Trace metal speciation in natural waters : Computational vs. analytical

The reliability of determining the speciation of trace metals by analysis and computation is debated. The defects of the separate methods could be minimized by applying both to the estimation of speciation. The proposed approach would compare the results of analytical techniques with each other and with computed speciation; compare computed speciation with reliable measurements of solubility, potentiometry and mean activity coefficients; and compare different model calculations with each other for the same set of water analyses. These comparisons would delineate the useful range and limitations of the different approaches to speciation. One method could be evaluated if there were high quality data to support the results from a competing method. Until such a comparative approach was taken, trace metal speciation would remain uncertain and controversial. There are 47 references.