Polyamorphism and the evolution of intermediate-range order in molten ZnCl2

The pressure- and temperature-dependent properties of molten zinc chloride are investigated by means of molecular dynamics computer simulation. The potential model used is based on a pair potential augmented with a description of the (many-body) anion polarization. The static experimental and simulated structural properties are briefly reviewed. The structural properties obtained from the simulation model are compared with those obtained from experimental investigations and trends with the change in system pressure and temperature are discussed. Preliminary studies of the pressure behaviour of the simulated glassy states show the existence of low-and high-density amorphous states (LDA and HDA). The LDA/HDA coexistence line is established and its relationship to the underlying phase diagram is discussed.