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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">donstu</journal-id><journal-title-group><journal-title xml:lang="en">Advanced Engineering Research (Rostov-on-Don)</journal-title><trans-title-group xml:lang="ru"><trans-title>Advanced Engineering Research (Rostov-on-Don)</trans-title></trans-title-group></journal-title-group><issn pub-type="epub">2687-1653</issn><publisher><publisher-name>Don State Technical University</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.23947/1992-5980-2018-18-1-69-76</article-id><article-id custom-type="elpub" pub-id-type="custom">donstu-272</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>INFORMATION TECHNOLOGY, COMPUTER SCIENCE AND MANAGEMENT</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>ИНФОРМАТИКА, ВЫЧИСЛИТЕЛЬНАЯ ТЕХНИКА И УПРАВЛЕНИЕ</subject></subj-group></article-categories><title-group><article-title>Numerical analysis of gas flow dynamics of propane pyrolysis</article-title><trans-title-group xml:lang="ru"><trans-title>Численный анализ динамики газового потока пиролиза пропана</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><contrib-id contrib-id-type="orcid">https://orcid.org/0000-0001-9787-0325</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Губайдуллин</surname><given-names>И. М.</given-names></name><name name-style="western" xml:lang="en"><surname>Gubaydullin</surname><given-names>I. M.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Губайдуллин Ирек Марсович, профессор кафедры технологии нефти и газа, доктор физико-математических наук, доцент</p><p>450062, г. Уфа, ул. Космонавтов, д.1</p></bio><bio xml:lang="en"><p>Gubaydullin, Irek M., professor of the Oil and Gas Technology Department, Dr.Sci. (Phys.-Math.), associate professor </p><p>450062, Ufa, ul. Kosmonavtov, 1</p></bio><email xlink:type="simple">IrekMars@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/0000-0002-5469-2992</contrib-id><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Нурисламова</surname><given-names>Л. Ф.</given-names></name><name name-style="western" xml:lang="en"><surname>Nurislamova</surname><given-names>L. F.</given-names></name></name-alternatives><bio xml:lang="ru"><p>Нурисламова Лиана Фануровна, доцент кафедры цифровых технологий и моделирования, кандидат физико-математических наук </p><p>450062, г. Уфа, ул. Космонавтов, д.1</p></bio><bio xml:lang="en"><p>Nurislamova, Liana F., associate professor at the Digital Technologies and Modeling Department, Cand.Sci. (Phys.-Math.) </p><p>450062, Ufa, ul. Kosmonavtov, 1</p></bio><email xlink:type="simple">Nurislamova_LF@mail.ru</email><xref ref-type="aff" rid="aff-2"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru"><institution>Уфимский государственный нефтяной технический университет; &#13;
ФАНО Институт нефтехимии и катализа ФГБНУ УФИЦ РАН</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Ufa State Petroleum Technological University; &#13;
FASO Institute of Petrochemistry and Catalysis, FSBSI of UFRC, RAS</institution><country>Russian Federation</country></aff></aff-alternatives><aff-alternatives id="aff-2"><aff xml:lang="ru"><institution>Уфимский государственный нефтяной технический университет</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Ufa State Petroleum Technological University</institution><country>Russian Federation</country></aff></aff-alternatives><pub-date pub-type="collection"><year>2018</year></pub-date><pub-date pub-type="epub"><day>16</day><month>06</month><year>2018</year></pub-date><volume>18</volume><issue>1</issue><fpage>69</fpage><lpage>76</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Gubaydullin I.M., Nurislamova L.F., 2018</copyright-statement><copyright-year>2018</copyright-year><copyright-holder xml:lang="ru">Губайдуллин И.М., Нурисламова Л.Ф.</copyright-holder><copyright-holder xml:lang="en">Gubaydullin I.M., Nurislamova L.F.</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.vestnik-donstu.ru/jour/article/view/272">https://www.vestnik-donstu.ru/jour/article/view/272</self-uri><abstract><sec><title>Introduction</title><p>Introduction. Homogeneous pyrolysis of propane is studied in a flow reactor with constant external heating. A numerical analysis of the results of simulating the gas flow in the reactor with account of chemical processes is required for a comprehensive study of the process under all kinds of conditions and for the control of the transition from laboratory facilities to the industrial ones. The results of the numerical modeling of the three-dimensional gas flow dynamics of propane pyrolysis in the reactor based on the ANSYS Fluent using a compact kinetic model are presented.</p></sec><sec><title>Materials and Methods</title><p>Materials and Methods. An acceptable size kinetic scheme of the pyrolysis of propane is proposed by the authors. The scheme is obtained using the methods of local and global sensitivity analysis of the model. The mathematical model used in the ANSYS Fluent package is given. The model is the equation of continuity, conservation of momentum, and conservation of energy, supplemented by the continuity equations for each gas component.</p></sec><sec><title>Research Results</title><p>Research Results. The numerical simulation of the threedimensional dynamics of the gas flow of propane pyrolysis using the ANSYS Fluent software package and a compact kinetic model is carried out for the first time. Calculations of the gas flow dynamics of propane pyrolysis are conducted in the laboratory reactor with account of the diffusion processes, chemical reactions and their thermal effects. The numerical calculations results correlate well with the experimental studies on the conversion of propane.</p><p>Discussion and Conclusions. The results of the research and simulation of the propane pyrolysis can form the basis for describing the process in the reactor volume under the influence of the laser radiation.</p></sec></abstract><trans-abstract xml:lang="ru"><sec><title>Введение</title><p>Введение. Исследуется процесс пиролиза пропана в проточном реакторе в режиме подачи энергии через постоянный внешний нагрев. Для комплексного исследования процесса во всевозможных условиях и для обеспечения перехода от лабораторных установок к промышленным необходимо провести численный анализ результатов моделирования течения газа в реакторе с учётом химических процессов. В работе представлены результаты численного моделирования трехмерной динамики газового потока пиролиза пропана в реакторе в программном пакете ANSYS Fluent с использованием компактной кинетической модели.</p></sec><sec><title>Материалы и методы</title><p>Материалы и методы. Авторами предложена новая компактная кинетическая схема пиролиза пропана, которая была получена на основе методов локального и глобального анализа чувствительности модели. Представлена математическая модель, используемая в пакете ANSYS Fluent, которая представляет собой уравнения неразрывности, сохранения импульса, сохранения энергии, дополненные уравнениями неразрывности для каждой компоненты газа.</p></sec><sec><title>Результаты исследования</title><p>Результаты исследования. Впервые проведено численное моделирование трехмерной динамики газового потока пиролиза пропана в реакторе в программном пакете ANSYS Fluent с использованием компактной кинетической модели. Проведены расчеты динамики газового потока пиролиза пропана в лабораторном реакторе с учетом процессов диффузии, химических реакций и их тепловых эффектов. Результаты численных расчетов и экспериментальные исследования по конверсии пропана хорошо согласуются между собой.</p></sec><sec><title>Обсуждение и заключения</title><p>Обсуждение и заключения. Результаты исследования и моделирования пиролиза пропана могут составить основу для описания процесса в объеме реактора под воздействием лазерного излучения.</p></sec></trans-abstract><kwd-group xml:lang="ru"><kwd>пропан</kwd><kwd>пиролиз</kwd><kwd>кинетическая модель пиролиза пропана</kwd><kwd>низкотемпературный пиролиз пропана</kwd></kwd-group><kwd-group xml:lang="en"><kwd>propane</kwd><kwd>pyrolysis</kwd><kwd>propane pyrolysis kinetic model</kwd><kwd>low-temperature propane pyrolysis</kwd></kwd-group><funding-group><funding-statement xml:lang="ru">Российский фонд фундаментальных исследований  (гранты РФФИ № 18-07-00341, 16-29-1511)</funding-statement><funding-statement xml:lang="en">RFFI (projects No. 18-07-00341, 16-29-15116)</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">Snytnikov, V.N. Autocatalytic dehydrogenation of propane / V.N. Snytnikov, T.I. Mishchenko, Vl. N. Snytnikov, I. G. Chernykh // Research on Chemical Intermediates. — 2014. — Vol. 40. — P. 345-356.</mixed-citation><mixed-citation xml:lang="en">Snytnikov, V.N., Mishchenko, T.I., Chernykh, I.G. Autocatalytic dehydrogenation of propane. Research on Chemical Intermediates, 2014, vol. 40, pp. 345−356.</mixed-citation></citation-alternatives></ref><ref id="cit2"><label>2</label><citation-alternatives><mixed-citation xml:lang="ru">Faua, G. Methane pyrolysis: Literature survey and comparisons of available data for use in numerical simulations / G. Faua, N. Gascoina, P. Gillarda, J. Steelant // Journal of Analytical and Applied Pyrolysis. — 2013. — Vol. 104. P. 1-9.</mixed-citation><mixed-citation xml:lang="en">Faua, G., Gascoina, N., Gillarda, P., Steelant, J. Methane pyrolysis: Literature survey and comparisons of available data for use in numerical simulations. Journal of Analytical and Applied Pyrolysis, 2013, vol. 104, pp. 1−9.</mixed-citation></citation-alternatives></ref><ref id="cit3"><label>3</label><citation-alternatives><mixed-citation xml:lang="ru">Bedarev, I. Numerical study of methane pyrolysis in shock waves / I. Bedarev, V. Parmon, A. Fedorov, N. Fedorova, V. Fomin // Combustion, Explosion, and Shock Waves. — 2004. — Vol.40. — P. 580-590.</mixed-citation><mixed-citation xml:lang="en">Bedarev, I., Parmon, V., Fedorov, A., Fedorova, N., Fomin, V. Numerical study of methane pyrolysis in shock waves. Combustion, Explosion, and Shock Waves, 2004 vol.40, pp. 580−590.</mixed-citation></citation-alternatives></ref><ref id="cit4"><label>4</label><citation-alternatives><mixed-citation xml:lang="ru">Khan, U. Pyrolysis of propane under vacuum carburizing conditions: An experimental and modeling study / U. Khan, S. Bajohr, D. Buchholz, R. Reimert, H.D. Minh, K. Norinaga, V.M. Janardhanan, S. Tischer, O. Deutschmann // J. Anal. Appl. Pyrolysis. — 2008. — Vol. 81. — P. 148-156.</mixed-citation><mixed-citation xml:lang="en">Khan, U., Bajohr, S., Buchholz, D., Reimert, R., Minh, H.D., Norinaga, K., Janardhanan, V.M., Tischer, S., Deutschmann, O. Pyrolysis of propane under vacuum carburizing conditions: An experimental and modeling study. J. Anal. Appl. Pyrolysis, 2008, vol. 81, pp. 148−156.</mixed-citation></citation-alternatives></ref><ref id="cit5"><label>5</label><citation-alternatives><mixed-citation xml:lang="ru">Nan, Z. CFD Simulation of Propane Cracking Tube Using Detailed Radical Kinetic Mechanism / Z. Nan, Q. Tong, C. Bingzhen // Chinese Journal of Chemical Engineering. — 2013. — Vol. 21, № 12. — P.1319-1331.</mixed-citation><mixed-citation xml:lang="en">Nan, Z., Tong, Q., Bingzhen, C. CFD Simulation of Propane Cracking Tube Using Detailed Radical Kinetic Mechanism. Chinese Journal of Chemical Engineering, 2013, vol. 21, no. 12, pp. 1319−1331.</mixed-citation></citation-alternatives></ref><ref id="cit6"><label>6</label><citation-alternatives><mixed-citation xml:lang="ru">Ktalkherman, M.G. Investigation of high-temperature pyrolysis of propane in a fast-mixing reactor / I.G. Ktalkherman, I.G. Namyatov, V.A. Emel’kim, B.A. Pozdnyakov // High Temperature. — 2009. — Vol. 47. — P. 707-717.</mixed-citation><mixed-citation xml:lang="en">Ktalkherman, M.G., Namyatov, I.G., Emel’kim, V.A., Pozdnyakov. B.A. Investigation of high-temperature pyrolysis of propane in a fast-mixing reactor. High Temperature, 2009, vol. 47, pp. 707−717.</mixed-citation></citation-alternatives></ref><ref id="cit7"><label>7</label><citation-alternatives><mixed-citation xml:lang="ru">Стадниченко, О. А. Математическое моделирование потоков многокомпонентного газа с энергоемкими химическими процессами на примере пиролиза этана / О. А. Стадниченко, В. Н. Снытников // Вычислительные методы и программирование. — 2014. — Т. 15. — C. 658–668.</mixed-citation><mixed-citation xml:lang="en">Stadnichenko, О.А., Snytnikov, V.N. Matematicheskoe modelirovanie potokov mnogokomponentnogo gaza s energoemkimi khimicheskimi protsessami na primere piroliza etana. [Mathematical modeling of multicomponent gas flows with energy intensive chemical processes by the example of ethane pyrolysis.] Numerical Methods and Programming, 2014, vol. 15, pp. 658–668 (in Russian).</mixed-citation></citation-alternatives></ref><ref id="cit8"><label>8</label><citation-alternatives><mixed-citation xml:lang="ru">Starik, A.M. Kinetics of the oxidation of the products from the thermal destruction of C3H8 and C4H10 in the mixture with air / A.M. Starik, N.S. Titova, L.S. Yanovskii //Kinet. Catal. — 1999. — Vol. 40, № 1. — P. 7−22.</mixed-citation><mixed-citation xml:lang="en">Starik, A.M., Titova, N.S., Yanovskii, L.S. Kinetics of the oxidation of the products from the thermal destruction of C3H8 and C4H10 in the mixture with air. Kinet. Catal., 1999, vol. 40, no. 1, pp. 7−22.</mixed-citation></citation-alternatives></ref><ref id="cit9"><label>9</label><citation-alternatives><mixed-citation xml:lang="ru">Tomlin, A.S. Reduced mechanisms for propane pyrolysis / A.S. Tomlin, M.J. Pilling, J.H. Merkin, J. Brindley,</mixed-citation><mixed-citation xml:lang="en">Tomlin, A.S., Pilling, M.J., Merkin, J.H., Brindley, J., Burgess, N. Gough, A. Reduced mechanisms for propane pyrolysis. Ind. Eng. Chem. Res., 1995, vol. 34, pp. 3749−3760.</mixed-citation></citation-alternatives></ref><ref id="cit10"><label>10</label><citation-alternatives><mixed-citation xml:lang="ru">Burgess, A. Gough // Ind. Eng. Chem. Res. — 1995. — Vol. 34. — P. 3749−3760.</mixed-citation><mixed-citation xml:lang="en">Zhorov, Y.M. Kinetika promyshlennykh organicheskikh reaktsiy: spravochnik. [Kinetics of Industrial Organic Reactions: Handbook.] Moscow: Khimiya, 1989, 384 p. (in Russian).</mixed-citation></citation-alternatives></ref><ref id="cit11"><label>11</label><citation-alternatives><mixed-citation xml:lang="ru">Жоров, Ю. М. Кинетика промышленных органических реакций: справочник / Ю. М. Жоров. — Москва : Химия, 1989. — 384 c.</mixed-citation><mixed-citation xml:lang="en">Mukhina, T.N., Barabanov, N.L., Babash, S.E., et al. Piroliz uglevodorodnogo syr'ya. [Pyrolysis of hydrocarbon feed]. Moscow: Khimiya, 1987, 240 p. (in Russian).</mixed-citation></citation-alternatives></ref><ref id="cit12"><label>12</label><citation-alternatives><mixed-citation xml:lang="ru">Пиролиз углеводородного сырья / Т. Н. Мухина [и др.] — Москва : Химия, 1987. — 240 c.</mixed-citation><mixed-citation xml:lang="en">Nurislamova, L.F., Gubaydullin, I. M., Koledina, K.F. Kinetic Model of Isolated Reactions of the Catalytic Hydroalumination of Olefins. Reaction Kinetics, Mechanisms and Catalysis, 2015, vol. 116, iss.1, pp. 79−93.</mixed-citation></citation-alternatives></ref><ref id="cit13"><label>13</label><citation-alternatives><mixed-citation xml:lang="ru">Nurislamova, L. F. Kinetic Model of Isolated Reactions of the Catalytic Hydroalumination of Olefins / L. F. Nurislamova, I. M. Gubaydullin, K.F. Koledina // Reaction Kinetics, Mechanisms and Catalysis. — 2015. — Vol. 116, Is.1. — P. 79−93.</mixed-citation><mixed-citation xml:lang="en">Nurislamova, L.F., Gubaydullin, I.M., Koledina, K.F., Safin, R.R. Kinetic model of the catalytic hydroalumination of olefins with organoaluminum compounds. Reaction Kinetics, Mechanisms and Catalysis, 2016, vol. 117, iss. 1, pp. 1−14.</mixed-citation></citation-alternatives></ref><ref id="cit14"><label>14</label><citation-alternatives><mixed-citation xml:lang="ru">Nurislamova, L.F. Kinetic model of the catalytic hydroalumination of olefins with organoaluminum compounds / L.F. Nurislamova, I.M. Gubaydullin, K.F. Koledina, R.R. Safin // Reaction Kinetics, Mechanisms and Catalysis. — 2016, — Vol. 117, Is. 1. — P. 1−14.</mixed-citation><mixed-citation xml:lang="en">Nurislamova, L.F., Gubaydullin, I.M. Reduktsiya detal'nykh skhem khimicheskikh prevrashcheniy okislitel'nykh reaktsiy formal'degida i vodoroda na osnovanii rezul'tatov analiza chuvstvitel'nosti matematicheskoy modeli. [Reduction of detailed schemes for chemical transformations of formaldehyde and hydrogen oxidation reactions based on a sensitivity analysis of a mathematical model.] Numerical Methods and Programming, 2014, vol. 15, pp. 685–696 (in Russian).</mixed-citation></citation-alternatives></ref><ref id="cit15"><label>15</label><citation-alternatives><mixed-citation xml:lang="ru">Нурисламова, Л. Ф. Редукция детальных схем химических превращений окислительных реакций формальдегида и водорода на основании результатов анализа чувствительности математической модели / Л. Ф. Нурисламова, И. М. Губайдуллин // Вычислительные методы и программирование. — 2014. — Т. 15. — C. 685–696.</mixed-citation><mixed-citation xml:lang="en">Nurislamova, L.F., Stoyanovskaya, O.P., Stadnichenko, O.A., Gubaidullin, I.M., Snytnikov, V.N., Novichkova, A.V. Few-Step Kinetic Model of Gaseous Autocatalytic Ethane Pyrolysis and Its Evaluation by Means of Uncertainty and Sensitivity Analysis. Chemical Product and Process Modeling, 2014, no. 9(2), pp. 143−154.</mixed-citation></citation-alternatives></ref><ref id="cit16"><label>16</label><citation-alternatives><mixed-citation xml:lang="ru">Nurislamova, L. F. Few-Step Kinetic Model of Gaseous Autocatalytic Ethane Pyrolysis and Its Evaluation by Means of Uncertainty and Sensitivity Analysis / L. F. Nurislamova, O. P. Stoyanovskaya, O. A. Stadnichenko, I. M. Gubaidullin, V. N. Snytnikov, A. V. Novichkova // Chemical Product and Process Modeling. — 2014. — 9(2) — P. 143−154.</mixed-citation><mixed-citation xml:lang="en">Nurislamova, L.F., Gubaydullin, I.M. Issledovanie i redutsirovanie matematicheskoy modeli khimicheskoy reaktsii metodom Sobolya. [Research and reduction of mathematical model of chemical reaction by Sobol’ method.] Computer Research and Modeling, 2016, vol. 8, no. 4, pp. 633–646 (in Russian).</mixed-citation></citation-alternatives></ref><ref id="cit17"><label>17</label><citation-alternatives><mixed-citation xml:lang="ru">Нурисламова, Л. Ф. Исследование и редуцирование математической модели химической реакции методом Соболя / Нурисламова Л. Ф., Губайдуллин И. М. // Компьютерные исследования и моделирование. — 2016. — Т. 8, № 4. — С. 633–646.</mixed-citation><mixed-citation xml:lang="en">Nurislamova, L.F., Gubaydullin, I.M. Metodika polucheniya redutsirovannoy matematicheskoy modeli khimicheskoy reaktsii. [Techniques of obtaining reduced mathematical model of chemical reaction.] Control Systems and Information Technologies, 2014, vol. 57, no. 3.2, pp. 266–271 (in Russian).</mixed-citation></citation-alternatives></ref><ref id="cit18"><label>18</label><citation-alternatives><mixed-citation xml:lang="ru">Нурисламова, Л. Ф. Методика получения редуцированной математической модели химической реакции / Л. Ф. Нурисламова, И. М. Губайдуллин // Системы управления и информационные технологии. — 2014. — Т.57, № 3.2. — С. 266–271.</mixed-citation><mixed-citation xml:lang="en">Нурисламова, Л. Ф. Методика получения редуцированной математической модели химической реакции / Л. Ф. Нурисламова, И. М. Губайдуллин // Системы управления и информационные технологии. — 2014. — Т.57, № 3.2. — С. 266–271.</mixed-citation></citation-alternatives></ref></ref-list><fn-group><fn fn-type="conflict"><p>The authors declare that there are no conflicts of interest present.</p></fn></fn-group></back></article>
