English

Collapse transitions of a periodic hydrophilic hydrophobic chain

Condensed Matter 2009-10-31 v1

Abstract

We study a single self avoiding hydrophilic hydrophobic polymer chain, through Monte Carlo lattice simulations. The affinity of monomer ii for water is characterized by a (scalar) charge λi\lambda_{i}, and the monomer-water interaction is short-ranged. Assuming incompressibility yields an effective short ranged interaction between monomer pairs (i,j)(i,j), proportional to (λi+λj)(\lambda_i+\lambda_j). In this article, we take λi=+1\lambda_i=+1 (resp. (λi=1\lambda_i=- 1)) for hydrophilic (resp. hydrophobic) monomers and consider a chain with (i) an equal number of hydro-philic and -phobic monomers (ii) a periodic distribution of the λi\lambda_{i} along the chain, with periodicity 2p2p. The simulations are done for various chain lengths NN, in d=2d=2 (square lattice) and d=3d=3 (cubic lattice). There is a critical value pc(d,N)p_c(d,N) of the periodicity, which distinguishes between different low temperature structures. For p>pcp >p_c, the ground state corresponds to a macroscopic phase separation between a dense hydrophobic core and hydrophilic loops. For p<pcp <p_c (but not too small), one gets a microscopic (finite scale) phase separation, and the ground state corresponds to a chain or network of hydrophobic droplets, coated by hydrophilic monomers. We restrict our study to two extreme cases, pO(N)p \sim O(N) and pO(1)p\sim O(1) to illustrate the physics of the various phase transitions. A tentative variational approach is also presented.

Keywords

Cite

@article{arxiv.cond-mat/9807080,
  title  = {Collapse transitions of a periodic hydrophilic hydrophobic chain},
  author = {E. Orlandini and T. Garel},
  journal= {arXiv preprint arXiv:cond-mat/9807080},
  year   = {2009}
}

Comments

21 pages, 17 eps figures, accepted for publication in Eur. Phys. J. B