MICROSCOPIC THEORETICAL DETERMINATION OF THE PHASE-DIAGRAM OF THE HARD-CORE YUKAWA FLUID

The binodal and the freezing line of the hard core Yukawa fluid (HCYF) are determined by using modified hypernetted chain (MHNC) theory and the so-called HMSA theory. The results are compared with available simulation data and density functional theory (DFT). Agreement with simulation is generally satisfactory and quantitative for the MHNC binodal line. Agreement with the DFT freezing line is also satisfactory. On the basis of these results an estimate is possible of the critical and triple point parameters of the HCYF. Possible extensions of the present approach to other simple model fluids are discussed.