MONTE-CARLO SIMULATION OF AN ION DIPOLE MIXTURE - A CONVERGENCE STUDY

We demonstrate on a simple model of an ion-dipole mixture that the convergence of a Monte Carlo Simulation at low ionic concentration may be quite slow. For a one molar concentration 105 trial moves per particle are needed for a 864 particle System to obtain a precise estimate of both the ion-dipole and ion-ion energies and the static pair correlation functions. Our results show that recently published Monte Carlo results (1989, Molec. Phys., 66, 299) on a similar System are far from being converged and question the conclusion drawn in this publication on the failure of the reference hypernetted chain equation. © 1990 Taylor & Francis Group, LLC.