A preliminary assessment of the environmental exposure to be expected from the addition of a chemical to a simulated aquatic ecosystem

Abstract

A computer program, PEEC (Predicting Environmental Exposure Concentrations) has been written to allow early assessment of the maximum environmental concentration of a neutral organic chemical substance to be expected in a simple ecosystem. The program requires as a minimum data base, the aqueous solubility, the vapor pressure and molecular weight of the chemical. The data base allows generation of rate constants for characterizing the various movements of the chemical from water to soil to air to fish. Several chemicals were examined and rated as to their chronic environmental exposure to fish. The advantage of such an analysis is that it points the way to degradative reactions that need to be investigated in order to lower the levels of the chemical in the environment.