In the present work, we evaluate the efficacy of structure-based generalization of equation-of-state (EOS) binary interaction parameters. Specifically, we have developed Quantitative Structure Property Relationships (QSPR) models for the a priori predictions of the Peng-Robinson EOS binary interaction parameters. The QSPR generalized parameters provide reliable phase behavior predictions for the binary asymmetric mixtures involving methane, ethane, carbon dioxide, hydrogen, nitrogen and carbon monoxide in n-paraffins (C4- C44), cylcoparaffins, and aromatics.
Generalizations with absolute average deviation of 5% in bubble point pressure were obtained for the conformal exponent of the EOS interaction parameters using the QSPR methodology. In addition the nature of the solute – solvent interactions were clearly elucidated.