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Exact solution of the Zwanzig-Lauritzen model of Polymer Crystallization under Tension

Statistical Mechanics 2015-06-12 v1 Soft Condensed Matter

Abstract

We solve a two dimensional model for polymer chain folding in the presence of mechanical pulling force (ff) exactly using equilibrium statistical mechanics. Using analytically derived expression for the partition function we determine the phase diagram for the model in the ff-temperature (TT) plane. A square root singularity in the susceptibility indicates a second order phase transition from a folded to an unfolded state at a critical force (fcf_c) in the thermodynamic limit of infinitely long polymer chain. Surprisingly, the temperature dependence of fcf_c shows a reentrant phase transition, which is reflected in an increase in fcf_c as TT increases below a threshold value. For a range of ff values, the unfolded state is stable at both low and high temperatures. The high temperature unfolded state is stabilized by entropy whereas the low temperature unfolded state is dominated by favorable energy. The exact calculation could serve as a bench mark for testing approximate theories that are used in analyzing single molecule pulling experiments.

Keywords

Cite

@article{arxiv.1211.2793,
  title  = {Exact solution of the Zwanzig-Lauritzen model of Polymer Crystallization under Tension},
  author = {Himadri S Samanta and D. Thirumalai},
  journal= {arXiv preprint arXiv:1211.2793},
  year   = {2015}
}

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