AB-INITIO MONTE-CARLO-STUDIES OF CONCENTRATED AQUEOUS CESIUM HYDROXIDE-SOLUTIONS

Ab initio Monte Carlo simulations of concentrated aqueous cesium hydroxide solutions are reported. This method of structure modelling that requires no intermolecular interaction potential as input was applied to ionic solutions for the first time. The comparison of the resulting atom pair correlation functions with those of pure liquid water indicated a disordered arrangement of the water molecules. The influence of the structure breaking cesium ions seems to prevent an orientation of the water molecules acorrding to the pure water structure even in the dilutest solution.