DOI: 10.3390/ma16175755 ISSN:

Structure of Strongly Adsorbed Polymer Systems: A Computer Simulation Study

Patrycja Olczyk, Andrzej Sikorski
  • General Materials Science

The structure of very thin polymer films formed by strongly adsorbed macromolecules was studied by computer simulation. A coarse-grained model of strictly two-dimensional polymer systems was built, and its properties determined by an efficient Monte Carlo simulation algorithm. Properties of the model system were determined by means of Monte Carlo simulations with a sampling algorithm that combines Verdier–Stockmayer, pivot and reputation moves. The effects of temperature, chain length and polymer concentration on the macromolecular structure were investigated. It was shown that at low temperatures, the chain size increases with the concentration, that is, inversely with high temperatures. This behavior should be explained by the influence of inter-chain interactions.

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