Improved Monte Carlo simulations of the structure of ion-dipole mixtures

Abstract

Monte Carlo simulations of ion-diople mixtures are performed for a few state points for which results reported earlier were suspected to be unreliable. Some extended long runs are made with a larger cut-off radius to ensure well-equilibrated systems. Comparison with previous simulation data and theories is made. The results show that some data reoprted earlier are inaccurate and there is a beter agreement than supposed between the Monte Carlo simulations and restricted hypernetted-chain theory.