Collapse transitions of a periodic hydrophilic hydrophobic chain

Details Collapse transitions of a periodic hydrophilic hydrophobic chain Collapse transitions of a periodic hydrophilic hydrophobic chain

1998-07-06

arxiv.org/abs/cond-mat/9807080v1

Physics

Condensed Matter

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

Scientific paper

10.1007/s100510050531

We study a single self avoiding hydrophilic hydrophobic polymer chain, through Monte Carlo lattice simulations. The affinity of monomer $i$ for water is characterized by a (scalar) charge $\lambda_{i}$, and the monomer-water interaction is short-ranged. Assuming incompressibility yields an effective short ranged interaction between monomer pairs $(i,j)$, proportional to $(\lambda_i+\lambda_j)$. In this article, we take $\lambda_i=+1$ (resp. ($\lambda_i=- 1$)) 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 $\lambda_{i}$ along the chain, with periodicity $2p$. The simulations are done for various chain lengths $N$, in $d=2$ (square lattice) and $d=3$ (cubic lattice). There is a critical value $p_c(d,N)$ of the periodicity, which distinguishes between different low temperature structures. For $p >p_c$, the ground state corresponds to a macroscopic phase separation between a dense hydrophobic core and hydrophilic loops. For $p

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