On the estimation of water pure compound parameters in association theories

Publication: Research - peer-reviewJournal article – Annual report year: 2007

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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
Publication date2007
Volume105
Issue13-14
Pages1797-1801
ISSN0026-8976
DOIs
StatePublished
CitationsWeb of Science® Times Cited: 5
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