Fluid Phase Equilibria, Vol.357, 24-29, 2013
Measurement and correlation of vapor-liquid equilibria for alkane plus alkanol and alkane plus alkanediol systems with group contribution COSMOSPACE model
The infinite dilution activity coefficients were measured for alkanes (hexane, octane and decane) in alkanols (1-decanol, 1-dodecanol and 1-tetradecanol) and alkanes (hexane, octane and decane) in alkanediols (1,2-ethanediol and 1,3-propanediol) systems by a gas stripping method. A group contribution COSMOSPACE (conductor-like screening model surface-pair activity coefficient equation) model was proposed to calculate the activity coefficients of alkane + alkanol and alkane + alkanediol systems. The molecules are divided into three segments based on the electric charges of atoms. Segment OH is OH group. Segment CH2+ is CH2 adjacent to OH. Segment CH2 is the remaining alkyl group except segment CH2+. The Flory-Huggins term of a modified ASOG is used as the combinatorial term. The infinite dilution activity coefficients of 1-alkanols in alkanes, alkanes in 1-alkanols and alkanes in alkanediols are correlated well by using the group contribution COSMOSPACE model. The activity coefficients in finite concentration range for alkane + alkanol systems are also correlated with good accuracy. (C) 2013 Elsevier B.V. All rights reserved.