Special Session on:
Subsurface Biogeochemistry and Reactive Transport Modeling


Brent Sleep, University of Toronto
Peter Knabner, University of Erlangen


The fate and transport of contaminants in subsurface systems may be controlled by a variety of reactive processes. These range from abiotic chemical processes (dissolution, precipitation, complexation, redox, acid-base, hydrolysis) to microbially mediated biogeochemical processes. These processes may be naturally occurring, or be associated with engineered remediation systems such as in situ chemical oxidation or reduction. Recent remediation approaches have included the use of nanoscale materials such as nanoscale zerovalent iron. Modeling reactive transport poses significant challenges, including large numbers of primary variables, a high degree of nonlinearity, sharp fronts, and widely varying timescales, all of which lead to computational complexity and cost.

This special session will focus on innovative approaches to modeling reactive transport, including development of novel numerical approaches and development and application of new conceptual models for reactive transport processes. Concerning numerical methods, in particular accurate and efficient methods going beyond operator splitting approaches and locally mass conservative discretizations will be discussed. Novel model formulations, also based on rigorous upscaling will be included. Subjects of interest include geochemical reactions, microbial processes, and nanoscale reactants.

Papers and Abstracts:

Coupled Flow and Contaminant Transport Models for Toxic Elements Associated with the Marcellus Shale Flowback and Produced Water; It’s Application to Human Exposure and Risk Assessment
Sina Arjmand, Jorge Abad, Xu Liang

Using Streamlines for highly-resolved, reactive transport CO2 leakage scenarios to examining the influence of uncertain subsurface conditions on probabilistic risk of groundwater contamination
Adam Atchley, Reed Maxwell, Alexis Navarre-Sitchler

Chemotaxis Modelling In Herogeneous Porous Media Using Smoothing Particle Hydrodynamics
Diego Avesani, Michael Dumbser, Gabriele Chiogna, Alberto Bellin

Use of messenger RNA to predict microbial degradation kinetics – development of a new conceptual model for vinyl chloride dechlorination by Dehalococcoides
Jacob Baelum, Julie Chambon, Philip Binning, Poul Bjerg, Troels Laier

Simulating the Reactive Transport of Selenium in a Regional Irrigated Agricultural Groundwater System
Ryan Bailey, Timothy Gates

Advection in bioirrigated muddy sediments – can it be relevant? A model study
Andreas Brand, Jörg Lewandowski, Enrico Hamann, Gunnar Nützmann

Application of flux corrected transport for multicomponent reactive transport modeling
Oscar Garcia-Cabrejo, Albert Valocchi

A Massively Parallel Fully-Coupled Fully-Implicit Solution To Reactive Transport in Porous Media Using Preconditioned Jacobian-Free Newton-Krylov (JFNK) Method
Luanjin Guo, Hai Huiang, Chuan Lu

Employing Laguerre Function Bases To Extend Analytic Transport Solutions to Arbitrary Boundary Conditions: Mathematical Underpinnings of a New Modelling Technique for Multi-component Dissolution with Reactive Transport
Scott Hansen, Bernard Kueper

A Multiscale Lagrangian Approach for the Numerical Simulation of Solute Mixing in Heterogeneous Porous Media
Paulo Herrera, Joquin Cortinez, Roger Beckie

The effect of soil heterogeneity on dissolution and microbial kinetics during enhanced bioremediation of DNAPL source zones
Amalia Kokkinaki, Brent Sleep, Haibing Shao

Flocculation in the context of the advection-diffusion-reaction equation
Oleh Krehel, Peter Knabner

Insights from Particle Tracking Algorithm on the Effect of Motility on Bacterial Transport in Porous Media
Nanxi Lv, Tamir Kamai, Arash Massoudieh, Timothy Ginn, Helen Nguyen

Transport of Cryptosporidium parvum Oocysts in a Silicon Micromodel
Yuanyuan Liu, Changyong Zhang, Markus Hilpert, Mark Kuhlenschmidt, Thanh Nguyen

Uncertainty Analysis in Groundwater Dating with Environmental Tracers using Markov Chain Monte Carlo Method
Arash Massoudieh, Soroosh Sharifi, D. Kip Solomon

Simulating Nitrate And Potassium Ion Transport Following The Application Of Vinasse To Laboratory Soil Columns
Jarbas Miranda, Martinus Th. Van Genuchten, Richard Cooke, João Alberto Lelis Neto

Pore Network Model Development to Study Dissolution and Precipitation of Carbonate Rocks
Juan Nogues, Catherine Peters, Michael Celia

Identification of biogeochemical degradation parameters of propylene glycol by complex modeling
Alexander Prechtel, Kai Uwe Totsche

The role of microbial heterogeneity in pesticide degradation in agricultural soils
Annette Rosenbom, Anders Johnsen, Jens Aamand, Arnaud Dechesne, Barth Smets, Nora Badawi, Philip Binning

Uncertainty qualification of biogeochemical models for ethanol-stimulated uranium (VI) reduction in subsurface sediments
Xiaoqing Shi, Guoping Tang, Ming Ye, Wei-Min Wu, Jack Parker

Hyperbolic theory for heterovalent ion-exchange
Ashwin Venkatraman, Marc Hesse

Modeling Isotope Fractionation Associated with Aqueous Phase Diffusion
Shu Xu, Barbara Sherwood Lollar, Brent Sleep

Multi-component Reactive Transport Modeling of PCE Degradation at the Pilot Scale Constructed Wetland Bitterfeld, Germany
Reza Zolfaghari, Zhongbing Chen, Haibing Shao, Peter Kuschk, Olaf Kolditz