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New models and calculation schemes have been developed for the quantitative analysis of a number of physical properties of polymers — glass transition temperature, flow temperature of polymer nanocomposites, thermal conductivity, boiling point of polymer solutions, water absorption and water permeability of polymers and nanocomposites, strength, viscosity, storage and losses moduli, refractive index and dielectric constant. All calculation schemes are based on the structure of linear and cross-linked polymers; their degree of crystallinity, free volume, the effect of temperature, the composition of copolymers and homogeneous mixtures of polymers, the concentration of nanoparticles, their shape, size distribution, orientation angles, the structure of polar groups grafted to the surface of nanoparticles, the energy of intermolecular interactions are taken into account. All computational schemes are computerized and allow calculations to be carried out automatically after the introduction of the structure of a repeating unit of polymer unit into the computer, as well as the shape and size of nanofillers.

Newest models and calculation schemes for quantitative analysis of physical properties of polymers