Modeling of Isocyanate Synthesis by the Thermal Decomposition of Carbamates

被引：9

作者：

Dashkin, Ratmir ^{[1
]}

Kolesnikov, Georgii ^{[1
]}

Tsygankov, Pavel ^{[2
]}

Lebedev, Igor ^{[2
]}

Lebedev, Artem ^{[2
]}

Menshutina, Natalia ^{[2
]}

Ghafurov, Khusrav ^{[1
]}

Bagomedov, Abakar ^{[1
]}

机构：

[1] Mendeleev Univ Chem Technol Russia, Ctr Engn, Moscow 125047, Russia

[2] Mendeleev Univ Chem Technol Russia, Int Sci & Educ Ctr Transfer Biopharmaceut Technol, Moscow 125047, Russia

来源：

COMPUTATION | 2020年 / 8卷 / 04期

关键词：

modeling; COMSOL Multiphysics; isocyanates; thermolysis;

D O I：

10.3390/computation8040089

中图分类号：

O1 [数学];

学科分类号：

0701 ; 070101 ;

摘要：

The presented work is devoted to isocyanate synthesis by the thermal decomposition of carbamates model. The work describes the existing isocyanate-obtaining processes and the main problems in the study of isocyanate synthesis by the thermal decomposition of carbamates, which can be solved using mathematical and computer models. Experiments with carbamates of various structures were carried out. After processing the experimental data, the activation energy and the pre-exponential factor for isocyanate synthesis by the thermal decomposition of carbamates were determined. Then, a mathematical model of the reactor for the thermal decomposition of carbamates using the COMSOL Multiphysics software was developed. For this model, computational experiments under different conditions were carried out. It was shown that the calculation results correspond to the experimental ones, so the suggested model can be used in the design of the equipment for isocyanate synthesis by the thermal decomposition of carbamates.

引用

页数：26

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