Abstract
The current study has aimed at developing an approach replacing the lists of the compound-specific molecular parameters attached to perturbed chain-statistical association fluid theory (PC-SAFT) by the entirely transparent and universal method for their derivation. The proposed approach requires limited data for the numerical solution of the PC-SAFT parameters, namely, the critical constants and the triple point liquid density. Its implementation has necessitated a careful re-evaluation of part of the PC-SAFT universal parameters matrix and some additional revisions. The resulting model appears to be virtually free of several undesired numerical pitfalls characteristic for PC-SAFT. The proposed equation of state (EoS) has been implemented for modeling data of nonpolar substances such as the light compounds, n-alkanes, and 1-alkenes and their mixtures. Using a large experimental database (more than 6000 points) it has been demonstrated that it exhibits remarkable precision in predicting the high-pressure l...
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