Detecting Binary Solid-Phase Interactions in Ternary Ion-Exchange Data by Jacob Reynolds - Read Online
Detecting Binary Solid-Phase Interactions in Ternary Ion-Exchange Data
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Summary

Many modelers of ion-exchange thermodynamics have assumed that the selectivity of two ions within a ternary system could be modeled from data gained from the associated binary systems.  The heart of this assumption is that the third ion has no synergistic interactions with the other ions in the solid phase, but rather influences the exchange solely by diluting the concentration of other ions on the solid.  Here, a method to detect synergism between solid-phase ions is reported.  The method developed employs Log Contrast models and the statistical F Test.  The Log Contrast models use mole ratios rather than mole fractions as inputs because mole ratios are not subject to the mixture constraint.  The Log Contrast models are fit to Vanselow selectivity coefficient (Kv) versus solid-phase mole fraction data, with or without the third ion in the model (but with the third ion on the exchanger).  If the model fit is statistically significantly better with the third ion in the model than without it, then the third ion actively influence the selectivity of the two exchanging ions. The method was tested against NH4+-Ca2+-K+ exchange selectivity data for the clay mineral vermiculite.  The results showed that NH4+ had insignificant synergistic effect on the Kv for Ca2+-K+ exchange and that Ca2+ had insignificant effect on the Kv for K+/NH4+ exchange.  The model fits were found to be consistent with the Triangle Rule.

Published: The Monazite Group on
ISBN: 9781497714175
List price: $2.99
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Detecting Binary Solid-Phase Interactions in Ternary Ion-Exchange Data - Jacob Reynolds

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References

1  Preface for Methods in Modeling Ion-Exchange Selectivity, Volume I.

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The idea for this mini-book series hatched while developing software to model ion-exchange selectivity.  The traditional ways that ion-exchange equations are formulated are easy to derive from mole balance relationships, and thus provide an excellent introduction to ion-exchange modeling.  These models can readily be included in thermodynamic relationships to understand the underlying stability of exchangeable ions.  The vast majority of the applications of these equations have been to individual datasets.  There had been little documentation in the public literature of generic equations that could be coded into software and used on any dataset. 

In the process of coding ion-exchange into software, the traditional equations were found to be somewhat awkward to apply.  Similarly, the customary statistical methods that assume independence of factors cannot be applied to the traditional ion-exchange equations.  That assumption of factor independence is invalidated by the requirement that ion-fractions on the exchanger must sum to one. 

Early aqueous electrolyte thermodynamic models had many of these same problems when they were first incorporated into software in the 1960's.  Since then, many more efficient algorithms for representing aqueous electrolyte systems have been developed for software applications.  As was learned when developing ion-exchange modeling software, efficient algorithms have not yet been published for ion-exchange systems.. 

This mini-book series was developed to document several tricks-of-the-trade that are useful for formulating more mathematically efficient models of ion-exchange selectivity.  This mini ebook is the first in the series.  The book was greatly aided by manuscript reviews by John Vienna, Shas Mattigod, David Sherwood, and Karen Reynolds. 

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Jacob G. Reynolds

2  Summary

Many modelers of ion-exchange thermodynamics have assumed that the selectivity of two ions within a ternary system could be modeled from data gained from the associated binary systems.