dc.contributor.advisor	Van Cappellen, Philippe
dc.contributor.author	Shafei, Babak	en_US
dc.contributor.committeeMember	Christian Huber
dc.contributor.committeeMember	Christof Meile
dc.contributor.committeeMember	Marc Stieglitz
dc.contributor.committeeMember	Taillefert, Martial
dc.contributor.department	Earth and Atmospheric Sciences	en_US
dc.date.accessioned	2013-01-17T21:04:46Z
dc.date.available	2013-01-17T21:04:46Z
dc.date.issued	2012-08-22	en_US
dc.description.abstract	Reactive Transport Models (RTMs) provide quantitative tools to analyze the interaction between transport and biogeochemical processes in subsurface environments such as aquatic sediments and groundwater flow. A tremendous amount of research has shown the role and impact of scaling behavior of the reactive systems which stems from geologic heterogeneity. Depending on the kinetics of the reactions, different types of formulations have been proposed to describe reactions in RTMs. We introduce a novel quantitative criteria on the range of validity of local equilibrium assumption (LEA) in aquatic sediments with irreversible heterogeneous sorption reactions. Then we present a one-dimensional (1-D) early diagenetic module, MATSEDLAB, developed in MATLAB. The module provides templates for representing the reaction network, boundary conditions and transport regime, which the user can modify to fit the particular early diagenetic model configuration of interest. We describe the theoretical background of the model and introduce the MATLAB pdepe solver, followed by calibration and validation of the model by a number of theoretical and empirical applications. Finally, we introduce a new pore-scale model using lattice Boltzmann (LB) approach. It uses an iterative scheme for the chemical transport-reaction part and recent advances in the development of optimal advection-diffusion solvers within the lattice Boltzmann method framework. We present results for the dissolution and precipitation of a porous medium under different dynamical conditions, varying reaction rates and the ratio of advective to diffusive transport (Pe, Peclet number) for linear reactions. The final set of calculations considers sorption reactions on a heterogeneous porous medium. We use our model to investigate the effect of heterogeneity on the pore-scale distribution of sorption sites and the competition between three different sorption reactions.	en_US
dc.description.degree	PhD	en_US
dc.identifier.uri	http://hdl.handle.net/1853/45785
dc.publisher	Georgia Institute of Technology	en_US
dc.subject	Early diagenesis modeling	en_US
dc.subject	Lattice-Boltzmann method	en_US
dc.subject	Pore-scale heterogeneity	en_US
dc.subject	Reactive transport modeling	en_US
dc.subject.lcsh	Diagenesis
dc.subject.lcsh	Biogeochemistry
dc.subject.lcsh	Computational fluid dynamics
dc.title	Reactive transport in natural porous media: contaminant sorption and pore-scale heterogeneity	en_US
dc.type	Text
dc.type.genre	Dissertation
dspace.entity.type	Publication
local.contributor.corporatename	School of Earth and Atmospheric Sciences
local.contributor.corporatename	College of Sciences
relation.isOrgUnitOfPublication	b3e45057-a6e8-4c24-aaaa-fb00c911603e
relation.isOrgUnitOfPublication	85042be6-2d68-4e07-b384-e1f908fae48a

Title: Reactive transport in natural porous media: contaminant sorption and pore-scale heterogeneity

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Reactive transport in natural porous media: contaminant sorption and pore-scale heterogeneity