The development of the chemical industry in recent years requires the development of economical and environmentally friendly technological systems during production. In order to solve all possible problems, work is underway to optimize the production process as a whole, to develop waste-free or low-waste technologies. The most important condition for this is modeling and optimization of chemical production. By applying computer modeling, it is possible to predict the properties of many compounds, as well as numerous processes. This creates conditions for pre-assessment of existing risks and finding alternative ways by obtaining simulations of processes that require expensive resources and are accompanied by the separation of harmful waste. The article contains information about computer models in general, their superior and deficient properties, as well as the classification of computer modeling methods, modern literature on the application of these models in chemistry was reviewed.

doi.org/10.32737/0005-2531-2024-2-5-15