Mathematical Modeling of Induction Period of the Olefins Hydroalumination Reaction by Diisobutylaluminiumchloride Catalyzed with Cp2ZrCl2

Gubaydullin, I. M.; Коледина, К. Ф.; Sayfullina, Leniza

doi:10.4186/ej.2014.18.1.13

Cited by 32 publications

(7 citation statements)

References 5 publications

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“…Previously, we demonstrated that, in the presence of complex 1a , at a reactant molar ratio 1a :OAC:alkene of 1:60:50, the highest hydroalumination rate among the chosen OACs was observed for AlBu i 3. In the case of ClAlBu i 2 , a long-term induction period (up to 3 h) was found . Diisobutylaluminum hydride showed the lowest activity among the studied OACs (Figure a).…”

Section: Resultsmentioning

confidence: 93%

Role of Zr,Al Hydride Intermediate Structure and Dynamics in Alkene Hydroalumination with XAlBuⁱ₂ (X = H, Cl, Buⁱ), Catalyzed by Zr η⁵ Complexes

et al. 2015

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The zirconocene complexes L2ZrCl2 (L = C5H5, C5H4Me, Ind, C5Me5; L2 = rac-Me2C(2-Me-4-But-C5H2)2, meso-Me2C(2-Me-4-But-C5H2)2, rac-Me2C(3-But-C5H3)2, rac-Me2C(Ind)2, rac-Me2Si(Ind)2, and rac- C2H4(Ind)2) were tested as catalysts in alkene hydroalumination by the isobutylalanes XAlBui 2 (X = H, Cl, Bui). A low-temperature NMR spectroscopy study on the structure and dynamics of Zr,Al intermediates formed in the L2ZrCl2–XAlBui 2 systems showed that the intra- and intermolecular exchange in the bimetallic clusters, controlled by the steric factor of the η5 ligand and organoaluminum compound nature, determines the activity of the whole catalytic system.

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Section: Resultsmentioning

confidence: 93%

Role of Zr,Al Hydride Intermediate Structure and Dynamics in Alkene Hydroalumination with XAlBuⁱ₂ (X = H, Cl, Buⁱ), Catalyzed by Zr η⁵ Complexes

et al. 2015

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“…The corrosion rate can be affected by controlling the process kinetics in the case of electrochemical corrosion. Determination of the optimal conditions from the kinetic model of the process [17][18][19] can provide control over the phenomenon. Yan Yun Hui presented another method for identification of metal corrosion damage based on the minimum distance between the recognition objects [20].…”

Section: Computer Vision Methods and Goalsmentioning

confidence: 99%

Analysis of Corrosion Process Development on Metals by Means of Computer Vision

Enikeev¹,

Gubaydullin²,

Малеева³

2017

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Abstract. The paper deals with computer vision and image processing methods applied to the task of corrosion damage search. A step-by-step algorithm is given for processing of the data from a chemical corrosion experiment on a metal surface: image preprocessing, image binarization and identification of object contours, and analysis of object characteristics. The application of the developed methods is exemplified by detection and recognition of corrosion damage on a steel specimen, pitting corrosion, and corrosion of an aluminum specimen. Furthermore, the mechanism of fractal analysis for corrosion cracking specimens was studied and fractal dimension was selected as characteristics of corrosion damage.

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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%

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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Mathematical Modeling of Induction Period of the Olefins Hydroalumination Reaction by Diisobutylaluminiumchloride Catalyzed with Cp2ZrCl2

Cited by 32 publications

References 5 publications

Role of Zr,Al Hydride Intermediate Structure and Dynamics in Alkene Hydroalumination with XAlBuⁱ₂ (X = H, Cl, Buⁱ), Catalyzed by Zr η⁵ Complexes

Role of Zr,Al Hydride Intermediate Structure and Dynamics in Alkene Hydroalumination with XAlBuⁱ₂ (X = H, Cl, Buⁱ), Catalyzed by Zr η⁵ Complexes

Analysis of Corrosion Process Development on Metals by Means of Computer Vision

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

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Mathematical Modeling of Induction Period of the Olefins Hydroalumination Reaction by Diisobutylaluminiumchloride Catalyzed with Cp2ZrCl2

Cited by 32 publications

References 5 publications

Role of Zr,Al Hydride Intermediate Structure and Dynamics in Alkene Hydroalumination with XAlBui2 (X = H, Cl, Bui), Catalyzed by Zr η5 Complexes

Role of Zr,Al Hydride Intermediate Structure and Dynamics in Alkene Hydroalumination with XAlBui2 (X = H, Cl, Bui), Catalyzed by Zr η5 Complexes

Analysis of Corrosion Process Development on Metals by Means of Computer Vision

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

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Role of Zr,Al Hydride Intermediate Structure and Dynamics in Alkene Hydroalumination with XAlBuⁱ₂ (X = H, Cl, Buⁱ), Catalyzed by Zr η⁵ Complexes

Role of Zr,Al Hydride Intermediate Structure and Dynamics in Alkene Hydroalumination with XAlBuⁱ₂ (X = H, Cl, Buⁱ), Catalyzed by Zr η⁵ Complexes