Phase equilibria and structure of inhomogeneous logarithmic fluids: an atomistic simulation study

Abstract

Monte Carlo and molecular dynamics simulations are applied to study the phase equilibria and structure of a fluid described by a logarithmic interparticle potential. The two-phase pure species phase envelope was generated for various values of the size term of the potential, and the critical point (the set of conditions at which both phases became indistinguishable) was estimated in each case. A monotonic relationship between both the reduced critical density and temperature and the size term was demonstrated. Molecular dynamics simulations were employed to study the influence of the thermodynamic conditions on the fluid structure, and three different fluid structures were elucidated.