Robust and efficient solution procedures for association models

Michael Locht Michelsen

Research output: Contribution to journalJournal articleResearchpeer-review


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.
Original languageEnglish
JournalIndustrial & Engineering Chemistry Research
Issue number25
Pages (from-to)8449-8453
Publication statusPublished - 2006


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