The latest developments of models and calculation schemes for the quantitative analysis of the physical properties of polymers
T.A. Matseevichb aNesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences, Vavilova st. 28, Moscow, 119991, Russian Federation bMoscow State University of Civil Engineering, Yaroslavskoe shosse 26, Moscow, 129337, Russian Federation
The newest models and calculation schemes for the quantitative analysis of a number of physical properties of polymers are described. Among the physical properties are the glass transition temperature, the flow temperature of polymer nanocomposites, the thermal conductivity, the boiling point of polymer solutions, the water absorption and water permeability of polymers and nanocomposites, the strength, viscosity, storage and loss 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 influence of temperature, the composition of copolymers and homogeneous mixtures of polymers are taken into account. In the case of nanocomposites, the concentration of nanoparticles, their shape, size distribution, orientation angles, the structure of polar groups grafted to the surface of nanoparticles, and the energy of intermolecular interactions are taken into account. Spherical nanoparticles, rectangular plates and nanofibers are considered. The calculation scheme for the refractive index and the dielectric constant takes into account the effect of the plasticizing action of the remnants of the synthesis products and the solvent, the nonlinearity on the Clausis—Mossoti function, the composition of the nanoparticles, and the temperature. All calculation schemes are computerized and allow automatic calculations after the introduction into the computer of the structure of the repeating unit of the polymer, as well as the shape and dimensions of the nanofillers.
Keywords: glass transition temperature, flow temperature, thermal conductivity, ebullioscopy constant, water absorption, water permeability of polymers and nanocomposites, yield strength, viscosity, storage modulus and loss modulus, refractive index, dielectric constant DOI:10.3367/UFNe.2018.11.038473 Citation: Askadskii A A, Matseevich T A "The latest developments of models and calculation schemes for the quantitative analysis of the physical properties of polymers" Phys. Usp., accepted
Received: 25th, September 2018, revised: 6th, November 2018, accepted: 15th, November 2018