Computer modelling of liquids salts RbBr, CuCl, CuBr, CuI and AgBr

Computer models of liquid ionic systems RbBr, CuCl, CuBr, CuI and AgBr containing 498 ions in the basic cube were constructed using experimental diffraction data. Modelling was conducted using algorithm BELION with varying ionic charges. Calculated atomisation energies were close to experimental data when charges were ±1.00 for RbBr, ±1.15 for AgBr, ±1.20 for CuCl, ±1.48 for CuBr, and ±1.37 for CuI. Partial pair correlation functions of models agree well with experimental data.