What Is the Optimal Activity Coefficient Model To Be Combined with the <i>translated</i>–<i>consistent</i> Peng–Robinson Equation of State through Advanced Mixing Rules? Cross-Comparison and Grading of the Wilson, UNIQUAC, and NRTL <i>a</i>^E Models against a Benchmark Database Involving 200 Binary Systems

The extension of the translated–consistent Peng–Robinson (tc-PR) equation state (EoS) to mixtures has been investigated. For this purpose, advanced EoS/aresE,γ mixing rules are used combine tc-PR EoS with residual part an activity coefficient model chosen among Wilson, nonrandom two-liquid (NRTL), and universal quasi-chemical (UNIQUAC) models. performances three resulting versions compared against a high-quality reference database containing binary system data, specifically selected for cross-comparison thermodynamic models assessment their accuracy. It is shown that best choice extend along use Wilson (aresE,Wilson). After grading, model, named “tc-PR-Wilson”, received mark 12.4/20. clear advantage over other investigated in study, which all have marks below 12/20. Observing some experimental data could not be calculated value (typically, when does predict right topology phase diagram such as, e.g., predicting heterogeneous azeotrope instead homogeneous one), new performance indicator (“success ratio”) was introduced as ratio number points can reproduce qualitatively behavior total data. success tc-PR-Wilson reaches 0.96; outperforms especially correlation liquid- gas-phase compositions, azeotropic points, three-phase pressures.