Development of a Structure-Activity Relationship for the Reduction of HalogenatedAromatic Hydrocarbons in Anaerobic Water-Sediment Systems. (May 1990)

摘要

The report deals with the results of a study on the degradation of halogenatedaromatic hydrocarbons in anoxic sediment-water systems. Quantitative Structure-Activity Relationships (QSARs) are developed relating the disappearance rate constants of halogenated aromatic hydrocarbons in anoxic sediments to readily available molecular descriptors. The correlations are based on disappearance rate constants for the reductive transformation of approximately 45 halogenated hydrocarbons. A batch method was used in which the compounds were incubated in a standard water-sediment system and periodically analyzed. Subsequently the pseudo-first order reaction rates were correlated to several molecular descriptors. The QSARs developed are well suited for use in models describing the fate of chemicals in the environment.