Thermodynamic properties of rod-like chains: entropic sampling simulations
Abstract
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 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 (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.
Keywords
Cite
@article{arxiv.1605.05375,
title = {Thermodynamic properties of rod-like chains: entropic sampling simulations},
author = {Lucas S. Ferreira and Lucas N. Jorge and Alvaro A. Caparica and Denise A. do Nascimento and J. Ricardo de Sousa and Minos A. Neto},
journal= {arXiv preprint arXiv:1605.05375},
year = {2016}
}
Comments
This paper has 14 pages and 7 figures