The computational tools needed for simulation, design, and analysis of
azeotropic distillation operations are described. These tools include
simple methods to identify the existence of binary and ternary azeotr
opes and to classify ternary mixtures as homogeneous or heterogeneous.
The tools also include more complex methods to compute the phase diag
ram (or a heterogeneous liquid boiling surface), predict liquid-vapor
phase equilibrium, and/or predict liquid-liquid-vapor phase equilibriu
m for simulations of batch and continuous distillation column operatio
ns. Important new features of these tools are the incorporation of a f
ast and efficient method for test of phase stability in simulation of
distillation operations, the ability to handle a large range of mixtur
es (including mixtures with supercritical compounds), and the ability
for computations covering wide ranges of temperature and pressure. On
the basis of these tools, simple and consistent design algorithms are
developed. The applicability of the design algorithms is verified thro
ugh process simulation and analysis of the predicted behavior and data
from the open literature. Conditions are given for examples illustrat
ing (when and how possible distillation boundaries can be crossed) how
multiple steady states can be obtained. Finally, the effect of change
s in operating conditions on the dynamic behavior of the azeotropic di
stillation columns and the sensitivity of design to the prediction of
phase equilibria are presented.