Problem-related speciation analysis

Elements usually interact as constituents of macromolecules (proteins, enzymes, hormones, etc.) or according to their oxidation state. Thus, only problem-related speciation analysis promises to become a key for useful risk assessment of elements in the environment. Also activities such as diagnosis and therapy, as well as the depletion of trace elements, optimum levels of essential elements or toxicity of trace elements, will be estimated more reliably. 

Many chemical models have been developed over the years for problems solving chemical speciation. A comprehensive survey of many of the models and detailed analysis of computer modeling in relation to trace element speciation has been by made by Waite (1989), with particular reference to MINEQL, and by Lumsdon and Evans (2002), with particular reference to MITEQA2. Soil solution has significant amounts of DOM, which is poorly quantified and understood. The trace element speciation information obtained using computer modeling with data on complexation constants of metal—DOM complexes has to be substantiated with data on free metal ion species obtained from sophisticated physical techniques. 

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