EFFECTIVE INTERMOLECULAR POTENTIAL-ENERGY FUNCTION - HYDROGEN-BONDED STRUCTURE OF WATER

The average effective pair potential energy function between two neigh bouring molecules has been computed from the centre structure factor d ata of water and this shows an unusual feature at short range due to s trong hydrogen bonding. The effective potential is highly temperature dependent and at elevated temperature it turns out to be approximately like that for simple liquids. The effective potential can be represen ted satisfactorily by the square well model.