The structure of supercritical ammonia as studied by molecular dynamics simulations

The results of molecular dynamics simulations of supercritical ammonia are reported for the first time. Good agreement is found with results of neutron diffraction studies, thus far the only experimental evidence on the structure of supercritical ammonia. The partial radial distribution functions and the running integration numbers indicate that hydrogen bonding exists under supercritical conditions and seems to increase with decreasing density.