Equation of State Associated with Activity Coefficient Model Based on Elements and Chemical Bonds.

Li, Xinyu; Niu, Baowei; Ma, Wenjiao; Zhao, Wenying; Sun, Xiaoyan; Xia, Li; Xiang, Shuguang

A new element- and chemical bond-dependent GE-EoS model(SRK-UNICAC) is proposed to consider the deviation of the vapor and liquid phases from the ideal state. The SRK-UNICAC model combines the UNICAC model and the SRK cubic equation of state. It uses the original interaction parameters of the UNICAC model and uses this model to calculate the GE. The SRK-UNICAC model predicted vapor-liquid equilibria for 87 binary systems under low- and medium-pressure conditions, 12 binary systems under high-pressure conditions, and 14 ternary systems; a comparison of the predictions with five other activity coefficient models were also made. The new model predicted the vapor-phase fraction and bubble-point pressure, and temperature for the binary system at high pressure, with a mean relative error of 3.75% and 6.58%, respectively. The mean relative errors of vapor-phase fraction and bubble-point temperature or bubble-point pressure for ternary vapor–liquid phase equilibrium were 6.50%, 4.76%, and 2.25%. The SRK-UNICAC model is more accurate in predicting the vapor–liquid phase equilibrium of high-pressure, non-polar, and polar mixtures and has a simpler and wider range of prediction processes. It can therefore be applied to the prediction of vapor–liquid equilibrium.

VAPOR-liquid equilibrium; CHEMICAL bonds; PHASE equilibrium; ACTIVITY coefficients; CHEMICAL elements; CUBIC equations; EQUATIONS of state; TERNARY system

Processes, 2023, Vol 11, Issue 5, p1499

2227-9717

Academic Journal

10.3390/pr11051499