Collapse transition in polymer models with multiple monomers per site and multiple bonds per edge

TL;DR

This study uses Monte Carlo simulations to analyze polymer models with multiple monomers per site and bonds per edge, revealing continuous collapse transitions and phase diagrams with coil and globule phases.

Contribution

It provides the first comprehensive analysis of MMS polymer models on square and cubic lattices, showing continuous collapse transitions and clarifying the nature of the phase diagrams.

Findings

In three dimensions, coil and globule phases are separated by a line of Θ points.

No discontinuous collapse transition is observed in these models.

In two dimensions, only a crossover between coil and globule phases occurs.

Abstract

We present results from extensive Monte Carlo simulations of polymer models where each lattice site can be visited by up to $K$ monomers and no restriction is imposed on the number of bonds on each lattice edge. These \textit{multiple monomer per site} (MMS) models are investigated on the square and cubic lattices, for $K=2$ and $K=3$, by associating Boltzmann weights $\omega_0=1$, $\omega_1=e^{\beta_1}$ and $\omega_2=e^{\beta_2}$ to sites visited by 1, 2 and 3 monomers, respectively. Two versions of the MMS models are considered for which immediate reversals of the walks are allowed (RA) or forbidden (RF). In contrast to previous simulations of these models, we find the same thermodynamic behavior for both RA and RF versions. In three-dimensions, the phase diagrams - in space $\beta_2 \times \beta_1$ - are featured by coil and globule phases separated by a line of $\Theta$ points, as thoroughly demonstrated by the metric $\nu_t$, crossover $\phi_t$ and entropic $\gamma_t$ exponents. The existence of the $\Theta$-lines is also confirmed by the second virial coefficient. This shows that no discontinuous collapse transition exists in these models, in contrast to previous claims based on a weak bimodality observed in some distributions, which indeed exists in a narrow region very close to the $\Theta$-line when $\beta_1 < 0$. Interestingly, in two-dimensions, only a crossover is found between the coil and globule phases.