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A Convenient Hybrid Method for Obtaining Liquid–Liquid Equilibrium Data in Ternary Systems
journal contribution
posted on 2020-06-29, 10:29 authored by Radu C. Racoviţǎ, Adrian Victor Crişciu, Sergiu Sima, Catinca SecuianuLiquid–liquid equilibrium
data for ternary systems are scarce
in literature, although they are important both for industry and simulations.
Investigating ternary systems is usually costly and labor-intensive.
We propose a nontraditional approach to determine liquid–liquid
phase equilibrium in ternary systems. Our method generates tie line
equilibrium compositional data based on a hybrid method combining
traditional and noninvasive experimental procedures (cloud point titration
and refractometry) and modern-day computational methodology centered
on an-error-in-variables probability model. A series of Monte Carlo
simulations were also conducted based on this computational methodology
in order to estimate uncertainties in a mass balance numerical criterion
derived from the lever rule. The results yielded by the model were
validated by measuring four ternary systems containing acetonitrile,
ethyl acetate, water, chloroform, ethanol, trichloroethylene, cyclohexane,
and isooctane at atmospheric pressure and 294.15 K. The tie-lines
for chloroform (1) + water (2) + acetonitrile (3) and cyclohexane
(1) + ethyl acetate (2) + acetonitrile (3) are reported for the first
time.