A series expansion of the extended Debye-H�ckel equation and application to linear prediction of stability constants

Autor:	Guillermo Ramis-Ramos, J. J. Baeza Baeza
Rok vydání:	1996
Předmět:	Activity coefficient Series (mathematics) Chemistry Thermodynamics Linear prediction Analytical Chemistry symbols.namesake Ionic strength Computational chemistry Debye–Hückel equation Linear regression Physics::Atomic and Molecular Clusters symbols Series expansion Equilibrium constant
Zdroj:	Talanta. 43:1579-1587
ISSN:	0039-9140
DOI:	10.1016/0039-9140(96)01942-x
Popis:	The Debye-Hückel semiempirical extended equation is frequently used to calculate activity coefficients of chemical species and equilibrium constants at ionic strengths different from those used in their experimental evaluation. A series expansion of the extended Debye-Hückel equation is proposed here and checked with experimental data taken from the literature. The expansion is linear in the ionic parameters and yields a geometrical series which converges rapidly and that enables the accurate calculation of interpolated and extrapolated activity coefficients and equilibrium constants by simple and multiple linear regression without previous knowledge of the ionic parameters.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5fac001f4935312aeb1cbeec72914c9 https://doi.org/10.1016/0039-9140(96)01942-x Zobrazit plný text záznamu Full Text from ScienceDirect