Modelling LLE and VLE of methanol + n-alkane series using GC-PC-SAFT with a group contribution kij

The fluid phase diagrams (LLE and VLE) of methanol + n-alkane mixtures series (from C₄ up to C₁₆) were modelled using GC-PC-SAFT EOS (Tamouza et al., Fluid Phase Equilibria 222–223 (2004) 67–76) combined with a recent method for computing k_ij based on the London theory (NguyenHuynh et al., Industrial & Engineering Chemistry Research 47 (2008) 8847–8858). This latter method requires pure compound adjustable parameters: pseudo-ionization energies J that may be calculated by group contribution in the case of n-alkane series. J_alkane is calculated from group parameters JCH₃$J_{\text{C}{\text{H}}_3}$ and JCH₂$J_{\text{C}{\text{H}}_2}$.