A study of reactive transport phenomena in porous media

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dc.contributor.advisorWheeler, Mary F.
dc.creatorSaaf, Fredrik Edvard
dc.date.accessioned2009-06-04T06:51:04Z
dc.date.available2009-06-04T06:51:04Z
dc.date.issued1997
dc.description.abstractThe numerical modeling of reactive transport in a porous medium has important applications in hydrology, the earth sciences and in numerous industrial processes. However, realistic simulations involving a large number of chemical species undergoing simultaneous transport and chemical transformation present a significant computational challenge, particularly in multiple spatial dimensions. A framework for analyzing the chemical batch problem is first introduced, which is sufficiently general to allow for reactions of both equilibrium and kinetic type. The governing equations for reactive transport of a single flowing phase through a porous medium are presented next, and a classification based on the nature of the reactive system is established. A computer module for the equilibrium problem is developed, based on a novel application of the interior-point algorithm for nonlinear programming. Among its advantages are good global convergence and automatic selection of mineral phases. To handle kinetic reactions, the equilibrium module is embedded in a time-integration framework using explicit ODE integrators. Reactive transport of species is achieved through operator-splitting, which enables a straightforward incorporation of the batch module into the existing parallel, three-dimensional, single-phase flow and transport simulator PARSim1. Numerical results are presented which demonstrate the correctness of the computer program for major classes of geochemistry problems, including ion-exchange, precipitation/dissolution, adsorption, aqueous complexation and redox reactions.
dc.format.extent185 p.en_US
dc.format.mimetypeapplication/pdf
dc.identifier.callnoTHESIS MATH.SCI. 1997 SAAF
dc.identifier.citationSaaf, Fredrik Edvard. "A study of reactive transport phenomena in porous media." (1997) Diss., Rice University. <a href="https://hdl.handle.net/1911/19202">https://hdl.handle.net/1911/19202</a>.
dc.identifier.urihttps://hdl.handle.net/1911/19202
dc.language.isoeng
dc.rightsCopyright is held by the author, unless otherwise indicated. Permission to reuse, publish, or reproduce the work beyond the bounds of fair use or other exemptions to copyright law must be obtained from the copyright holder.
dc.subjectHydrology
dc.subjectMathematics
dc.subjectChemical engineering
dc.subjectGeochemistry
dc.titleA study of reactive transport phenomena in porous media
dc.typeThesis
dc.type.materialText
thesis.degree.departmentMathematical Sciences
thesis.degree.disciplineEngineering
thesis.degree.grantorRice University
thesis.degree.levelDoctoral
thesis.degree.nameDoctor of Philosophy
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