화학공학소재연구정보센터
Industrial & Engineering Chemistry Research, Vol.42, No.21, 5383-5391, 2003
Modeling some alcohol/alkane binary systems using the SAFT equation of state with a semipredictive approach
An approach proposed in an earlier work for modeling n-alkane + n-alkane systems (Benzaghou, S.; Passarello, J. P.; Tobaly, P. Fluid Phase Equilib. 2001, 180, 1) is here extended to the VLE (vapor-liquid equilibrium; vapor pressure and liquid-phase molar volume) representation of n-alkane + 1-alcohol binary systems using the SAFT equation. The original approach was based on molecular assumptions that consider all n-alkanes to be composed of identical segments. These assumptions are here extended to the 1-alkanol chemical series. The thermodynamic representation of the chemical series of pure 1-alkanols thus requires only four adjustable parameters. The values of the corresponding parameters were determined by fitting the data of the series of light 1-alkanols (1-propanol to 1-octanol). The extrapolation capability of this method was then tested. The VLE thermodynamic properties of pure heavy 1-alcohols (up to 1-octadecanol) and 1-alcohol + n-alkane mixtures were predicted without any additional binary parameters. The model predicts the experimental data within a few percent.