Abstract

A model of fulvic acid based on randomized positioning of aromatic rings and functional groups was used to identify types of metal-binding sites and estimate their concentrations. The data from a well-characterized fulvic acid were employed in equilibrium calculations with the goal to determine the predominant binding sites for calcium(II), copper(II), iron(III), magnesium(II), manganese(II) and zinc(II) ions. These calculations indicate phthalate to be the most important site for zinc(II), manganese(II), magnesium(II) and calcium(II). Acetylacetonate appears to be the most important site for copper(II), and salicylate for iron(III). Phthalate ranks as the second most important site for copper(II). The affinity of fulvic acid for these metal ions decreases in the order copper > zinc > manganese > calcium > magnesium.

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