-style="western" xml:lang="en"><surname>Fazlyev</surname><given-names>A. R.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Фазлыев Азат Равилевич, к.т.н., доцент, кафедра «Процессы и аппараты химической технологии»</p><p>Scopus Author ID 56413092300, ResearcherID F-5385-2016</p><p>420015, Казань, ул. Карла Маркса, д. 68</p></bio><bio xml:lang="en"><p>Azat R. Fazlyev, Cand. Sci. (Eng.), Associate Professor, Department of Processes and Apparatuses of Chemical Technology</p><p>Scopus Author ID 56413092300, ResearcherID F-5385-2016</p><p>68, Karl Marx ul., Kazan, 420015</p></bio><email xlink:type="simple">FazlyevAR@corp.knrtu.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0002-2314-8935</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Зиятдинов</surname><given-names>Н. Н.</given-names></name><name name-style="western" xml:lang="en"><surname>Ziyatdinov</surname><given-names>N. N.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Зиятдинов Надир Низамович, д.т.н., профессор, кафедра «Системотехника»</p><p>Scopus Author ID 8157424700, ResearcherID AAH-7789-2019</p><p>420015, Казань, ул. Карла Маркса, д. 68</p></bio><bio xml:lang="en"><p>Nadir N. Ziyatdinov, Dr. Sci. (Eng.), Professor, Department of Systems Engineering</p><p>Scopus Author ID 8157424700, ResearcherID AAH-7789-2019</p><p>68, Karl Marx ul., Kazan, 420015</p></bio><email xlink:type="simple">nnziat@yandex.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0002-7833-8330</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Клинов</surname><given-names>А. В.</given-names></name><name name-style="western" xml:lang="en"><surname>Klinov</surname><given-names>А. V.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Клинов Александр Вячеславович, д.т.н., заведующий кафедрой «Процессы и аппараты химической технологии»</p><p>Scopus Author ID 36907475500, ResearcherID K-8270-2017</p><p>420015, Казань, ул. Карла Маркса, д. 68</p></bio><bio xml:lang="en"><p>Alexander V. Klinov, Dr. Sci. (Eng.), Professor, Head of the Department of Processes and Apparatuses of Chemical Technology</p><p>Scopus Author ID 36907475500, ResearсherID K-8270-2017</p><p>68, Karl Marx ul., Kazan, 420015</p></bio><email xlink:type="simple">alklin@kstu.ru</email><xref ref-type="aff" rid="aff-1"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru"><institution>Казанский национальный исследовательский технологический университет</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Kazan National Research Technological University</institution><country>Russian Federation</country></aff></aff-alternatives><pub-date pub-type="collection"><year>2025</year></pub-date><pub-date pub-type="epub"><day>05</day><month>03</month><year>2025</year></pub-date><volume>20</volume><issue>1</issue><fpage>75</fpage><lpage>88</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Malygin A.V., Emel’yanov I.I., Semin R.V., Fazlyev A.R., Ziyatdinov N.N., Klinov А.V., 2025</copyright-statement><copyright-year>2025</copyright-year><copyright-holder xml:lang="ru">Малыгин А.В., Емельянов И.И., Семин Р.В., Фазлыев А.Р., Зиятдинов Н.Н., Клинов А.В.</copyright-holder><copyright-holder xml:lang="en">Malygin A.V., Emel’yanov I.I., Semin R.V., Fazlyev A.R., Ziyatdinov N.N., Klinov А.V.</copyright-holder><license xml:lang="ru" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>Данная работа распространяется под лицензией Creative Commons Attribution 4.0.</license-p></license><license xml:lang="en" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>This work is licensed under a Creative Commons Attribution 4.0 License.</license-p></license></permissions><self-uri xlink:href="https://www.finechem-mirea.ru/jour/article/view/2221">https://www.finechem-mirea.ru/jour/article/view/2221</self-uri><abstract><sec><title>Objectives</title><p>Objectives. To develop and subsequently verify the calculation block of the mass transfer process in the pervaporation membrane module based on a HybSi® ceramic membrane using experimental data as a basis for the verification process.</p></sec><sec><title>Methods</title><p>Methods. The task was implemented using a mathematical simulation within the Aspen HYSYS application package, which is designed for modeling chemical engineering processes. The differential equations of the mathematical model were represented as a system of difference equations, which were then solved numerically with an adaptive area step. The membrane pervaporation module of area S during its modeling is divided into n intervals, based on ensuring within the ith interval the condition that the temperature change ΔТ is less than 1°C. A model was constructed to simulate the performance of the membrane module under isothermal and adiabatic operating conditions.</p></sec><sec><title>Results</title><p>Results. The mathematical model of the pervaporation process employed in the developed computational membrane pervaporation module considers variations in the concentration and temperature of the feedstock flux along the surface of the HybSi® membrane. The performance of the software module was evaluated by comparing the calculated results with the available experimental data for the dehydration of ethanol and isopropanol. The results demonstrated a high degree of agreement for three isotherms (60, 70, and 80°C) and two variations of pressure on the permeate side (5 and 20 mm Hg). Modeling of the operation of the membrane module with the area of 1 m2 in adiabatic mode showed that the processes of alcohol dehydration on HybSi® membranes are accompanied by significant thermal effects associated with heat consumption to provide evaporation through the membrane due to large transmembrane fluxes.</p></sec><sec><title>Conclusions</title><p>Conclusions. The comparative analysis of the results of modeling the HybSi® membrane module in isothermal and adiabatic modes of operation demonstrated that the calculation of the membrane module without consideration of thermal effects results in significant errors. These include an overestimation of the permeate flow rate by up to 50% and an underestimation of the water concentration in the retentate by up to 1.3–1.8 times. It can be reasonably deduced that the omission of thermal effects in design calculations will result in a considerable underestimation of the requisite membrane module surface area.</p></sec></abstract><trans-abstract xml:lang="ru"><sec><title>Цели</title><p>Цели. Разработка и последующая верификация на основе экспериментальных данных расчетного блока процесса массопереноса в первапорационном мембранном модуле на основе керамической мембраны HybSi®.</p></sec><sec><title>Методы</title><p>Методы. Задача решалась при помощи математического моделирования в прикладном пакете Aspen HYSYS, предназначеном для моделирования химико-технологических процессов. Дифференциальные уравнения математической модели были представлены в виде системы разностных уравнений, которая решалась численным способом с адаптивным шагом по площади. Мембранный первапорационный модуль площадью S в ходе его моделирования разбивается на n интервалов, исходя из обеспечения внутри i-го интервала условия, чтобы изменение температуры ΔТ было меньше 1°C. Работоспособность программного модуля проверялась на основе сравнения результатов расчета с имеющимися экспериментальными данными по обезвоживанию этанола и изопропанола. Моделирование работы разработанного мембранного модуля проводилось в изотермических и адиабатических режимах.</p></sec><sec><title>Результаты</title><p>Результаты. Используемая в разработанном расчетном первапорационном мембранном модуле математическая модель процесса первапорации учитывает изменение концентрации и температуры потока сырья вдоль поверхности мембраны HybSi®. Показано хорошее согласование для трех изотерм (60, 70 и 80°С) и двух вариантов давления со стороны пермеата (5 и 20 мм рт. ст.). Моделирование мембранного модуля площадью 1 м2 в адиабатическом режиме работы показало, что процессы обезвоживания спиртов на мембранах HybSi® сопровождаются значительными тепловыми эффектами, связанными с расходом тепла на испарение через мембрану ввиду больших трансмембранных потоков для данной мембраны.</p></sec><sec><title>Выводы</title><p>Выводы. Сравнительный анализ результатов моделирования мембранного модуля HybSi® в изотермическом и адиабатическом режимах работы показал, что расчет мембранного модуля без учета тепловых эффектов приводит к существенным ошибкам: в определении расхода пермеата — до 50%, в определении концентрации воды в ретанте до 1.3–1.8 раз. Поэтому выполнение проектных расчетов без учета тепловых эффектов будет приводить к существенному занижению требуемой поверхности мембранного модуля.</p></sec></trans-abstract><kwd-group xml:lang="ru"><kwd>моделирование</kwd><kwd>первапорация</kwd><kwd>мембрана HybSi®</kwd><kwd>Aspen HYSYS</kwd><kwd>обезвоживание спирта</kwd></kwd-group><kwd-group xml:lang="en"><kwd>modeling</kwd><kwd>pervaporation</kwd><kwd>HybSi® membrane</kwd><kwd>Aspen HYSYS</kwd><kwd>alcohol dehydration</kwd></kwd-group><funding-group><funding-statement xml:lang="ru">Работа выполнена при финансовой поддержке Министерства науки и высшего образования Российской Федерации, грант № 075-01261-22-00 «Энерго ресурсосберегающие процессы разделения жидких смесей для выделения промышленных растворителей».</funding-statement><funding-statement xml:lang="en">The work was financially supported by the Ministry of Science and Higher Education of the Russian Federation, grant No. 075-01261-22-00 “Energy-saving processes of separation of liquid mixtures for the separation of industrial solvents.”</funding-statement></funding-group></article-meta></front><back><ref-list><title>References</title><ref id="cit1"><label>1</label><citation-alternatives><mixed-citation xml:lang="ru">Тимошенко А.В., Анохина Е.А., Рудаков Д.Г., Тимофеев В.С., Тациевская Г.И., Матюшенкова Ю.В. 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