Monte Carlo Simulation Study of Polymer Adsorption on Rough surfaces.

Abstract

In this work we have presented Monte Carlo simulations of linear polymer adsorption on rough surfaces in a two dimensional (2D) lattice. To this end we used the bond fluc tuation model (BFM) to study the adsorption process of a polymer chain length N. We have calculated the average mean-square end-to-end distance hR2 (N)i and the mean square radius of gyration hR2 g (N)i as a function of chain length N. We found that the scaling relation of both the mean square end-to-end distance and the radius of gyration as a function of chain length N are non universal due to the effect of surface rough ness. On the other hand, the adsorbed monomers, averaged adsorbed monomers, av eraged adsorbed monomers fraction, adsorption energy and averaged adsorption en ergy were measured as function of chain length N, surface roughness height(h) and ad sorption energy with the interaction( s). Our results show that the longest chain length N = 85 has maximum surface coverage of adsorbed monomers and averaged adsorbed monomers. Also for a given, chain length as the surface roughness height(h) increases the adsorbed monomers, averaged adsorbed monomers, averaged adsorption energy, adsorption energy and averaged adsorbed monomers fraction were decreased. Short chain lengthN = 30 has maximum averaged adsorbed monomers fraction and opti mum surface coverage. Adsorption energy was optimum for the strongest interaction strength ( s) and longer chain length.