Reactive transport model for bentonites in COMSOL multiphysics: Benchmark and validation exercise.

At present, the deep geological repository concept for spent nuclear fuel is considered the most reliable and safe technique for the permanent disposal of this type of waste. One of the many safety elements used is an engineered barrier made of compacted bentonite. This material allows the encapsulated waste to be isolated from the host rock. Therefore, there is great interest in a detailed study of the behavior of bentonites to different changes in the composition of the surrounding groundwater. In this context, this work presents a new reactive transport model for bentonites implemented in the COMSOL Multiphysics platform. The model contemplates a non-simplistic geochemical system composed of 42 species and 4 minerals. Reactive transport involves the diffusive-dispersive-advective processes defined by the Nernst Planck equations for two overlapping modeling levels (macro- and microstructural) to simulate the behavior of double-porosity media. The uniqueness of this model is that the system of equations used to calculate the chemical speciation problem and the advective-diffusive-dispersive transport can be integrally solved in COMSOL. The model has been satisfactorily verified and validated using the benchmark exercise consisting of the simulation of the multicomponent advective-diffusive column experiment conducted on a compacted bentonite core extracted from a field experiment (LOT project) in the Äspö Hardrock laboratory (Sweden).

Combining Soil Vapor Extraction and Electrokinetics for the Removal of Hexachlorocyclohexanes from Soil.

This paper focuses on the evaluation of the mobility of four hexachlorocyclohexane (HCH) isomers by soil vapor extraction (SVE) coupled with direct electrokinetic (EK) treatment without adding flushing fluids. SVE was found to be very efficient and remove nearly 70 % of the four HCH in the 15-days of the tests. The application of electrokinetics produced the transport of HCH to the cathode by different electrochemical processes, which were satisfactorily modelled with a 1-D transport equation. The increase in the electric field led to an increase in the transport of pollutants, although 15 days was found to be a very short time for an efficient transportation of the pollutants to the nearness of the cathode. Loss of water content in the vicinity of the cathode warns about the necessity of using electrokinetic flushing technologies instead of simple direct electrokinetics. Thus, results point out that direct electrokinetic treatment without adding flushing fluids produced low current intensities and ohmic heating that contributes negatively to the performance of the SVE process. No relevant differences were found among the removal of the four isomers, neither in SVE nor in EK processes.

Enhancing soil vapor extraction with EKSF for the removal of HCHs.

This paper evaluates the combination of electrokinetic soil flushing (EKSF) with soil vapor extraction (SVE) for the removal of four hexachlorocyclohexane (HCH) isomers contained in a real matrix. Results demonstrate that the combination of EKSF and SVE can be positive, but it is required the application of high electric fields (3 V cm-1) in order to promote a higher temperature in the system, which improves the volatilization of the HCH contained in the system. Electrokinetic transport is also enhanced with the application of higher electric gradients, but these transport processes are slower than the volatilization processes, which are the primary in this system. Hence collection of species in the electrolyte wells is negligible as compared to the compound dragged with air by the SVE but the temperature increase demonstrates a good performance. Combination of EKSF with SVE can efficiently exhaust the four HCH isomers reaching a removal of more than 90% after 15 days of treatment (20% more than values attained by SVE) but it is required the application of high electric fields to promote a higher temperature in the system (to improve the volatilization) and EK transport (to improve the dragging). 1-D transport model can be easily used to estimate the average pore water velocity and the effective diffusion of each compound under the different experimental conditions tested.

A worksheet-based tool to implement reactive transport models in COMSOL Multiphysics.

The increasing needs for modelling of reactive transport phenomena in different areas of environmental modelling have led to the development of many numerical codes. However, many of them suffer from a lack of flexibility, which hinders the adaptation of the codes to new problems. Moreover, in many cases, changes can be done by a very reduced group of people, and often by a single person, the main developer. Implementation platforms based on multiphysics modelling removes these barriers, although until now within that programming environments has been only possible the coupling of geochemical codes to transport equations using operator splitting techniques. This paper presents the EE4MGM tool, a MS Excel worksheet, provided in supplementary material, for the edition and complete implementation of reactive transport models in COMSOL. The tool automatically generates the code needed to solve the desired reactive transport problem by selecting only which species make up the geochemical system. This way, the numerical model will be completely adapted to the idealisation to be applied, being able to choose easily and effortlessly from a wide range of different levels of conceptual complexity. The organization of data input and the equation libraries obtained for the implementation in the multiphysics COMSOL environment are first described. Afterwards, two examples, in one and two-dimensional domains, to check the utility of the tool are presented.

Geotechnical behaviour of low-permeability soils in surfactant-enhanced electrokinetic remediation.

Electrokinetic processes provide the basis of a range of very interesting techniques for the remediation of polluted soils. These techniques consist of the application of a current field in the soil that develops different transport mechanisms capable of mobilizing several types of pollutants. However, the use of these techniques could generate nondesirable effects related to the geomechanical behavior of the soil, reducing the effectiveness of the processes. In the case of the remediation of polluted soils with plasticity index higher than 35, an excessive shrinkage can be observed in remediation test. For this reason, the continued evaporation that takes place in the sample top can lead to the development of cracks, distorting the electrokinetic transport regime, and consequently, the development of the operation. On the other hand, when analyzing silty soils, in the surroundings of injection surfactant wells, high seepages can be generated that give rise to the development of piping processes. In this article methods are described to allow a reduction, or to even eliminate, both problems.