Abstract
Bjerrum’s enbar (n̅) approach,(1) provided a useful tool in studying quantitatively the stepwise formation of mononuclear complexes, but this method failed if polynuclear, protonated, or hydrolyzed species were present. The use of electronic digital computers overcame this barrier: programs were developed in which formation constants were sought by minimizing the sums of squares of residuals in “analytical hydrogen ion concentrations.” The residual is the difference between the experimental value and the amount calculated from the pH and the concentrations of all species using computed constants. (a general discussion of least-squares calculations has been presented by Wentworth.(2))
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© 1985 Plenum Press, New York
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Perrin, D.D., Stunzi, H. (1985). SCOGS2. In: Leggett, D.J. (eds) Computational Methods for the Determination of Formation Constants. Modern Inorganic Chemistry. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-4934-1_4
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DOI: https://doi.org/10.1007/978-1-4684-4934-1_4
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