Collapse-driven self-assembly of multiblock chains: A Monte Carlooff-lattice study

Abstract We perform off-lattice Monte Carlo simulations for multiblock chains, ( 5 A - 5 B ) n , with n = 10 , 20 , 30 , 40 , 50 , and 60 , in an implicit selective solvent, using a discontinuous square-well potential. We present selected thermodynamic and structural properties as a function of the reduced temperature, such as the reduced energy per segment, the reduced heat capacity, and the mean-squared radius of gyration. We observe that the collapse-driven self-assembled structure is not spherical above certain value of chain length, N, and develops a non-spherical globular structure with multiple cores.