PρT parameterization of SAFT equation of state: developing a new parameterization method for equations of state

Application of volume‐translated rescaled perturbed‐chain statistical associating fluid theory equation of state to pure compounds using an expansive experimental database

“…Furthermore, the VTR‐PC‐SAFT EOS can exactly reproduce the experimental critical temperature, experimental critical pressure, and experimental critical molar volume. In addition, some researchers present that the PC‐SAFT‐type EOSs could have a significantly different performance in reproducing thermophysical properties of non‐self‐associating and self‐associating compounds, respectively 26,39 . Taking the I‐PC‐SAFT EOS as an example, it appears to provide more accurate predictions for the thermodynamic properties of non‐self‐associating compounds than for self‐associating compounds 39 .…”

“…Taking hexane, neopentane, and 1,1,1-Trifluoroethane as examples, we can see from Table S1, Table S2, and Table S3 that respectively. 26,39 Taking the I-PC-SAFT EOS as an example, it appears to provide more accurate predictions for the thermodynamic properties of non-self-associating compounds than for self-associating compounds. 39 In this study, we evaluate the efficacy of the VTR-PC-SAFT in reproducing the thermophysical properties of both nonself-associating and self-associating compounds.…”

“…Beyond the crossover methods, the critical-point based re-parameterization approach presents a potential remedy for the inaccurate representations of phase behavior near the critical point. 15,[21][22][23][24][25][26][27] In the original PC-SAFT EOS, three pure-component parameters (m, σ, and ε/k B ) can be obtained by fitting liquid density and vapor pressure.…”

“…To address this issue, some researchers have sought to re-parameterize the three pure-component parameters required in PC-SAFT-type EOSs to ensure exact reproduction of the critical point. 13,15,[21][22][23][24][25][26][27][28][29][30] However, this method appears somewhat intrinsically inaccurate. While it can precisely reproduce the experimental critical temperature and critical pressure, it compromises the accurate prediction of other thermodynamic properties, both near and away from the critical region.…”

“…A notable limitation is that the original PC‐SAFT overestimates critical temperature and critical pressure, resulting in difficulties in accurately predicting critical properties such as saturated density near the critical point. To address this issue, some researchers have sought to re‐parameterize the three pure‐component parameters required in PC‐SAFT‐type EOSs to ensure exact reproduction of the critical point 13,15,21–30 . However, this method appears somewhat intrinsically inaccurate.…”