  We study and predict the interfacial tension, solubility parameters and
Flory-Huggins parameters of binary mixtures as functions of pressure and
temperature, using multiscale numerical simulation. A mesoscopic approach is
proposed for simulating the pressure dependence of the interfacial tension for
binary mixtures, at different temperatures, using classical Dissipative
Particle Dynamics (DPD). The thermodynamic properties of real systems are
reproduced via the parametrization of the repulsive interaction parameters as
functions of pressure and temperature via Molecular Dynamics simulations. Using
this methodology, we calculate and analyze the cohesive density energy and the
solubility parameters of different species obtaining excellent agreement with
reported experimental behavior. The pressure- and temperature-dependent
Flory-Huggins and repulsive DPD interaction parameters for binary mixtures are
also obtained and validated against experimental data. This multiscale
methodology offers the benefit of being applicable for any species and under
difficult or non-feasible experimental conditions, at a relatively low
computational cost.
