文章基本信息

标题：Modeling of Isocyanate Synthesis by the Thermal Decomposition of Carbamates
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作者：Ratmir Dashkin ; Georgii Kolesnikov ; Pavel Tsygankov 等
期刊名称：Computation
电子版ISSN：2079-3197
出版年度：2020
卷号：8
期号：4
页码：89-114
DOI：10.3390/computation8040089
出版社：MDPI Publishing
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.
关键词：modeling; COMSOL Multiphysics; isocyanates; thermolysis modeling ; COMSOL Multiphysics ; isocyanates ; thermolysis