On the overall elastic moduli of polymer–clay nanocomposite materials using a self-consistent approach. Part I: Theory

Although few investigations recently proposed to describe the overall elastic response of polymer–clay nanocomposite materials using micromechanical-based models, the applicability of such models for nanocomposites is far from being fully established. The main point of criticism to mention is the shelving of crucial physical phenomena, such as interactions and length scale effects, generally associated by material scientists, in addition to the nanofiller aspect ratio, to the remarkable mechanical property enhancement of polymer–clay nanocomposites. In this Part I of two-part paper, we present a micromechanical approach for the prediction of the overall moduli of polymer–clay nanocomposites using a self-consistent scheme based on the double-inclusion model. This approach is used to account for the inter-inclusion and inclusion–matrix interactions. Although neglected in the models presented in the literature, the active interaction between the nanofillers should play a key role in the reinforcing effect of nano-objects dispersed in a polymer matrix. The present micromechanical model incorporates the nanostructure of clay stacks, modeled as transversely isotropic spheroids, and the so-called constrained region, modeled as an interphase around reinforcements. This latter is linked to the interfacial interaction between matrix and reinforcements that forms a region where the polymer chain mobility is reduced. To account for length scale effects, interphase thickness and particle dimensions are taken as explicit model parameters. Instead of solving iteratively the basic homogenization equation of the self-consistent scheme, our formulation yields to a pair of equations that can be solved simultaneously for the overall elastic moduli of composite materials. When the interphase is disregarded for spheroids with zero aspect ratio, our formulation coincides with the Walpole solution (J Mech Phys Solids 1969;17:235–251). Using the proposed general form, a parametric study is presented to analyze the respective influence of aspect ratio, number of silicate layers, interlayer spacing and nanoscopic size of the transversely isotropic spheroids on the overall elastic moduli of nanocomposite materials.