Molecular dynamics simulation of the structure of water in a wide temperature range

Some properties of water were modeled by the method of molecular dynamics in the temperature range -50-130 degrees C. The calculations were performed for rigid models of water molecules of two types, namely, the SPC and SPC/E three-center models and the ST2 five-center model. Temperature effects on the microstructure of water and mobility of water molecules were considered. The applicability of the models to simulate the microstructure of water in a wide temperature range was estimated.