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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">10.32362/2410-6593-2023-18-5-482-497</article-id><article-id custom-type="elpub" pub-id-type="custom">chemicallytech-2001</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>Principles of creating a digital twin prototype for the process of alkylation of benzene with propylene based on a neural network</article-title><trans-title-group xml:lang="ru"><trans-title>Принципы создания прототипа цифрового двойника процесса алкилирования бензола пропиленом на основе нейронной сети</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0002-5614-3743</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Кичатов</surname><given-names>К. Г.</given-names></name><name name-style="western" xml:lang="en"><surname>Kichatov</surname><given-names>K. G.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Кичатов Константин Геннадьевич - кандидат химических наук, доцент, кафедра нефтехимии и химической технологии, Scopus Author ID 54917537800.</p><p>450064, Республика Башкортостан, Уфа, ул. Космонавтов, д. 1</p></bio><bio xml:lang="en"><p>Konstantin G. Kichatov - Cand. Sci. (Chem.), Associate Professor, Department of Petrochemistry and Chemical Technology. Scopus Author ID 54917537800.</p><p>1, Kosmonavtov ul., Ufa, 450064</p></bio><email xlink:type="simple">kichatov_k@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/0000-0003-0859-3595</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Просочкина</surname><given-names>Т. Р.</given-names></name><name name-style="western" xml:lang="en"><surname>Prosochkina</surname><given-names>T. R.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Просочкина Татьяна Рудольфовна - доктор химических наук, профессор, заведующий кафедрой нефтехимии и химической технологии. Scopus Author ID 6508101276.</p><p>450064, Республика Башкортостан, Уфа, ул. Космонавтов, д. 1</p></bio><bio xml:lang="en"><p>Tatyana R. Prosochkina - Dr. Sci. (Chem.), Professor, Head of the Department of Petrochemistry and Chemical Technology. Scopus Author ID 6508101276</p><p>1, Kosmonavtov ul., Ufa, 450064</p></bio><email xlink:type="simple">agidel@ufanet.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/0009-0006-8254-1733</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Воробьева</surname><given-names>И. С.</given-names></name><name name-style="western" xml:lang="en"><surname>Vorobyova</surname><given-names>I. S.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Воробьева Ирина Сергеевна - магистрант, кафедра нефтехимии и химической технологии.</p><p>450064, Республика Башкортостан, Уфа, ул. Космонавтов, д. 1</p></bio><bio xml:lang="en"><p>Irina S. Vorobyova - Master Student, Department of Petrochemistry and Chemical Technology.</p><p>1, Kosmonavtov ul., Ufa, 450064</p></bio><email xlink:type="simple">isvorobyeva@mail.ru</email><xref ref-type="aff" rid="aff-1"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru"><institution>Технологический факультет, Уфимский государственный нефтяной технический университет</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Technological Faculty, Ufa State Petroleum Technological University</institution><country>Russian Federation</country></aff></aff-alternatives><pub-date pub-type="collection"><year>2023</year></pub-date><pub-date pub-type="epub"><day>27</day><month>11</month><year>2023</year></pub-date><volume>18</volume><issue>5</issue><fpage>482</fpage><lpage>497</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Kichatov K.G., Prosochkina T.R., Vorobyova I.S., 2023</copyright-statement><copyright-year>2023</copyright-year><copyright-holder xml:lang="ru">Кичатов К.Г., Просочкина Т.Р., Воробьева И.С.</copyright-holder><copyright-holder xml:lang="en">Kichatov K.G., Prosochkina T.R., Vorobyova I.S.</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/2001">https://www.finechem-mirea.ru/jour/article/view/2001</self-uri><abstract><sec><title>Objectives</title><p>Objectives. To identify the principles of creating digital twins of an operating technological unit along the example of the process of liquid-phase alkylation of benzene with propylene, and to establish the sequence of stages of formation of a digital twin, which can be applied to optimize oil and gas chemical production.</p></sec><sec><title>Methods</title><p>Methods. The chemical and technological system consisting of reactor, mixer, heat exchangers, separator, rectification columns, and pump is considered as a complex high-level system. Data was acquired in order to describe the functioning of the isopropylbenzene production unit. The main parameters of the process were calculated by simulation modeling using UniSim® Design software. A neural network model was developed and trained. The influence of various factors of the reaction process of alkylation, separation of reaction products, and evaluation of economic factors providing market interest of the industrial process was also considered. The adequacy of calculations was determined by statistics methods. A microcontroller prototype of the process was created.</p></sec><sec><title>Results</title><p>Results. A predictive neural network model and its creation algorithm for the process of benzene alkylation was developed. This model can be loaded into a microcontroller to allow for real-time determination of the economic efficiency of plant operation and automated optimization depending on the following factors: composition of incoming raw materials; the technological mode of the plant; the temperature mode of the process; and the pressure in the reactor.</p></sec><sec><title>Conclusions</title><p>Conclusions. The model of a complex chemicotechnological system of cumene production, created and calibrated on the basis of long-term industrial data and the results of calculations of the output parameters, enables the parameters of the technological process of alkylation to be calculated (yield of reaction products, energy costs, conditional profit at the output of finished products). During the development of a hardware-software prototype, adapted to the operation of the real plant, the principles and stages of creating a digital twin of the operating systems of chemical technology industries were identified and formulated.</p></sec></abstract><trans-abstract xml:lang="ru"><sec><title>Цели</title><p>Цели. Выявление принципов создания цифровых двойников реально действующей технологической установки на примере процесса жидкофазного алкилирования бензола пропиленом и установление последовательности этапов формирования цифрового двойника, которая может быть применима для оптимизации работы нефтегазохимического производства.</p></sec><sec><title>Методы</title><p>Методы. Рассмотрена в целом химико-технологическая система, состоящая из реактора, смесителя, теплообменников, сепаратора, ректификационных колонн и насоса, как система высокого уровня. Выполнен сбор данных, описывающих функционирование установки получения изопропилбензола алкилированием бензола пропиленом путем расчета основных параметров процесса с помощью имитационного моделирования с применением специализированного программного обеспечения UniSim® Design. Разработана и обучена нейросетевая модель, учитывающая влияние различных факторов реакционного процесса алкилирования, разделения продуктов реакции и оценки экономических факторов, обеспечивающих рыночную привлекательность рассматриваемого промышленного процесса. Определена адекватность результатов расчетов оптимальных параметров процесса методами математической статистики. Создан прототип цифрового двойника процесса, реализованной на микроконтроллере.</p></sec><sec><title>Результаты</title><p>Результаты. Создана прогностическая нейросетевая модель и алгоритм ее построения для процесса алкилирования бензола пропиленом, позволяющая при загрузке ее в микроконтроллер обеспечить в режиме реального времени определение экономической эффективности работы установки и автоматическую оптимизацию работы установки в зависимости от состава поступающего сырья технологического режима системы, температурного режима проведения процесса и давления в реакторе.</p></sec><sec><title>Выводы</title><p>Выводы. Созданная модель сложной химико-технологической системы производства кумола, откалиброванная на основании промышленных данных длительного пробега технологической установки и результатов расчетов выходных параметров процесса при помощи нейронной сети, реализованной на микроконтроллере, позволяет рассчитать параметры технологического процесса алкилирования (выход продуктов реакции, энергетические затраты, условную прибыль при выпуске готовой продукции). В процессе разработки прототипа программно-аппаратного комплекса управления установкой алкилирования бензола пропиленом на основе данных, адаптированных к работе реальной установки, были выявлены и сформулированы принципы и этапы создания цифрового двойника производственных систем отраслей химической технологии.</p></sec></trans-abstract><kwd-group xml:lang="ru"><kwd>цифровой двойник</kwd><kwd>кумол</kwd><kwd>промышленная установка</kwd><kwd>нейронные сети</kwd><kwd>машинное обучение</kwd><kwd>ESP8266</kwd></kwd-group><kwd-group xml:lang="en"><kwd>digital twin</kwd><kwd>cumene</kwd><kwd>industrial plant</kwd><kwd>neural networks</kwd><kwd>machine learning</kwd><kwd>ESP8266</kwd></kwd-group></article-meta></front><back><ref-list><title>References</title><ref id="cit1"><label>1</label><citation-alternatives><mixed-citation xml:lang="ru">Popov N.A. Business process optimization in the digitalization era of production. 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