MOBILITY OF STRETCHED WATER

To study the mobility of stretched SPC/E water and its dependence on t emperature and density, five molecular dynamics computer simulation ru ns were performed. Three runs were performed at temperature 300 K and densities 1.0, 0.9, and 0.8 g/cc. Two more runs were performed at temp erature 273 K and densities 1.0 and 0.9 g/cc. At temperature 300 K, th e translational diffusion coefficient of the stretched SPC/E water inc reased with the stretch, at temperature 273 K the translational diffus ion decreased with the stretch. This behavior is correlated with the o bserved changes in the hydrogen bonding pattern of water.