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Computer estimation of dissociation constants. Part V. Regression analysis of extended Debye-Hueckel law
Authors:Milan Meloun  Milan Javůrek  Jiří Militký
Affiliation:(1) Department of Analytical Chemistry, University of Chemical Technology, CS-532 10 Pardubice, Czechoslovakia;(2) Department of Textile Materials, Technical University, CS-461 17 Liberec, Czechoslovakia
Abstract:Nonlinear regression program DHMINOPT has been used for an analysis of a set of values expressing the dependence of mixed dissociation constant on ionic strength according to the extended Debye-Hueckel law. Efficiency of program has been examined on simulated data loaded with generated random errors. Goodness-of-fit brings various regression diagnostics enabling to prove a reliability of a regression process and parameter estimates. For five selected sulphonephtalein indicators, i.e. Bromocresol Green, Bromophenol Red, Bromocresol Purple, Bromothymol Blue and Phenol Red, the thermodynamic dissociation constant has been determined at 25°C together with the ion-size parameter and the salting-out coefficient.Previous Part IV.: Mikrochim. Acta1992,108, 227.
Keywords:dissociation constants  protonation equilibria  protonation constants  Debye-Hueckel law  ion-size parameter
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