Abstract
A cellular automata model of polyelectrolytes is studied using NetLogo, a multi-agent modelling environment based on the Java virtual machine. NetLogo allows easy construction of cellular automata models, is free to use and has a detailed documentation and examples library. In order to illustrate the working principles of NetLogo, we study polyelectrolyte conformations in a liquid salt solution using the so called cluster entropy S_C as an order parameter. Our results predict the correct evolution of polyelectrolyte conformations, from collapsed clustered structures, at low charge/high salt concentration conditions, to elongated chains, at high charge/low salt concentration, as had been reported in the literature. In both of these situations the cluster entropy is approximately zero S_C ≈ 0. In intermediate charge and salt concentration conditions the well-known pearl necklace structure is observed, in this case the values of S_{C} reach a maximum. The use of NetLogo modelling environment along the cluster entropy concept, permits quick and objective descriptions of the spatial properties of polyelectrolytes.
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