Computer estimation of dissociation constants. Part V. Regression analysis of extended Debye-Hueckel law |
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Authors: | Milan Meloun Milan Javůrek Jiří Militký |
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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 |
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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. |
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Keywords: | dissociation constants protonation equilibria protonation constants Debye-Hueckel law ion-size parameter |
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