Parallel Computing in Solving the Problem of Interval Multicriteria Optimization in Chemical Kinetics

Koledin, S. N.; Коледина, К. Ф.; Gubaydullin, I. M.

doi:10.1007/978-3-031-22941-1_15

Cited by 2 publications

(2 citation statements)

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“…Such examined reagents of the olefin hydroalumination (HA) reaction with OACs were CH 2 CHR and Bu 2 Al(CH 2 CH 2 R). To solve the direct and inverse problems, parallelization methods were applied [40,41]. The values of the kinetic parameters of the steps of the chemical transformations of the olefin HA reactions with the OACs were calculated (Table 2).…”

Section: Kinetic Model Of a Metal Complex Catalytic Reactionmentioning

confidence: 99%

“…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). To solve the direct and inverse problems, ods were applied [40,41]. The values of the kinetic parameters of the transformations of the olefin HA reactions with the OACs were calhemical transformations of general olefin HA reactions with OACs.…”

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%