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An improved computer model of struvite solution chemistry

Wrigley, T.J., Scott, W.D. and Webb, K.M. (1992) An improved computer model of struvite solution chemistry. Talanta, 39 (12). pp. 1597-1603.

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The computer model of the solution chemistry of struvite has been improved. Firstly, with ammonia as the prime calculation point in the liquid phase, the algorithm is smaller and faster. Secondly, the incorporation of distilled magnesium hydrogen phosphate in the model significantly increased the concentrations in solution. Thirdly, estimates of the activity coefficients are included. These improvements have but a marginal (5–10%) improvement in the fit. However, proceeding with this flexible modelling procedure using the symbolic manipulator, Maple, easily allows the inclusion of all possible species. The addition of associated ammonium phosphates improves the fit. The relative standard deviation of the fit of both Taylor's data and the data of Webb is improved from 0.5 to 0.2. Estimates of the association constants are included.

Publication Type: Journal Article
Murdoch Affiliation: School of Biological and Environmental Sciences
Publisher: Elsevier BV
Copyright: © 1992 Published by Elsevier B.V.
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