Estimation of hydroxyl raoical reaction rate constants for orgenic chemicals in water

摘要

Two methos are developed for estimating the hudroxyl radical reaction rate consants for organic chemicals reacting by hydrogen abstraction in water. First, a correlation behtween reaction reates in water and air is developed. This correlation is enhanced by consideration of the effects of chemical polarity and molecular volume. Second, a fragement constant equation is developed based upon that of Atkinson (1986) for similar reactions in air. This equation can be used to estimate reaction reates directly from molecular structure.