Persistent Link:
http://hdl.handle.net/10150/265367
Title:
Modeling Electrochemical Water Treatment Processes
Author:
Hubler, David K.
Issue Date:
2012
Publisher:
The University of Arizona.
Rights:
Copyright © is held by the author. Digital access to this material is made possible by the University Libraries, University of Arizona. Further transmission, reproduction or presentation (such as public display or performance) of protected items is prohibited except with permission of the author.
Abstract:
Several electrochemical processes are modeled at process levels and atomic scales. Processes are presented for acid generation and ion exchange media regeneration, along with corresponding process models. Transport and reaction processes in individual ion exchange beads are also modeled. Acids of mild strength (pH = ~1-2) are generated from electrolyte solutions and their strength is effectively modeled as a function of time. The regeneration of ion exchange media is also modeled, to close agreement with measurements, and the process model is reconciled with a model for solute flux from an individual ion exchange bead. Together, the models show that the "gentle" regeneration process is controlled by the plating rate. Processes interior to the particle are controlled by diffusion, but all processes are faster than the characteristic time for plating. In a separate process, an electrochemical method is used to produce hypochlorite for disinfection. The process generates perchlorate as a toxic byproduct. Density function theory is used to construct an atomic-scale model of the mechanism for producing perchlorate, as well as the aging of the boron-doped diamond anode used in the process. The mechanism shows that the boron-doped diamond surface plays an important role in chemisorbing and stabilizing radicals of oxychlorine anions, allowing the radicals to live long enough to react and form higher ions like perchlorate. Wear mechanisms that occur on the anode are shown to oxidize and etch the surface, changing its chemical functionality over time. As the surface ages, the overpotential for water oxidation is decreased, decreasing the efficiency of the electrode.
Type:
text; Electronic Dissertation
Keywords:
density functional theory; electrochemical processes; perchlorate; water treatment; Chemical Engineering; boron-doped diamond; copper
Degree Name:
Ph.D.
Degree Level:
doctoral
Degree Program:
Graduate College; Chemical Engineering
Degree Grantor:
University of Arizona
Advisor:
Baygents, James C.

Full metadata record

DC FieldValue Language
dc.language.isoenen_US
dc.titleModeling Electrochemical Water Treatment Processesen_US
dc.creatorHubler, David K.en_US
dc.contributor.authorHubler, David K.en_US
dc.date.issued2012-
dc.publisherThe University of Arizona.en_US
dc.rightsCopyright © is held by the author. Digital access to this material is made possible by the University Libraries, University of Arizona. Further transmission, reproduction or presentation (such as public display or performance) of protected items is prohibited except with permission of the author.en_US
dc.description.abstractSeveral electrochemical processes are modeled at process levels and atomic scales. Processes are presented for acid generation and ion exchange media regeneration, along with corresponding process models. Transport and reaction processes in individual ion exchange beads are also modeled. Acids of mild strength (pH = ~1-2) are generated from electrolyte solutions and their strength is effectively modeled as a function of time. The regeneration of ion exchange media is also modeled, to close agreement with measurements, and the process model is reconciled with a model for solute flux from an individual ion exchange bead. Together, the models show that the "gentle" regeneration process is controlled by the plating rate. Processes interior to the particle are controlled by diffusion, but all processes are faster than the characteristic time for plating. In a separate process, an electrochemical method is used to produce hypochlorite for disinfection. The process generates perchlorate as a toxic byproduct. Density function theory is used to construct an atomic-scale model of the mechanism for producing perchlorate, as well as the aging of the boron-doped diamond anode used in the process. The mechanism shows that the boron-doped diamond surface plays an important role in chemisorbing and stabilizing radicals of oxychlorine anions, allowing the radicals to live long enough to react and form higher ions like perchlorate. Wear mechanisms that occur on the anode are shown to oxidize and etch the surface, changing its chemical functionality over time. As the surface ages, the overpotential for water oxidation is decreased, decreasing the efficiency of the electrode.en_US
dc.typetexten_US
dc.typeElectronic Dissertationen_US
dc.subjectdensity functional theoryen_US
dc.subjectelectrochemical processesen_US
dc.subjectperchlorateen_US
dc.subjectwater treatmenten_US
dc.subjectChemical Engineeringen_US
dc.subjectboron-doped diamonden_US
dc.subjectcopperen_US
thesis.degree.namePh.D.en_US
thesis.degree.leveldoctoralen_US
thesis.degree.disciplineGraduate Collegeen_US
thesis.degree.disciplineChemical Engineeringen_US
thesis.degree.grantorUniversity of Arizonaen_US
dc.contributor.advisorBaygents, James C.en_US
dc.contributor.committeememberFarrell, Jamesen_US
dc.contributor.committeememberArnold, Roberten_US
dc.contributor.committeememberLamoureux, Christopheren_US
dc.contributor.committeememberBaygents, James C.en_US
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