Industrial & Engineering Chemistry Research, Vol.45, No.17, 6056-6062, 2006
Efficient solution of the association term equations in the statistical associating fluid theory equation of state
This paper proposes a hybrid successive substitution/modified Newton method for the solution of the nonlinear equations describing association effects in the SAFT equation of state. Extensive computational experiments are reported to show that the proposed method performs efficiently and reliably over wide ranges of conditions for multicomponent systems involving up to 57 distinct types of association sites.