Phase diagram of a bidispersed hard rod lattice gas in two dimensions

We obtain, using extensive Monte Carlo simulations, virial expansion and a high-density perturbation expansion about the fully packed monodispersed phase, the phase diagram of a system of bidispersed hard rods on a square lattice. We show numerically that when the length of the longer rods is $7$, two continuous transitions may exist as the density of the longer rods in increased, keeping the density of shorter rods fixed: first from a low-density isotropic phase to a nematic phase, and second from the nematic to a high-density isotropic phase. The difference between the critical densities of the two transitions decreases to zero at a critical density of the shorter rods such that the fully packed phase is disordered for any composition. When both the rod lengths are larger than $6$, we observe the existence of two transitions along the fully packed line as the composition is varied. Low-density virial expansion, truncated at second virial coefficient, reproduces features of the first transition. By developing a high-density perturbation expansion, we show that when one of the rods is long enough, there will be at least two isotropic-nematic transitions along the fully packed line as the composition is varied.Comment: 7 pages, 4 figure

Bethe approximation for a system of hard rigid rods: the random locally tree-like layered lattice

We study the Bethe approximation for a system of long rigid rods of fixed length k, with only excluded volume interaction. For large enough k, this system undergoes an isotropic-nematic phase transition as a function of density of the rods. The Bethe lattice, which is conventionally used to derive the self-consistent equations in the Bethe approximation, is not suitable for studying the hard-rods system, as it does not allow a dense packing of rods. We define a new lattice, called the random locally tree-like layered lattice, which allows a dense packing of rods, and for which the approximation is exact. We find that for a 4-coordinated lattice, k-mers with k>=4 undergo a continuous phase transition. For even coordination number q>=6, the transition exists only for k >= k_{min}(q), and is first order.Comment: 10 pages, 10 figure

Entropy of polydisperse chains: solution on the Bethe lattice

We consider the entropy of polydisperse chains placed on a lattice. In particular, we study a model for equilibrium polymerization, where the polydispersivity is determined by two activities, for internal and endpoint monomers of a chain. We solve the problem exactly on a Bethe lattice with arbitrary coordination number, obtaining an expression for the entropy as a function of the density of monomers and mean molecular weight of the chains. We compare this entropy with the one for the monodisperse case, and find that the excess of entropy due to polydispersivity is identical to the one obtained for the one-dimensional case. Finally, we obtain an exponential distribution of molecular weights.Comment: 5 pages, 2 figures. Reference place

Semi-flexible trimers on the square lattice in the full lattice limit

Trimers are chains formed by two lattice edges, and therefore three monomers. We consider trimers placed on the square lattice, the edges belonging to the same trimer are either colinear, forming a straight rod with unitary statistical weight, or perpendicular, a statistical weight $\omega$ being associated to these angular trimers. The thermodynamic properties of this model are studied in the full lattice limit, where all lattice sites are occupied by monomers belonging to trimers. In particular, we use transfer matrix techniques to estimate the entropy of the system as a function of $\omega$. The entropy $s(\omega)$ is a maximum at $\omega=1$ and our results are compared to earlier studies in the literature for straight trimers ($\omega=0$), angular trimers ($\omega \to \infty$) and for mixtures of equiprobable straight and angular trimers ($\omega=1$).Comment: 6 pages, 4 figure

Entropy of chains placed on the square lattice

We obtain the entropy of flexible linear chains composed of M monomers placed on the square lattice using a transfer matrix approach. An excluded volume interaction is included by considering the chains to be self-and mutually avoiding, and a fraction rho of the sites are occupied by monomers. We solve the problem exactly on stripes of increasing width m and then extrapolate our results to the two-dimensional limit to infinity using finite-size scaling. The extrapolated results for several finite values of M and in the polymer limit M to infinity for the cases where all lattice sites are occupied (rho=1) and for the partially filled case rho<1 are compared with earlier results. These results are exact for dimers (M=2) and full occupation (\rho=1) and derived from series expansions, mean-field like approximations, and transfer matrix calculations for some other cases. For small values of M, as well as for the polymer limit M to infinity, rather precise estimates of the entropy are obtained.Comment: 6 pages, 7 figure

Potential of mean force and the charge reversal of rodlike polyions

A simple model is presented to calculate the potential of mean force between a polyion and a multivalent counterion inside a polyelectrolite solution. We find that under certain conditions the electrostatic interactions can lead to a strong attraction between the polyions and the multivalent counterions, favoring formation of overcharged polyion-counterion complexes. It is found that small concentrations of salt enhance the overcharging, while an excessive amount of salt hinders the charge reversal. The kinetic limitations to overcharging are also examined.Comment: To be published in the special issue of Molecular Physics in honor of Prof. Ben Wido

Polymers with attractive interactions on the Husimi tree

We obtain the solution of models of self-avoiding walks with attractive interactions on Husimi lattices built with squares. Two attractive interactions are considered: between monomers on first-neighbor sites and not consecutive along a walk and between bonds located on opposite edges of elementary squares. For coordination numbers q>4, two phases, one polymerized the other non-polymerized, are present in the phase diagram. For small values of the attractive interaction the transition between those phases is continuous, but for higher values a first-order transition is found. Both regimes are separated by a tricritical point. For q=4 a richer phase diagram is found, with an additional (dense) polymerized phase, which is stable for for sufficiently strong interactions between bonds. The phase diagram of the model in the three-dimensional parameter space displays surfaces of continuous and discontinuous phase transitions and lines of tricritical points, critical endpoints and triple points.Comment: 7 pages, 6 figure