Optimization of the production process of 3-nitrothioanisole as active substance for medicines and cosmetic remedies

Students Name: Hrabazei Iryna Olehivna
Qualification Level: master (ESP)
Speciality: Chemical Technology and Engineering
Institute: Institute of Chemistry and Chemical Technologies
Mode of Study: full
Academic Year: 2019-2020 н.р.
Language of Defence: ukrainian
Abstract: 3-Nitrothioanisole is a substance that is widely used in many industries, the main of which is the pharmaceutical industry. Nowadays, the main factor that limits the development of pharmaceutical industry is limited industrial synthesis of active pharmaceutical agents due to their negative impact to nature. 3-Nitrothioanisole differentiate ourselves from many other active pharmaceutical agents by having technology with using the principles of “Green Chemistry”. This innovative approach may significantly reduce the negative effects of production 3-Nitrothioanisole. The aim of this Master’s qualification thesis is optimization of the production process of 3-Nitrothioanisole by using mathematical modeling methods. Within the research, using the Object Pascal programming language and the Delphi programming environment a unique program was created by me. This program is able to select a mathematical model of the 3-Nitrothioanisole production process, as well as to study the process kinetics reaction and could solve the inverse kinetics problem. The mathematical model selected in this way allows to obtain all necessary information about features of the process and let us optimize the production process. During the research, optimization of the production process of 3-Nitrothioanisole was carried out by selecting the optimal reaction equipment and optimizing the optimal conditions for the process. To solve the optimization puzzles, several programs were created with using the Delphi and Maple programming environment. Optimization of the production process of 3-Nitrothioanisole by mathematical model methods and using different programming environments allowed to make a choice of the types of reactors, as well as select the optimal conditions for the studied process. This approach let us increase the yield of 3-Nitrothioanisole compare with using of non-optimized process [1]. Within the Master’s qualification thesis economic estimations were conducted, which had shown that the payback period of the initial investment in the optimized scheme of production process of 3-Nitrothioanisole is almost three times lower than in the case of non-optimized process.