Абстрактный

GIBBS ENSEMBLES MONTE CARLO SIMULATIONS OF PHASE EQUILIBRIA OF BINARY MIXTURES CONTAINING NITROGEN AND OXYGEN

Savan R. Patel

The NpT-Gibbs ensemble Monte Carlo computer simulation method is applied to predict the vapor-liquid equilibrium (VLE) behavior of binary system Nitrogen + Oxygen at 120 K. The Lennard-Jones potential is used to describe the interactions of Nitrogen and Oxygen mixture. The result show that the simulated values of densities of the pure components are within a few percent of corresponding experimental data. In addition, the simulated pressure composition diagram for a binary mixture of Nitrogen and Oxygen also shows satisfactory agreement with the experimental data.