Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

ABSTRACT

New sub-atmospheric vapor-liquid-equilibrium (VLE) data for five binary 1-alcohol + n-alkane systems are presented. An all glass dynamic recirculating still was used to measure the phase behavior of the 1-pentanol + n-nonane, 1-hexanol + n-decane, 1-heptanol + n-undecane, 1-octanol + n-dodecane and 1-decanol + n-tetradecane systems at 40 kPa. Each of the five systems displayed an azeotrope, indicating complex molecular interactions. Thermodynamic modelling was conducted with (1) the NRTL activity coefficient model, (2) the predictive Soave-Redlich-Kwong (PSRK) group contribution equation of state (EoS) with original UNIFAC model parameters and (3) PSRK with newly regressed NRTL parameters. The models, in order of decreasing performance, were NRTL greater than PSRK (with UNIFAC) greater than PSRK (with NRTL). Therefore, the PSRK with UNIFAC parameters GE-EoS investigated in this paper showed that accurate 1-alcohol + n-alkane VLE data can be predicted without the need to first measure experimental data.