Monte Carlo Simulations of Polymer Collapse in an Explicit Solvent of Varying Quality.

The behavior of a single homopolymer chain in an explicit solvent in a wide range of poor and good solvents was investigated. For this purpose, a two-dimensional coarse-grained model based on a triangular lattice was used. Simulations were carried out by the Monte Carlo method using the Cooperative Motion Algorithm to study high-density systems. The scaling relations of the parameters describing the phase transitions of the chain were determined. For systems with polymer-solvent attraction, significant changes in chain size and shape were observed. This was associated with the mechanism of chain penetration by solvents and the formation of structures via a mechanism called 'Bridging-Induced Attraction', similar to those discovered for three dimensions.