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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">10.32362/2410-6593-2018-13-5-5-13</article-id><article-id custom-type="elpub" pub-id-type="custom">chemicallytech-164</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>THEORETICAL BASIS OF CHEMICAL TECHNOLOGY</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>ТЕОРЕТИЧЕСКИЕ ОСНОВЫ ХИМИЧЕСКОЙ ТЕХНОЛОГИИ</subject></subj-group></article-categories><title-group><article-title>DEVELOPMENT OF REACTION-RECTIFICATION PROCESS OF OBTAINING MESITYL OXIDE. I. SIMULATION OF KINETICS AND PHASE EQUILIBRIUM IN THE REACTION SYSTEM</article-title><trans-title-group xml:lang="ru"><trans-title>РАЗРАБОТКА РЕАКЦИОННО-РЕКТИФИКАЦИОННОГО ПРОЦЕССА ПОЛУЧЕНИЯ ОКИСИ МЕЗИТИЛА. I. МОДЕЛИРОВАНИЕ КИНЕТИКИ И ФАЗОВЫХ РАВНОВЕСИЙ В РЕАКЦИОННОЙ СИСТЕМЕ</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Яхьяев</surname><given-names>М. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Yakhyaev</surname><given-names>M. A.</given-names></name></name-alternatives><bio xml:lang="ru"><p>аспирант кафедры химии и технологии основного органического синтеза</p><p>119571, Россия, Москва, пр-т Вернадского, д. 86</p></bio><bio xml:lang="en"><p>Postgraduate Student, the Chair of Chemistry and Technology of Basic Organic Synthesis,</p><p>86, Vernadskogo Pr., Moscow 119571, Russia</p></bio><email xlink:type="simple">yakhyaev2008@mail.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Гутенков</surname><given-names>В. С.</given-names></name><name name-style="western" xml:lang="en"><surname>Gutenkov</surname><given-names>V. S.</given-names></name></name-alternatives><bio xml:lang="ru"><p>магистрант кафедры химии и технологии основного органического синтеза</p><p>119571, Россия, Москва, пр-т Вернадского, д. 86</p></bio><bio xml:lang="en"><p>Master Student, Chair of Chemistry and Technology of Basic Organic Synthesis</p><p>86, Vernadskogo Pr., Moscow 119571, Russia</p></bio><email xlink:type="simple">noemail@neicon.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Писаренко</surname><given-names>Ю. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Pisarenko</surname><given-names>Yu. A.</given-names></name></name-alternatives><bio xml:lang="ru"><p>доктор технических наук, профессор кафедры химии и технологии основного органического синтеза</p><p>119571, Россия, Москва, пр-т Вернадского, д. 86</p></bio><bio xml:lang="en"><p>D.Sc. (Engineering), Professor of Chair of Chemistry and Technology of Basic Organic Synthesis</p><p>86, Vernadskogo Pr., Moscow 119571, Russia</p></bio><email xlink:type="simple">noemail@neicon.ru</email><xref ref-type="aff" rid="aff-1"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru"><institution>МИРЭА - Российский технологический университет (Институт тонких химических технологий имени М.В. Ломоносова)</institution><country>Россия</country></aff><aff xml:lang="en"><institution>MIREA - Russian Technological University (M.V. Lomonosov Institute of Fine Chemical Technologies)</institution><country>Russian Federation</country></aff></aff-alternatives><pub-date pub-type="collection"><year>2018</year></pub-date><pub-date pub-type="epub"><day>28</day><month>10</month><year>2018</year></pub-date><volume>13</volume><issue>5</issue><fpage>5</fpage><lpage>13</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Yakhyaev M.A., Gutenkov V.S., Pisarenko Y.A., 2018</copyright-statement><copyright-year>2018</copyright-year><copyright-holder xml:lang="ru">Яхьяев М.А., Гутенков В.С., Писаренко Ю.А.</copyright-holder><copyright-holder xml:lang="en">Yakhyaev M.A., Gutenkov V.S., Pisarenko Y.A.</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/164">https://www.finechem-mirea.ru/jour/article/view/164</self-uri><abstract><p>Mesityl oxide is an important product of organic synthesis, which is used in the manufacture of pharmaceuticals and as a solvent. The demand for mesityl oxide is growing, which determines the need for further improvement of its production. The disadvantages of the traditional methods of obtaining mesityl oxide are low values of reagent conversion and selectivity. To eliminate them, it is proposed to obtain mesityl oxide in a combined reaction-rectification process. The combination of chemical transformation and separation of the resulting reaction mixture by means of rectification in one apparatus allows for a continuous withdrawal of the formed products from the reaction zone, which increases the rate of the target reaction, conversion and selectivity. In accordance with the modern strategy for the development of chemical-technological processes, the collection and processing of physical and chemical information on the properties of the components and mixtures contained in the reaction system was performed. Based on the experimental data, the parameters of the phase equilibrium model are determined, and its adequacy is estimated. The phase equilibrium model was used to construct a distillation diagram, to verify its consistency, and to conduct computational studies of the reaction-rectification process. The thermochemical parameters of the target reactions are calculated, the equilibrium constants are determined, and their temperature dependence is established. On the basis of the analysis of the literature data, a kinetic model of the process is proposed, and the conditions favorable for the course of the desired chemical transformation are determined with the use of this model. The obtained data are necessary for carrying out the analysis of the statics, constructing the basic technological scheme and calculating its static parameters.</p></abstract><trans-abstract xml:lang="ru"><p>Окись мезитила является важным продуктом органического синтеза, который находит применение в производстве фармацевтических препаратов и в качестве растворителя. Спрос на окись мезитила растет, что определяет необходимость дальнейшего усовершенствования ее производства. Недостатком традиционных способов получения окиси мезитила являются низкие значения конверсии реагентов и селективности. Для их устранения предложено получать окись мезитила в совмещенном реакционно-ректификационном процессе. Объединение в одном аппарате химического превращения и разделения образовавшейся реакционной смеси посредством ректификации позволяет осуществлять непрерывный отвод образовавшихся продуктов из зоны реакции, что увеличивает скорость целевой реакции, конверсию и селективность. В соответствии с современной стратегией разработки химико-технологических процессов выполнен сбор и обработка физико-химической информации о свойствах компонентов и смесей, содержащихся в реакционной системе. На основе экспериментальных данных определены параметры модели фазового равновесия и оценена ее адекватность. Модель фазового равновесия использована для построения диаграммы дистилляции, проверки ее непротиворечивости и проведения расчетных исследований реакционно-ректификационного процесса. Выполнен расчет термохимических параметров целевых реакций, определены константы равновесия, установлена их температурная зависимость. На основе анализа литературных данных предложена кинетическая модель процесса и с помощью нее определены условия, благоприятные для протекания целевого химического превращения. Полученные данные необходимы для проведения анализа статики, построения принципиальной технологической схемы и расчета ее статических параметров.</p></trans-abstract><kwd-group xml:lang="ru"><kwd>реакционно-ректификационные процессы</kwd><kwd>окись мезитила</kwd><kwd>модель фазового равновесия</kwd><kwd>кинетическая модель</kwd><kwd>анализ статики</kwd><kwd>принципиальная технологическая схема</kwd></kwd-group><kwd-group xml:lang="en"><kwd>reaction-rectification processes</kwd><kwd>mesityl oxide</kwd><kwd>phase equilibrium model</kwd><kwd>kinetic model</kwd><kwd>statics analysis</kwd><kwd>principle technological scheme</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">Saayman N., Lund G.J., Kindermans S. Process for production of MIBK using CD technology: pat. 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