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PSEQUAD

A Comprehensive Program for the Evaluation of Potentiometric and/or Spectrophotometric Equilibrium Data Using Analytical Derivatives

  • Chapter
Computational Methods for the Determination of Formation Constants

Part of the book series: Modern Inorganic Chemistry ((MICE))

Abstract

Potentiometry and spectrophotometry are the most frequently used experimental methods to study equilibrium systems in solutions; these methods may be used in many different types of experimental arrangements. The equilibrium system can be described through the mass-balance equations as

$$ {C_{1}} = \sum\limits_{{j = 1}}^{n} {{\alpha _{{jk}}}\left[ {{S_{j}}} \right] = \quad \sum\limits_{{j - 1}}^{n} {{\alpha _{{jk}}}{\beta _{j}}\prod\limits_{{i = 1}}^{k} {{{\left[ {{c_{i}}} \right]}^{{\alpha ji}}}} } } $$
((1))

where n is the number of species in the system, including the components; S j is the jth species present in the system; k is the number of components in the system; [c1] ... [c k ] is the equilibrium (free) concentration of the components; \( {\beta _j} = \left[ {{S_j}} \right]/\left( {\prod\nolimits_{i = 1}^k {{{\left[ {{c_i}} \right]}^{\alpha ji}}} } \right) \), the formation constant of the species, (the formation constants of the components are unity); α ji are stoichiometric numbers, giving the number of the ith component in the jth species.

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References

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© 1985 Plenum Press, New York

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Zekany, L., Nagypal, I. (1985). PSEQUAD. 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_8

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  • DOI: https://doi.org/10.1007/978-1-4684-4934-1_8

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4684-4936-5

  • Online ISBN: 978-1-4684-4934-1

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