Modeling of Production Processes of Polyvinyl Chloride and Caustic Soda, Chlorine, and Hydrogen by Electrolytic Method

The presented work describes original computer training complexes that differ from the known digital twins of chemical-engineering systems developed in software packages of such modeling environments as Aspen Plus, Visual Modeler, Unisim Design, HYSYS, ChemCad, etc., in the fact that mathematical models were developed for specific processes based on fundamental laws and empirical relationships. The proposed complexes can be used to determine methods for intensifying chemical-technological processes, using knowledge of the parameters of technological environments at the “micro level,” obtained through modeling. A digital twin of the vinyl chloride polymerization process is described, which allows determining the molecular weight distribution of polymer molecules, taking into account the temperature distribution of polymer–monomer particles. The digital twin of the vinyl chloride polymerization process allows determining the physical and chemical properties of polyvinyl chloride during the polymerization process, and will facilitate the analysis of the technological process modes and predict changes in the parameters when emergency situations arise, which will increase the level of problem-free operation. A description is given of a digital twin that simulates the parameters of an electrolyzer in the production of caustic soda, chlorine, and hydrogen, based on the mathematical dependence of the volt–ampere characteristic on the process temperature. The use of a digital twin of the electrolysis process for the production of caustic soda, chlorine, and hydrogen makes it possible to model the process parameters of the electrolyzer, which allows establishing the optimal modes for conducting technological processes and predicting changes in the parameters when emergency situations arise.