Chemical equilibria in mixtures of bromine and chlorine

Abstract

A Monte Carlo method useful for reacting liquids in equilibrium is described. The approach is a modification of the grand canonical method that conserves the total number of molecules in the basic cell and is applicable at high densities. Results are given for thermodynamic properties and equilibrium constants of mixtures of bromine and chlorine over a range of temperatures and relative concentrations. There is good agreement with experimental data taken on the liquid-vapour coexistence curve.