Estimating the liquid properties of 1-alkanols from C5 to C12 by FT-EoS and CP-PC-SAFT: Simplicity versus complexity

The group contribution method (GC) versus the critical point-based approach (CP): Predicting thermodynamic properties of weakly- and non-associated oxygenated compounds by GC-PPC-SAFT and CP-PC-SAFT

“…The experimental data on the 1-alkanols heavier than 1-Propanol [54][55][56][57][58][59][60][61][62][63][64][65][66][67][68][69] have been discussed in the previous study [50]. Since its publication, another important reference [70] reporting various data of 1-Butanol has become available.…”

“…This model implements a standardized numerical solution of the substance-dependent parameters at the characteristic states, namely the pure compound critical and triple points. Thus far CP-PC-SAFT has been implemented for predicting various thermodynamic properties of light compounds, n-alkanes, 1-alkenes [49], 1-alkanols [50], aromatic and haloaromatic compounds [51], some haloalkanes [52,53] and their mixtures in wide range of conditions.…”

High-pressure phase equilibrium in the {carbon dioxide (1) + 1-chloropropane (2)} binary system

“…The detailed explanations of the models considered in this study are available in the literature [28][29][30][31][32][33] and here we provide only their brief overviews.…”

“…As an alternative, it has been recently proposed [30][31][32] to apply PC-SAFT analogously to cubic EoS models, namely by solving Tables 3 lists pertinent input pure component data for CO 2 and 1-chloroproapane as taken over from the DIPPR database [39] and Table 4 lists the calculated values of pure compound parameters for both the SBWR and CP-PC-SAFT EoS models.…”

“…Following the principle noted for the choice of models, in the current study we then aim at comparing four predictive approaches representing four different types of models of various degrees of complexity, namely the PR EoS [28], the SBWR EoS [29], the CP-PC-SAFT EoS [30][31][32], and the COSMO-RS model [33].…”