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Aquifer vulnerability to pesticide pollution - Combining soil, land-use and aquifer properties with molecular descriptors

Journal of Hydrology

By:
and
DOI: 10.1016/j.jhydrol.2004.01.013

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Abstract

This study uses an extensive survey of herbicides in groundwater across the midwest United States to predict occurrences of a range of compounds across the region from a combination of their molecular properties and the properties of the catchment of a borehole. The study covers 100 boreholes and eight pesticides. For each of the boreholes its catchment the soil, land-use and aquifer properties were characterized. Discriminating boreholes where pollution occurred from those where no pollution occurred gave a model that was 74% correct with organic carbon content, percentage sand content and depth to the water table being significant properties of the borehole catchment. Molecular topological descriptors as well as Koc, solubility and half-life were used to characterize each compound included in the study. Inclusion of molecular properties makes it possible to discriminate between occurrence and non-occurrence of each compound in each well. The best-fit model combines: organic carbon content, percentage sand content and depth to the water table with molecular descriptors representing molecular size, molecular branching and functional group composition of the herbicides. ?? 2004 Elsevier B.V. All rights reserved.

Additional Publication Details

Publication type:
Article
Publication Subtype:
Journal Article
Title:
Aquifer vulnerability to pesticide pollution - Combining soil, land-use and aquifer properties with molecular descriptors
Series title:
Journal of Hydrology
DOI:
10.1016/j.jhydrol.2004.01.013
Volume
293
Issue:
1-4
Year Published:
2004
Language:
English
Larger Work Type:
Article
Larger Work Subtype:
Journal Article
Larger Work Title:
Journal of Hydrology
First page:
191
Last page:
204
Number of Pages:
14