WOLFRAM|DEMONSTRATIONS PROJECT

Liquid-Liquid Equilibrium for the 1-Butanol-Water System

​
tie line temperature (°C)
40
Consider the partially miscible binary mixture composed of
n
-butanol and water at 101.325 °C. The nonrandom two-liquid (NRTL) model developed by Renon and Prausnitz [1, 2] is adequate for determining liquid-liquid equilibrium (LLE) data. Since this mixture presents a heteroazeotrope with a boiling point of 93.49 °C, we consider only temperatures below this threshold value. The magenta-shaded region indicates where the validity of our simulation fails. Indeed, for
T>93.49
°C we have, in addition to the two liquid phases, a third vapor phase.
This Demonstration calculates the LLE curve as well as tie lines. The arc-length continuation technique is used to generate all data in a single calculation. In addition, for a user-specified value of the temperature, the compositions of the 1-butanol-rich phase and the 1-butanol-lean phase are displayed.
Our results are validated by benchmarking them with their counterparts obtained from the Aspen-HYSYS process simulator [3] and shown in the diagram by the black triangles.