In this paper, a detailed guide for the application of computational electrochemistry is presented. The basic framework of the electrochemical models and their computational solutions are described. We highlighted that the availability of commercial software allows application of the technique by experimentalists with minimal mathematical and computational expertise. The most used packages are indicated. Simulations of typical examples are presented and some references cited to illustrate the wide applicability of computational electrochemistry.

Trace metal content of three fish species harvested from a tank located in the City of Guarapuava-PR, Brazil were determined by digestion and voltametry. Trace metal content in fish samples were 0.10-1.30 µg/g (muscle) and 0.45-15.90 µg/g (liver) for chromium, 0.35-2.56 µg/g (muscle) and 2.32-34.30 µg/g (liver) for lead. The levels of lead and chromium in fish samples were higher than the recommended legal limits for human consumption. To assess the dietary intake of Cr and Pb by fish, weekly intake was calculated based on average metals contents and weekly consumption of fish and it compared with PTWI (Provisional Tolerable Weekly Intake). The Cr and Pb have achieved up to 25 and 45%, respectively, of PTWI recommended by WHO/FAO.