Modeling of coupled flow, transport and biogeochemical reactions during electrokinetic bioremediation: model development and application

<p>Electrokinetic (EK) remediation is one of the few in-situ remediation technologies that can effectively remove contaminants from low-permeability porous media. Process-based modeling, including the complex multiphysics and biogeochemical processes occurring during electrokinetic remediation, is instrumental to describe EK systems and to assist in their design. In this work we use NP-Phreeqc-EK [1], a multidimensional, multiphysics code which couples a flow and transport simulator (COMSOL Multiphysics) with a geochemical code (PhreeqcRM) through a MATLAB LiveLink interface. The model allows the simulation of coupled fluid flow, solute transport, charge interactions and biogeochemical reactions during electrokinetics in saturated porous media. The process-based code is applied for the modeling of electrokinetic delivery of amendments to enhance bioremediation (EK-Bio) of chlorinated compounds at a pilot test site [2]. We simulate both conservative and reactive transport scenarios and we compute and show the Nernst-Planck fluxes and the velocities of the different species (such as lactate, chlorinated ethenes and degrading microorganisms). To compare remediation performances and model outcomes we define different metrics quantifying the spatial distribution of the delivered reactants and the mass of the organic contaminants in the system. The process-based model allowed the simulation of the key processes occurring during EK-Bio, including 1) multidimensional electrokinetic transport such as electromigration of charged species and electroosmosis, 2) Coulombic interactions between ions in solution, 3) kinetics of contaminant biodegradation, 4) dynamics of microbial populations, 5) mass transfer limitations and 6) geochemical reactions.</p><p> </p><p>[1] Sprocati, R., Masi, M., Muniruzzaman, M., & Rolle, M. (2019). Modeling electrokinetic transport and biogeochemical reactions in porous media: A multidimensional Nernst–Planck–Poisson approach with PHREEQC coupling. <em>Advances in Water Resources</em>, <strong>127</strong>, 134-147.</p><p>[2] Sprocati, R., Flyvbjerg, J., Tuxen, N., & Rolle, M. (2020). Process-based modeling of electrokinetic-enhanced bioremediation of chlorinated ethenes. <em>Journal of Hazardous Materials</em>, <strong>397</strong>, 122787.</p>

The Influence of Electric Field Intensity and Particle Length on the Electrokinetic Transport of Cylindrical Particles Passing through Nanopore

The electric transport of nanoparticles passing through nanopores leads to a change in the ion current, which is essential for the detection technology of DNA sequencing and protein determination. In order to further illustrate the electrokinetic transport mechanism of particles passing through nanopores, a fully coupled continuum model is constructed by using the arbitrary Lagrangian–Eulerian (ALE) method. The model consists of the electric field described by the Poisson equation, the concentration field described by Nernst–Planck equation, and the flow field described by the Navier–Stokes equation. Based on this model, the influence of imposed electric field and particle length on the electrokinetic transport of cylindrical particles is investigated. It is found firstly the translation velocities for the longer particles remain constant when they locate inside the nanopore. Both the ion current blockade effect and the ion current enhancement effect occur when cylindrical particles enter and exit the nanopore, respectively, for the experimental parameters employed in this research. Moreover, the particle translation velocity and current fluctuation amplitude are dominated by the electric field intensity, which can be used to adjust the particle transmission efficiency and the ion current detectability. In addition, the increase in particle length changes the particle position corresponding to the peak value of the ion current, which contributes to distinguishing particles with different lengths as well.