Collapse-driven self-assembly of multiblock chains: a Monte Carlo off-lattice study
K. Lewandowski1 , M. Banaszak1
1 Faculty of Physics, Adam Mickiewicz University, Umultowska 85, 61-614, Poznan, Poland
Journal of Non-Crystalline Solids, 355 (2009) pp. 1289-1294 (2009)
We perform off-lattice Monte Carlo simulations for multiblock chains, (5A-5B)n, with n = 10, 20, 30, 40, 50, and 60, in 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.