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Estimating pathway-specific contributions to biodegradation in aquifers based on dual isotope analysis: Theoretical analysis and reactive transport simulations

At field sites with varying redox conditions, different redox-specific microbial degradation pathways contribute to total contaminant degradation. The identification of pathway-specific contributions to total contaminant removal is of high practical relevance, yet difficult to achieve with current methods. Current stable-isotope-fractionation-based techniques focus on the identification of dominant biodegradation pathways under constant environmental conditions. We present an approach based on dual stable isotope data to estimate the individual contributions of two redox-specific pathways. We apply this approach to carbon and hydrogen isotope data obtained from reactive transport simulations of an organic contaminant plume in a two-dimensional aquifer cross section to test the applicability of the method. To take aspects typically encountered at field sites into account, additional simulations addressed the effects of transverse mixing, diffusion-induced stable-isotope fractionation, heterogeneities in the flow field, and mixing in sampling wells on isotope-based estimates for aerobic and anaerobic pathway contributions to total contaminant biodegradation. Results confirm the general applicability of the presented estimation method which is most accurate along the plume core and less accurate towards the fringe where flow paths receive contaminant mass and associated isotope signatures from the core by transverse dispersion. The presented method complements the stable-isotope-fractionation-based analysis toolbox. At field sites with varying redox conditions, it provides a means to identify the relative importance of individual, redox-specific degradation pathways.

Extending theis' solution: Using transient pumping tests to estimate parameters of aquifer heterogeneity

A framework for interpreting transient pumping tests in heterogeneous transmissivity fields is developed to infer the overall geostatistical parameters of the medium without reconstructing the specific heterogeneous structure point wise. The methodology of Radial Coarse Graining is applied to deduce an effective radial description of multi-Gaussian transmissivity. It was used to derive an Effective Well Flow Solution for transient flow conditions including not only the storativity, but also the geometric mean, the variance, and the correlation length of log-transmissivity. This solution is shown to be appropriate to characterize the pumping test drawdown behavior in heterogeneous transmissivity fields making use of ensembles of simulated pumping tests with multiple combinations of statistical parameters. Based on the Effective Well Flow Solution, a method is developed for inferring heterogeneity parameters from transient pumping test drawdown data by inverse estimation. Thereby, the impact of statistical parameters on the drawdown is analyzed, allowing to determine the dependence of reliability of parameter estimates on location and number of measurements. It is shown, that the number of measurements can be reduced compared to steady state pumping tests. Finally, a sampling strategy for single aquifer analysis is developed, which allows to estimate the statistical parameters, in particular variance and correlation length for individual heterogeneous transmissivity fields making use of transient pumping test measurements at multiple locations. This article is protected by copyright. All rights reserved.