Publications by Year: 2008

2008
S. Jeong, Wander, M. M., Kleineidam, S., Grathwohl, P., Ligouis, B., and Werth, C. J., “The role of condensed carbonaceous materials on the sorption of hydrophobic organic contaminants in subsurface sediments,” Environ. Sci. Technol., vol. 42, 2008.
C. Zhang, Werth, C. J., and G., A., “Webb, Investigation of surfactant-enhanced mass removal and flux reduction in 3D correlated permeability fields using magnetic resonance imaging,” J. Contam. Hydrol, pp. 116–126, 2008.
C. Zhang, Yoon, H., Werth, C. J., Valocchi, A. J., Basu, N. B., and Jawitz, J. W., “Evaluation of simplified mass transfer models to simulate the impacts of source zone architecture on nonaqueous phase liquid dissolution in heterogeneous porous media,” J. Contam. Hydrol., pp. 49–60, 2008.
H. Yoon, Werth, C. J., Valocchi, A. J., and Oostron, M., “Impact of nonaqueous phase liquid (nap source zone architecture on mass removal mechanisms in strongly layered heterogeneous porous media during soil vapor extraction,” J. Contam. Hydrol., pp. 58–71, 2008.
H. Yoon, Zhang, C., Werth, C. J., Valocchi, A. J., and Webb, A. G., “Three dimensional characterization of water flow in heterogeneous porous media using magnetic resonance imaging,” Water Resour. Res., vol. 44, 2008.
T. M. Willingham, Werth, C. J., and Valocchi, A. J., “Evaluation of the Effects of Porous Media Structure on Mixing-Controlled Reactions Using Pore-Scale Modeling and Micromodel Experiments,” Environmental Science & Technoloty, vol. 42, no. 9, pp. 3185–3193, 2008. Publisher's VersionAbstract
The objectives of this work were to determine if a pore-scale model could accurately capture the physical and chemical processes that control transverse mixing and reaction in microfluidic pore structures (i.e., micromodels), and to directly evaluate the effects of porous media geometry on a transverse mixing-limited chemical reaction. We directly compare pore-scale numerical simulations using a lattice-Boltzmann finite volume model (LB-FVM) with micromodel experiments using identical pore structures and flow rates, and we examine the effects of grain size, grain orientation, and intraparticle porosity upon the extent of a fast bimolecular reaction. For both the micromodel experiments and LB-FVM simulations, two reactive substrates are introduced into a network of pores via two separate and parallel fluid streams. The substrates mix within the porous media transverse to flow and undergo instantaneous reaction. Results indicate that (i) the LB-FVM simulations accurately captured the physical and chemical process in the micromodel experiments, (ii) grain size alone is not sufficient to quantify mixing at the pore scale, (iii) interfacial contact area between reactive species plumes is a controlling factor for mixing and extent of chemical reaction, (iv) at steady state, mixing and chemical reaction can occur within aggregates due to interconnected intra-aggregate porosity, (v) grain orientation significantly affects mixing and extent of reaction, and (vi) flow focusing enhances transverse mixing by bringing stream lines which were initially distal into close proximity thereby enhancing transverse concentration gradients. This study suggests that subcontinuum effects can play an important role in the overall extent of mixing and reaction in groundwater, and hence may need to be considered when evaluating reactive transport.