Abstract
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.
Highlights
Isocyanates are currently one of the most in demand products in the chemical industry, since they are used as raw materials in polyurethane production [1]
This paper studies methods for the synthesis of three aliphatic isocyanates by the thermal decomposition of carbamates, researches the kinetics of the thermolysis, and proposes a mathematical model of the process developed with the COMSOL Multiphysics software
A mathematical model for carbamate thermolysis developed with the help of the COMSOL
Summary
Isocyanates are currently one of the most in demand products in the chemical industry, since they are used as raw materials in polyurethane production [1]. Polyurethanes are used in many industries, including construction; in the manufacture of automotive parts; and as insulation materials, paints, varnishes, adhesives, fillers for upholstered furniture, etc. Isocyanates are valuable intermediates in the fine organic synthesis of pesticides and other biologically active substances. Isocyanate production is associated with a number of problems because intermediates are highly toxic and explosive substances, and, ensuring industrial safety requires great investment. The phosgenation of amines is the most popular method for isocyanate synthesis [2]. The toxicity of phosgene and the risk of its leakage, create a number of disadvantages in this method
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
