Thermodynamic properties of rod-like chains: entropic sampling simulations

Lucas S. Ferreira, Lucas N. Jorge, Alvaro A. Caparica, Denise A. do Nascimento, J. Ricardo de Sousa, Minos A. Neto

Published 2016-05-17Version 1

In this work we apply entropic sampling simulations to a three-state model which has exact solutions in the microcanonical and grand-canonical ensembles. We consider $N$ chains placed on an unidimensional lattice, such that each site may assume one of three-states: empty (state 1), with a single molecule energetically null (state 2), and with a single molecule with energy $\varepsilon$ (state 3). Each molecule, which we will treat here as dimers, consists of two monomers connected one to each other by a rod. The thermodynamic properties, such as internal energy, densities of dimers and specific heat were obtained as functions of temperature where the analytic results in the micro-canonical and grand-canonical ensembles were successfully confirmed by the entropic sampling simulations.