Monte Carlo Simulations of Polymer Collapse in an Explicit Solvent of Varying Quality
Year: 2025
Type: article
Abstract: 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.
Source: Polymers
Authors: Piotr Polanowski, Andrzej Sikorski
Institutions: Lodz University of Technology, University of Warsaw
Language: English
Subfield: Condensed Matter Physics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $3,258
OpenAlex ID: W4409326248