Structure of polymer melts and blends: Comparison of integral equation theory and computer simulations

This review covers the most recent developments using the Polymer Reference Interaction Site Model (PRISM) integral equation theory to study polymer melts and blends. Comparisons to computer simulations are presented that have isolated the deficiencies in the theory and led to improvements including the self-consistent approach where the theory is coupled with single chain Monte Carlo simulations. Using recent simulation results, we outline the strengths and weaknesses of the theory at different levels of detail, from coarse grained bead-spring models to explicit atom models. We conclude with an overview of future directions that are beginning to be undertaken. © Springer-Verlag Berlin Heidelberg 2005.