Industrial & Engineering Chemistry Research, Vol.45, No.25, 8449-8453, 2006
Robust and efficient solution procedures for association models
Equations of state that incorporate the Wertheim association expression are more difficult to apply than conventional pressure explicit equations, because the association term is implicit and requires solution for an internal set of composition variables. In this work, we analyze the convergence behavior of different solution methods and demonstrate how a simple and efficient, yet globally convergent, procedure for the solution of the equation of state can be formulated.