Hydrocarbons to Carboxyl-Rich Alicyclic Molecules: A Continuum Model to Describe Biodegradation of Petroleum-Derived Dissolved Organic Matter in Contaminated Groundwater Plumes

Author(s)
D. C. Podgorski # , P. Zito , A. M. Kellerman , B. A. Bekins # , I. M. Cozzarelli , D. F. Smith , Xiaoyan Cao , Klaus Schmidt-Rohr , S. Wagmer , A. Stubbins and R. G. M. Spencer
Publisher
J. Hazard. Mater.
Year
2020
Volume
402
Pages
123998
DOI
https://doi.org/10.1016/j.jhazmat.2020.123998

Abstract

Relationships between dissolved organic matter (DOM) reactivity and chemical composition in a groundwater plume containing petroleum-derived DOM (DOMHC) were examined by quantitative and qualitative measurements to determine the source and chemical composition of the compounds that persist downgradient. Samples were collected from a transect down the core of the plume in the direction of groundwater flow. An exponential decrease in dissolved organic carbon concentration resulting from biodegradation along the transect correlated with a continuous shift in fluorescent DOMHC from shorter to longer wavelengths. Moreover, ultrahigh resolution mass spectrometry showed a shift from low molecular weight (MW) aliphatic, reduced compounds to high MW, unsaturated (alicyclic/aromatic), high oxygen compounds that are consistent with carboxyl-rich alicyclic molecules. The degree of condensed aromaticity increased downgradient, indicating that compounds with larger, conjugated aromatic core structures were less susceptible to biodegradation. Nuclear magnetic resonance spectroscopy showed a decrease in alkyl (particularly methyl) and an increase in aromatic/olefinic structural motifs. Collectively, data obtained from the combination of these complementary analytical techniques indicated that changes in the DOMHC composition of a groundwater plume are gradual, as relatively low molecular weight (MW), reduced, aliphatic compounds from the oil source were selectively degraded and high MW, alicyclic/aromatic, oxidized compounds persisted.