Transport, thermodynamic, and structural properties of fluid ammonia using a new intermolecular potential: The inversion method and molecular dynamics simulation

► A new pair-potential function of ammonia has been determined via the inversion method. ► The potential reproduces transport properties in a good accordance with experiment. ► A simple three-body potential also used to improve the prediction of pressure results. ► MD simulation also performed to obtain pressure, diffusion, and g(r) of fluid ammonia.