Development of an Importance Sampling Single Chain Mean Field Theory for Polymer Adsorption onto a Flat Wall

Abstract

In this work we have introduced an importance sampling methodology in the framework of the single chain mean field theory (SCMF), to describe the adsorption of moderately long polymers onto solid surfaces. Since the method is based on the generation of self-avoiding chain conformations, excluded volume correlations along the chain backbone are maintained, leading to the proper scaling behavior in the properties depending on one-chain statistics, unlike the self-consistent field theories based on ideal (Markovian) chains. The formulation presented is general and is expected to be very useful for future applications. Because of its mean field nature, the methodology does not require large computer capabilities. As an application of the methodology given here, we present novel results on the profiles of the end-monomer distributions for two chain lengths and different bulk concentrations.