Origin and Fate of Organic Compounds in Water: Characterization by Compound-Specific Stable Isotope Analysis

Schmidt, Torsten; Jochmann, Maik A.

doi:10.1146/annurev-anchem-062011-143143

Cited by 67 publications

(64 citation statements)

References 98 publications

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“…To facilitate inter-sample comparison, the isotope ratio of a sample (R sample ) is expressed in the δ-notation, which is the relative difference of R sample from a standard ratio R standard 4510 S. R. Lutz et al: Potential use of CSIA in river monitoring (Schmidt and Jochmann, 2012):…”

Section: Simulation Of Isotope Fractionation Effectsmentioning

confidence: 99%

A model-based assessment of the potential use of compound-specific stable isotope analysis in river monitoring of diffuse pesticide pollution

Lutz

Meerveld

Waterloo

et al. 2013

Hydrol. Earth Syst. Sci.

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Abstract. Compound-specific stable isotope analysis (CSIA) has, in combination with model-assisted interpretation, proven to be a valuable approach to quantify the extent of organic contaminant degradation in groundwater systems. CSIA data may also provide insights into the origin and transformation of diffuse pollutants, such as pesticides and nitrate, at the catchment scale. While CSIA methods for pesticides have increasingly become available, they have not yet been deployed to interpret isotope data of pesticides in surface water. We applied a coupled subsurface-surface reactive transport model (HydroGeoSphere) at the hillslope scale to investigate the usefulness of CSIA in the assessment of pesticide degradation. We simulated the transport and transformation of a pesticide in a hypothetical but realistic twodimensional hillslope transect. The steady-state model results illustrate a strong increase of isotope ratios at the hillslope outlet, which resulted from degradation and long travel times through the hillslope during average hydrological conditions. In contrast, following an extreme rainfall event that induced overland flow, the simulated isotope ratios dropped to the values of soil water in the pesticide application area. These results suggest that CSIA can help to identify rainfallrunoff events that entail significant pesticide transport to the stream via surface runoff. Simulations with daily rainfall and evapotranspiration data and one pesticide application per year resulted in small seasonal variations of concentrations and isotope ratios at the hillslope outlet, which fell within the uncertainty range of current CSIA methods. This implies a good reliability of in-stream isotope data in the absence of transport via surface runoff or other fast transport routes, since the time of measurement appears to be of minor importance for the assessment of pesticide degradation. The analysis of simulated isotope ratios also allowed quantification of the contribution of two different reaction pathways (aerobic and anaerobic) to overall degradation, which gave further insight into the transport routes in the modelled system. The simulations supported the use of the commonly applied Rayleigh equation for the interpretation of CSIA data, since this led to an underestimation of the real extent of degradation of less than 12 % at the hillslope outlet. Overall, this study emphasizes the applicability and usefulness of CSIA in the assessment of diffuse river pollution, and represents a first step towards a theoretical framework for the interpretation of CSIA data in agricultural catchments.

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Section: Simulation Of Isotope Fractionation Effectsmentioning

confidence: 99%

A model-based assessment of the potential use of compound-specific stable isotope analysis in river monitoring of diffuse pesticide pollution

Lutz

Meerveld

Waterloo

et al. 2013

Hydrol. Earth Syst. Sci.

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“…The isotopic composition may change under the influence of contaminant transformation (i.e. isotope fractionation; Elsner, 2010;Schmidt and Jochmann, 2012). In contrast, non-destructive processes such as dispersion or sorption may lead to significant isotope fractionation effects only under specific conditions (Eckert et al, 2013;van Breukelen and Prommer, 2008;van Breukelen and Rolle, 2012).…”

mentioning

confidence: 99%

“…CSIA has been previously applied to study in situ degradation of organic groundwater contaminants (Blum et al, 2009;Elsner et al, 2012;Hunkeler et al, 2005;Schmidt and Jochmann, 2012;Wiegert et al, 2012;Zwank et al, 2005). In the context of diffuse agricultural pollution, CSIA has mainly been used to distinguish natural from anthropogenic nitrate sources and discern denitrification (Divers et al, 2014;Johannsen et al, 2008;Kellman and HillaireMarcel, 2003;Voss et al, 2006;Wexler et al, 2014).…”

mentioning

confidence: 99%

Pesticide fate on catchment scale: conceptual modelling of stream CSIA data

Lutz

Velde

Elsayed

et al. 2017

Hydrol. Earth Syst. Sci.

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Abstract. Compound-specific stable isotope analysis (CSIA) has proven beneficial in the characterization of contaminant degradation in groundwater, but it has never been used to assess pesticide transformation on catchment scale. This study presents concentration and carbon CSIA data of the herbicides S-metolachlor and acetochlor from three locations (plot, drain, and catchment outlets) in a 47 ha agricultural catchment (Bas-Rhin, France). Herbicide concentrations at the catchment outlet were highest (62 µg L −1 ) in response to an intense rainfall event following herbicide application. Increasing δ 13 C values of S-metolachlor and acetochlor by more than 2 ‰ during the study period indicated herbicide degradation. To assist the interpretation of these data, discharge, concentrations, and δ 13 C values of S-metolachlor were modelled with a conceptual mathematical model using the transport formulation by travel-time distributions. Testing of different model setups supported the assumption that degradation half-lives (DT50) increase with increasing soil depth, which can be straightforwardly implemented in conceptual models using travel-time distributions. Moreover, model calibration yielded an estimate of a field-integrated isotopic enrichment factor as opposed to laboratory-based assessments of enrichment factors in closed systems. Thirdly, the Rayleigh equation commonly applied in groundwater studies was tested by our model for its potential to quantify degradation on catchment scale. It provided conservative estimates on the extent of degradation as occurred in stream samples. However, largely exceeding the simulated degradation within the entire catchment, these estimates were not representative of overall degradation on catchment scale. The conceptual modelling approach thus enabled us to upscale sample-based CSIA information on degradation to the catchment scale. Overall, this study demonstrates the benefit of combining monitoring and conceptual modelling of concentration and CSIA data and advocates the use of traveltime distributions for assessing pesticide fate and transport on catchment scale.

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“…The application of new approaches for the correct identification of the polluter is necessary particularly in the presence of potential multiple sources/polluters, and especially at mega-sites such as industrial areas or petrochemical plants [4]. Also known as "source identification", "fingerprinting", or "source apportionment" (SA hereafter), this approach is also important for site-restoration applications [5][6][7][8][9]. Frequently after remediation actions (e.g., plume or source containment by physical or hydraulic barriers (HBs)), a downgradient contamination can still be detected [10], and often it is crucial to understand the reasons for the ongoing contamination.…”

Section: Introductionmentioning

confidence: 99%

“…Potentially, different polluters may be using (or storing) contaminants that may have a different initial isotopic composition for one or several elements characterizing the target molecule (carbon, chlorine or hydrogen in the case of chlorinated hydrocarbons). Different isotopic patterns generally aid in distinguishing between different contaminant plumes and eventually help to appoint plumes to their respective sources (SA) [5][6][7][8][9]13]. Furthermore, the use of CSIA enables the investigator to identify, and in some cases also quantify, natural attenuation processes such as biodegradation or abiotic reduction [14,15].…”

Section: Introductionmentioning

confidence: 99%

Compound-Specific Isotope Analysis (CSIA) Application for Source Apportionment and Natural Attenuation Assessment of Chlorinated Benzenes

Alberti

Marchesi

Trefiletti

et al. 2017

Water

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Abstract:In light of the complex management of chlorobenzene (CB) contaminated sites, at which a hydraulic barrier (HB) for plumes containment is emplaced, compound-specific stable isotope analysis (CSIA) has been applied for source apportionment, for investigating the relation between the upgradient and downgradient of the HB, and to target potential CB biodegradation processes. The isotope signature of all the components potentially involved in the degradation processes has been expressed using the concentration-weighted average δ 13 C of CBs + benzene (δ 13 C sum ). Upgradient of the HB, the average δ 13 C sum of −25.6‰ and −29.4‰ were measured for plumes within the eastern and western sectors, respectively. Similar values were observed for the potential sources, with δ 13 C sum values of −26.5‰ for contaminated soils and −29.8‰ for the processing water pipeline in the eastern and western sectors, respectively, allowing for apportioning of these potential sources to the respective contaminant plumes. For the downgradient of the HB, similar CB concentrations but enriched δ 13 C sum values between −24.5‰ and −25.9‰ were measured. Moreover, contaminated soils showed a similar δ 13 C sum signature of −24.5‰, thus suggesting that the plumes likely originate from past activities located in the downgradient of the HB. Within the industrial property, significant δ 13 C enrichments were measured for 1,2,4-trichlorobenzene (TCB), 1,2-dichlorobenzene (DCB), 1,3-DCB, and 1,4-DCBs, thus suggesting an important role for anaerobic biodegradation. Further degradation of monochlorobenzene (MCB) and benzene was also demonstrated. CSIA was confirmed to be an effective approach for site characterization, revealing the proper functioning of the HB and demonstrating the important role of natural attenuation processes in reducing the contamination upgradient of the HB.

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Origin and Fate of Organic Compounds in Water: Characterization by Compound-Specific Stable Isotope Analysis

Cited by 67 publications

References 98 publications

A model-based assessment of the potential use of compound-specific stable isotope analysis in river monitoring of diffuse pesticide pollution

A model-based assessment of the potential use of compound-specific stable isotope analysis in river monitoring of diffuse pesticide pollution

Pesticide fate on catchment scale: conceptual modelling of stream CSIA data

Compound-Specific Isotope Analysis (CSIA) Application for Source Apportionment and Natural Attenuation Assessment of Chlorinated Benzenes

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