Thermodynamic Modeling of Nanocomposites

摘要

A thermodynamic model of nanocomposites is developed taking into account local and collective interactions of the solid nanoparticles with polymer as well as the structure of interfacial layer. The local interactions was characterized by the change of the chemical potential of macromolecules on the solid surface ((DELTA)G_(kappa)) according to Gibbs-Thomson equation. The collective interactions were calculated using the free energy change upon the addition of a second component to the system ((DELTA)G_(d)). The equations are derived to calculate change in the thermodynamic parameters of the system as a function of the interfacial energy, solid particle size and supermolecular structure of polymer. Calculated values are in agreement with the experimental data on the dependencies of physico-mechanical and electrophysical characteristics of polymer composites on the specific area and surface properties of solid particles.