A study of reactive transport phenomena in porous media

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dc.contributor.advisorWheeler, Mary F.en_US
dc.creatorSaaf, Fredrik Edvarden_US
dc.date.accessioned2009-06-04T06:51:04Zen_US
dc.date.available2009-06-04T06:51:04Zen_US
dc.date.issued1997en_US
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.en_US
dc.format.extent185 p.en_US
dc.format.mimetypeapplication/pdfen_US
dc.identifier.callnoTHESIS MATH.SCI. 1997 SAAFen_US
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>.en_US
dc.identifier.urihttps://hdl.handle.net/1911/19202en_US
dc.language.isoengen_US
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.en_US
dc.subjectHydrologyen_US
dc.subjectMathematicsen_US
dc.subjectChemical engineeringen_US
dc.subjectGeochemistryen_US
dc.titleA study of reactive transport phenomena in porous mediaen_US
dc.typeThesisen_US
dc.type.materialTexten_US
thesis.degree.departmentMathematical Sciencesen_US
thesis.degree.disciplineEngineeringen_US
thesis.degree.grantorRice Universityen_US
thesis.degree.levelDoctoralen_US
thesis.degree.nameDoctor of Philosophyen_US
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