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Unfolding a collapsed macromolecule: a first-order phase transition

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  • Pik-Yin Lai,

Abstract

Using a simple phenomenological mean-field model and Monte Carlo simulation, we investigate a collapsed macromolecular chain in poor solvent conditions under the action of a force to unwind it. We show that the macromolecule changes from the collapsed state to the stretched state via a first-order transition as the stretching force is increased. The phase diagram is calculated which consists of a first-order line with a tricritical end point. These analytical results are confirmed by Monte Carlo simulation using the bond-fluctuation model. The first-order transition is observed clearly in the data and a strong hysteresis effect is associated with the transition. Possible connections to molecular gateway and memory devices in chemical engineering are also explored.

Suggested Citation

  • Pik-Yin Lai,, 1995. "Unfolding a collapsed macromolecule: a first-order phase transition," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 221(1), pages 233-240.
    • Handle: RePEc:eee:phsmap:v:221:y:1995:i:1:p:233-240
    DOI: 10.1016/0378-4371(95)00239-4
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