Equation of state molecular parameters for a theory of pure r-mer fluids in the liquid phase

Costas, M. and Sanctuary, B.C., 1984. Equation of state molecular parameters for a theory of pure r-mer fluids in the liquid phase. Fluid Phase Equilibria, 18: 47–60.Equation of state parameters for a theory of pure r-mers (Costas and Sanctuary, 1981) are presented for sixty common substances. The equation of state is tested for its ability to reproduce and predict thermodynamic data in the liquid phase. The theory has only two adjustable parameters: ν^*, the close-packed volume of the r-mer, and ?^* = z?/2, where ? is the nonbonded mer-mer attractive interaction energy and z is the lattice coordination number, set to be a constant equal to 12. The number of r-mers per molecule, r, is also fixed for a given liquid to be equal to the number of atoms in the molecule other than hydrogen. The fitting proceduce is fast and simple. The adjustment only involves the use of widely available density data. Comparisons between experimental and calculated first- and second-order thermodynamic properties are shown for several substances. A comparison with the equation of state due to Jain and Simha (1981) for PVT data for n-dodecane is presented. The theory qualifies as a useful tool, especially in engineering applications, for estimating thermodynamic properties in the liquid phase.