On the estimation of water pure compound parameters in association theories

Andreas Grenner, Georgios Kontogeorgis, Michael Locht Michelsen, Georgios Folas

Research output: Contribution to journalJournal articleResearchpeer-review


Determination of the appropriate number of association sites and estimation of parameters for association (SAFT-type) theories is not a trivial matter. Building further on a recently published manuscript by Clark et al., this work investigates aspects of the parameter estimation for water using two different association theories. Their performance for various properties as well as against the results presented earlier is demonstrated.
Original languageEnglish
JournalMolecular Physics
Issue number13-14
Pages (from-to)1797-1801
Publication statusPublished - 2007

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