Off-lattice Monte Carlo simulation of polymer brushes in good solvents
We report an off-lattice Monte Carlo calculation of the equilibrium properties of a monodisperse polymer brush in a good solvent. We find that the density profile, in general, is in agreement with the results of self-consistent field theory, with some discrepancies observed near the wall and at the tail of the profile. Other quantities, such as the probability distribution of monomers, the average bond orientation, and the relative mean square displacement of monomers, are also compared with the results of the self-consistent field theory. © 1994 The American Physical Society.
Physical Review E
Laradji, M., Guo, H., & Zuckermann, M. (1994). Off-lattice Monte Carlo simulation of polymer brushes in good solvents. Physical Review E, 49 (4), 3199-3206. https://doi.org/10.1103/PhysRevE.49.3199