Thermodynamics of tubelike flexible polymers

Details Thermodynamics of tubelike flexible polymers Thermodynamics of tubelike flexible polymers

2009-07-17

arxiv.org/abs/0907.3042v1

Phys. Rev. E 80, 011802 (2009)

Physics

Condensed Matter

Soft Condensed Matter

Scientific paper

10.1103/PhysRevE.80.011802

In this work we present the general phase behavior of short tubelike flexible polymers. The geometric thickness constraint is implemented through the concept of the global radius of curvature. We use sophisticated Monte Carlo sampling methods to simulate small bead-stick polymer models with Lennard-Jones interaction among non-bonded monomers. We analyze energetic fluctuations and structural quantities to classify conformational pseudophases. We find that the tube thickness influences the thermodynamic behavior of simple tubelike polymers significantly, i.e., for given temperature, the formation of secondary structures strongly depends on the tube thickness.

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