Crossover from two- to three-dimensional contraction of polymer chains in semidilute solutions confined to a narrow slit
After studying the contraction of 2D chains, the contraction in chains of different lengths confined to slits of different widths were compared to uncover universal crossover characteristics. Simulations were performed by generating self-avoiding random walks of N-1 steps, where N = 100, 200, 400, and 800, in a simulation box that consists of a given number of layers extending in x and y directions in a cubic lattice. The two layers adjacent to the box represented the slit walls. The slit width d was given by d/a = 1+(the number of layers in the box). A periodic boundary condition was applied to the x and y directions. Chains were moved by the reptation mechanism until equilibrium was reached.
Teraoka, I., & Wang, Y. (2000). Crossover from two- to three-dimensional contraction of polymer chains in semidilute solutions confined to a narrow slit. Macromolecules, 33 (18), 6901-6903. https://doi.org/10.1021/ma0006373