Comparison of CP-PC-SAFT and PC-SAFT with k₁₂ = 0 and PPR78 in Predicting Binary Systems of Hydrocarbons with Squalane, n-dodecylbenzene, cis-decalin, Tetralin, and Naphthalene at High Pressures

Abstract

This study compares accuracies of PC-SAFT and its critical point-based revision (CP-PC-SAFT) with k 12 = 0 along with the predictive 1978 Peng−Robinson EoS (PPR78) in estimating the available high-pressure phase equilibria data in binary systems of methane, ethylene, ethane, propane, and n-hexane with heavy branched, alkylbenzoic, bicyclic aliphatic and aromatic substances represented by squalane, n-dodecylbenzene, cis-decalin, tetralin, and naphthalene. Predictions of the pure compound properties of the considered heavy substances are evaluated as well. It is found that some data were predicted more accurately by CP-PC-SAFT and othersby Peng− Robinson EoS and PPR78. At the same time, the overall performance of PC-SAFT in predicting these data is found inferior in comparison with two other considered approaches.

The impressive impact of including enthalpy and heat capacity of mixing data when parameterising equations of state. Application to the development of the E-PPR78 (Enhanced-Predictive-Peng-Robinson-78) model.

“…Moreover, as some mercaptans and alkenes were missing in Poling's book, the DIPPR database was chosen instead. As recently discussed by Chiko and Polishuk [34] ,…”

High-Pressure Phase Equilibria Measurements of the Carbon Dioxide + Cycloheptane Binary System

“…Initially, the PPR78 model was used to predict the experimental points. This model is today routinely employed and is fully described elsewhere. , Only most important points of the model are thus recalled below.…”