Currently, methods for predicting the properties of polymers are very popular, since they simplify the work of synthetic chemists. Instead of lengthy and time-consuming experiments, many properties of polymers can be predicted in advance based on their chemical structure. Naturally, such tasks must be computerized so that the properties are predicted after the chemical structure of the repeating polymer unit is displayed on the display screen. This is the so-called direct task. The inverse problem is more complex and interesting. It consists in entering the intervals of the desired characteristics into the computer. Then computer synthesis of polymers possessing these characteristics are realized. The work consists in writing a computer program that allows the computer synthesis of polymers of different classes with specified intervals of water permeability. These classes include polyurethanes, polysulfones, polysulfides, polyethers and polyesters, polyamides, polyketones and polyethyrketones, polycarbonates, polyolefins, vinyl polymers, polystyrene, acrylic and methacrylic polymers. On the basis of this program, water permeability compatibility diagrams are constructed with various physical characteristics of polymers – glass transition temperature, temperature of the onset of intensive thermal degradation, cohesion energy, density, solubility parameter (Hildebrand parameter).
Emerging polyanionic and organic compounds for high energy density, non-aqueous potassium-ion batteries
