Application of GC-SAFT EOS to polycyclic aromatic hydrocarbons

The group contribution method for pure compound parameters proposed by Tamouza et al. [Tamouza, et al., Fluid Phase Equilibr., 222/223 (2004) 67–76] is extended for the calculation of vapor pressures and saturated liquid volumes of polyaromatic hydrocarbons (PAHs). It has been tested successfully using three versions of SAFT equation of state (EOS): PC-SAFT, VR-SAFT and the original SAFT-EOS slightly modified. An additional quadrupolar contribution to the EOS is found necessary here. thod is used for prediction of equilibrium properties of PAHs, including branched compounds and mixtures containing such components. In all three cases, similar and encouraging results are obtained. Reasonable computations are obtained on pure alkyl PAHs and on some mixtures that were not included in the regression database.