The focus of this investigation into difficulties associated with the simulation of a commercial
deethyleniser is on the use of K-value data models based on equations of state as provided in
PRO/II (Simulation Sciences, Inc.). For various K-value data-model definitions, the value of the
temperature-independent form of the binary interaction coefficient, k
ij
= α
ij
, of the dominant
ethylene/ethane binary has been varied. All other thermodynamic data-model definitions were
kept the same. The values of the optimized average equilibrium tray efficiency parameter,
,
can vary markedly with the choice of the K-value data model and the k
ij
values used and ranged
from about 0.84 to about 1.01. The associated minimum total error objective function values
are, however, remarkably similar, leading to the concept of “Equivalent” simulation models.
For all three equation of state K-value data models examined, a quadratic relation was found
to exist between a defined k
ij
and the corresponding optimized average equilibrium tray efficiency.