Reliable chemical degradation tools for modeling kinetic pathways are imperative to conducting accurate human health and environmental risk assessments. While the EU FOCUS organization has extensive guidance for conducting the analysis and software tools have been developed in many iterations (CAKE, KinGUII, Model Maker, etc), the USEPA has not formally released tools or guidance for pathway modeling. In 2020, the USEPA included a kinetics software tool, Deg Kinetics v 2.8.2, for kinetic evaluation of chemical degradation data for applications in drinking water assessments with several evaluations. This Excel based solver serves as a useful tool for modeling single first order chemical pathways and evaluation of degradation within the pathway as an input into the typical exposure models used by USEPA, PMRA, and state agencies. This presentation will utilize the Deg Kinetics v 2.8.2 tool in the context of real-world application of the tool as a comparison of its setup, inputs, and parameter selection to that of other FOCUS typical kinetics tools. Finally, this presentation will provide an overview of methods for combining data from multiple datasets as inputs into the model framework – specifically regarding considerations with rapidly degrading parent to daughter and granddaughter compounds and the impact on model predictions.

Overview of the chemical degradation kinetics pathway tool and practical considerations for its application for model inputs

ACS Fall 2021

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