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Mathematische Modellierung der Komplexbildung von Metallen und ihre Nutzung bei der Interpretation physikochemischer Prozesse in natürlichen Wässern

Mathematische Modellierung der Komplexbildung von Metallen und ihre Nutzung bei der... A mathematical model is presented for the calculation of the concentrations or activities of complex compounds in the thermodynamic equilibrium state. Ten central atoms and ten ligands which form 400 complexes at the most can be included in the model. Complex stability constants, total concentrations of the central atoms and ligands, temperature and pH‐value constitute input quantities. Activity and temperature dependence of the stability constants are covered by respective subprogrammes. The model is tested by the migration rate of iron(II) within a sand‐filled column with a cation‐exchange capacity of 1 mval/100 g solid matter: If there is an excess of sulphate, the iron(II)‐breakthrough will be considerably earlier, the same holding for the EDTA‐complex, whereas by means of EDTA the iron(II) bonded to the soil by ion exchange can be redissolved. In the batch experiment also the rate of oxidation of iron(II) is dependent on the degree of complexing. The model can be extended for dissolving, precipitation and redox processes. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta hydrochimica et hydrobiologica Wiley

Mathematische Modellierung der Komplexbildung von Metallen und ihre Nutzung bei der Interpretation physikochemischer Prozesse in natürlichen Wässern

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References (2)

Publisher
Wiley
Copyright
Copyright © 1984 Wiley Subscription Services, Inc., A Wiley Company
ISSN
0323-4320
eISSN
1521-401X
DOI
10.1002/aheh.19840120102
Publisher site
See Article on Publisher Site

Abstract

A mathematical model is presented for the calculation of the concentrations or activities of complex compounds in the thermodynamic equilibrium state. Ten central atoms and ten ligands which form 400 complexes at the most can be included in the model. Complex stability constants, total concentrations of the central atoms and ligands, temperature and pH‐value constitute input quantities. Activity and temperature dependence of the stability constants are covered by respective subprogrammes. The model is tested by the migration rate of iron(II) within a sand‐filled column with a cation‐exchange capacity of 1 mval/100 g solid matter: If there is an excess of sulphate, the iron(II)‐breakthrough will be considerably earlier, the same holding for the EDTA‐complex, whereas by means of EDTA the iron(II) bonded to the soil by ion exchange can be redissolved. In the batch experiment also the rate of oxidation of iron(II) is dependent on the degree of complexing. The model can be extended for dissolving, precipitation and redox processes.

Journal

Acta hydrochimica et hydrobiologicaWiley

Published: Jan 1, 1984

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