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Computer Simulation of the Dynamic Behavior of Double Polymer Brush-Solvent Systems

Hałagan Krzysztof, Banaszak Michał, Jung Jarosław, Polanowski Piotr, Sikorski Andrzej

Opposing polymer brush systems were investigated by computer simulations. In a coarse-grained model, chains were restricted to a face-centered cubic lattice with the excluded volume interactions only. The macromolecules were grafted onto two parallel impenetrable surfaces. The dynamic properties ...

The Comparison of Monte Carlo Algorithms Applied for Off-Lattice Models of Polymer Chains

Kuriata Aleksander, Gront Dominik, Sikorski Andrzej

We designed two simplified models of macromolecular systems. Model chains were built of united atoms (statistical segments): the first one was a bead-spring model while in the second one beads were connected by bonds of constant length. The only potential introduced was the excluded volume and th ...