Molecular Dynamics Simulation of Argon and Argon–Water Systems

Abstract A molecular dynamics model is created for argon near the critical point. As temperature falls at a constant density less than critical, It established that drop of liquid forms in gas environment. This not spherical, but cylindrical. Liquid melting point (110 K, 1.513 g/cm 3 ) also modeled. The values Voronoi polyhedra volumes (VPVs) around atoms are calculated and their distribution plotted. VPV lie range 34–55 Å , with an average value 43.6 . Argon low tend to combine one another form branching clusters, as typical high values. Clusters formed by inserted into another. Issues related behavior argon–water systems considered.