Error propagation in fugacity level-III models in the case of uncertain physicochemical compound properties

摘要

For a level-III fugacity model to predict the steady-state environmental distribution of chemicals on a regional scale the effect of erroneous physicochemical input data on the model output was studied using Monte Carlo simulations. Uncertainty analyses were performed for the octanol/water partition coefficient and Henry's law constant with assumed standard errors of 0.5 and 0.1 log units according to corresponding Gauss distributions, using phenol, pentachlorophenol, ethanol, acetone, and anthracene as model compounds.