Reducing the amount of PCP-SAFT fitting parameters. 1. Non-polar and dipolar components

The pure-component parameters of the Perturbed Chain Polar-Statistical Associating Fluid Theory (PCP-SAFT) equation of state are usually fitted to experimental data over broad temperature ranges. In this work, PCP-SAFT parameter correlations with molar mass were developed for five homologous series of non-polar and three homologous series of dipolar substances. The correlations were identified by using parameters of at least three components within the respective series. Applying these correlations for interpolations as well as for extrapolations within a homologous series, one experimental vapor–pressure point is sufficient for the parameter estimation of the related components. Use of the obtained parameters allows for reliable modeling of pure-component properties as well as of binary phase equilibria.

► Experimental effort estimating PCP-SAFT parameters reduced to one data point.
► Molar-mass correlations for pure-component parameters of 8 homologous series.
► Correlations of the size parameters m and mσ3 based on at least three components.
► Reliable inter- and extrapolated parameters for pure-component and binary modeling.
► Number of fitting parameters for non-polar and dipolar components reduced to one.