MONTE-CARLO SIMULATION OF SOME THERMODYNAMICAL PROPERTIES OF MOLECULAR FLUIDS ALONG THE VAPOR-LIQUID-EQUILIBRIUM CURVE

Using the 2-centre Lennard-Jones potential as the model, some thermody namical properties of nitrogen, ethane investigated along their vapour -liquid equilibrium curves. The results were obtained via computer sim ulation, by the use of the Extended NPT + test particle method. It was shown that this method is capable of the simulation of such propertie s as the isobaric and saturation heat capacities. We determined (first time by simulation) the vapour-liquid equilibrium of the 2CLJ-fluid w ith elongation L=0.74, and new model parameters were fitted for ethyl ene.