On the estimation of water pure compound parameters in association theories

Autor:	Georgios Folas, Andreas Grenner, Michael Locht Michelsen, Georgios M. Kontogeorgis
Rok vydání:	2007
Předmět:	Estimation Chemistry Estimation theory Association (object-oriented programming) Biophysics Applied mathematics Physical and Theoretical Chemistry Condensed Matter Physics Molecular Biology
Zdroj:	Molecular Physics. 105:1797-1801
ISSN:	1362-3028 0026-8976
DOI:	10.1080/00268970701416597
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::352da555da3665dd27436e6f46ff96b1 https://doi.org/10.1080/00268970701416597 Zobrazit plný text záznamu