Software Complex and Mathematical Models for Technological Design of Ozone-safe Chladones Synthesis Processes

The functional structure of the problem-oriented software complex for solving the problem of designing a technological scheme for the multi-product processes for the synthesis of ozone-safe chladones is presented in the article. The inclusion of a customizable relational database of chladone characteristics in the software complex allows selecting equipment (working volumes of reactors) to form a production flow chart based on specified criteria (productivity, energy consumption, output concentrations of the target and by-products, etc.). The mathematical models library is the basis of the software complex. Mathematical models allow performing verification calculations of various reactors for the synthesis of a wide range of chladones in accordance with the technical specification. The advantage of the software complex is the ability to analyze the effect of contact time and process temperature on the output concentrations of by-products and target products with different compositions of the initial reaction mixture. The use of the software complex allows increasing the efficiency of designing chladones synthesis processes by reducing the time spent on selecting the hardware design of processes that ensure high conversion of raw materials and the required selectivity of processes for the target component.