Kinetic model of the catalytic reaction of dimethylcarbonate with alcohols in the presence Co2(CO)8 and W(CO)6

Коледина, К. Ф.; Koledin, S. N.; Schadneva, N. A.; Mayakova, Yu. Yu.; Gubaydullin, I. M.

doi:10.1007/s11144-017-1181-3

Cited by 26 publications

(6 citation statements)

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“…Furthermore, three reactions with organoaluminum compounds (OACs) have identical steps themselves. That is why for the solution of an inverse problem, it is necessary to take into account the fact that the values of the kinetic parameters at these steps must be identical [38,39].…”

Section: Kinetic Model Of a Metal Complex Catalytic Reactionmentioning

confidence: 99%

“…Furthermore, three oaluminum compounds (OACs) have identical steps themselves. olution of an inverse problem, it is necessary to take into account the f the kinetic parameters at these steps must be identical [38,39]. tic problem of the stage parameters' identification was resolved with optimization algorithm with the minimization of the deviation of the ctional from the experimental data for concentrations of the examxamined reagents of the olefin hydroalumination (HA) reaction with R and Bu2Al(CH2CH2R).…”

Section: Kinetic Model Of a Metal Complex Catalytic Reactionmentioning

confidence: 99%

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Multiobjective Optimization of a Metal Complex Catalytic Reaction Based on a Detailed Kinetic Model with Parallelization of Calculations

2023

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The solution of the multiobjective optimization problem was performed with the help of the Pareto approximation algorithm. The problem of multiobjective optimization of the reaction process conditions for the olefin hydroalumination catalytic reaction, with the presence of organoaluminum compounds diisobutylaluminiumchloride, diisobutylaluminiumhydrate, and triisobutylaluminum, was solved. The optimality criteria are the yield of the reaction resultants. The largest yield of the high-order organoaluminum compound Bu2AlR was observed for the reactions with diisobutylaluminiumhydrate and triisobutylaluminum. Such results were obtained due to the fact that in the case of diisobutylaluminiumchloride, Bu2AlR was used for the formation of ClBuAlR. The yield of the Schwartz reagent Cp2ZrHCl was higher by a third in the reaction in the presence of diisobutylaluminiumchloride. Unlike the experimental isothermal conditions, the temperature optimal control showed the sufficiency of the gradual growth temperature for achieving the same or higher values of optimality criteria. For computational experiments, the algorithm for solving the multi-criteria optimization problem was parallelized using an island model.

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Section: Kinetic Model Of a Metal Complex Catalytic Reactionmentioning

confidence: 99%

Section: Kinetic Model Of a Metal Complex Catalytic Reactionmentioning

confidence: 99%

Multiobjective Optimization of a Metal Complex Catalytic Reaction Based on a Detailed Kinetic Model with Parallelization of Calculations

2023

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“…Так, при рассмотрении изотермической нестационарной реакции, протекающей в закрытой системе, без изменения числа молей, математическое описание примет вид системы дифференциальных уравнений (1) [10,11]:…”

Section: прямая кинетическая задача расчета концентраций веществ по заданным параметрамunclassified

Information System of Consistent Analysis of Catalytic Reactions by Mathematical Methods

Koledin

Коледина

Gubaydullin

et al. 2019

EDPFS

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ИнформацИонные комплексы И сИстемы Муллаянова А.Ф. Mullayanova A.F. аспирант лаборатории математической химии Института нефтехимии и катализа УФИЦ РАН, г. Уфа Российская Федерация Габитов С.А. Gabitov S.A. магистрант Уфимского государственного нефтяного технического университета, г. Уфа, Российская Федерация Коледин С.Н. Koledin S.N. старший преподаватель кафедры «Математика» Уфимского государственного нефтяного технического университета, г. Уфа, Российская Федерация Коледина К.Ф. Koledina K.F. кандидат физико-математических наук, научный сотрудник лаборатории математической химии Института нефтехимии и катализа УФИЦ РАН, доцент кафедры «Математика» Уфимского государственного нефтяного технического университета, г. Уфа, Российская Федерация Губайдуллин И.М. Gubaydullin I.M. доктор физико-математических наук, доцент, старший научный сотрудник лаборатории математической химии Института нефтехимии и катализа УФИЦ РАН, профессор кафедры «Технология нефти и газа» Уфимского государственного нефтяного технического университета, г. Уфа, Российская Федерация УДК 517.977.5 DOI: ИНФОРМАЦИОННАЯ СИСТЕМА ПОСЛЕДОВАТЕЛЬНОГО АНАЛИЗА КАТАЛИТИЧЕСКИХ РЕАКЦИЙ МАТЕМАТИЧЕСКИМИ МЕТОДАМИ В работе приведена схема информационной системы последовательного анализа каталитических реакций математическими методами. Анализ начинается с построения кинетической модели и заканчивается оптимизацией условий проведения химического процесса,

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“…где x -вектор концентраций веществ; x 0 -вектор начальных концентраций веществ; η -вектор весов веществ; μ -дополнительные затраты; t* -время проведения реакции, мин; T -температура, °C, Pдавление, атм. Для оптимизации условий проведения химической реакции дегидрирования этанола в этилацетат в соответствии с (3) можно использовать следующие критерии [8].…”

Section: таблицаunclassified

Multi-Criteria Optimization of the Conditions of the Catalytic Reaction of Degradation of Ethanol to Ethyl Acetate

Коледина¹,

Koledin²,

Gubaydullin³

2018

Вестник Башкирск. ун-та.

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Kinetic model of the catalytic reaction of dimethylcarbonate with alcohols in the presence Co2(CO)8 and W(CO)6

Cited by 26 publications

References 30 publications

Multiobjective Optimization of a Metal Complex Catalytic Reaction Based on a Detailed Kinetic Model with Parallelization of Calculations

Multiobjective Optimization of a Metal Complex Catalytic Reaction Based on a Detailed Kinetic Model with Parallelization of Calculations

Information System of Consistent Analysis of Catalytic Reactions by Mathematical Methods

Multi-Criteria Optimization of the Conditions of the Catalytic Reaction of Degradation of Ethanol to Ethyl Acetate

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