Simulation of conformational properties of end-grafted diblock copolymers

Abstract

Conformational properties of end-grafted flexible diblock copolymers were studied by using Monte Carlo simulation. The copolymers, XA_nB_n and XB_nA_n, are grafted with the end X to a flat surface which attracts monomers A but repulses monomers B. Results show that the blocks A in XA_nB_n and XB_nA_n are adsorbed upon the surface at low temperature, and the adsorption of blocks A takes place roughly at the same temperature. However, the conformational size and instantaneous shape of the blocks A and B in XA_nB_n and XB_nA_n are different. The possible reasons were discussed and they were interpreted by different properties and grafting locations of the two blocks.