Predictive Modeling of Metal-Catalyzed Polyolefin Processes

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dc.contributor.authorKhare, Neeraj Prasaden
dc.contributor.committeechairLiu, Y. A.en
dc.contributor.committeememberAdjerid, Slimaneen
dc.contributor.committeememberBaird, Donald G.en
dc.contributor.committeememberMcGrath, James E.en
dc.contributor.committeememberDavis, Richey M.en
dc.contributor.departmentChemical Engineeringen
dc.date.accessioned2011-08-22T18:50:48Zen
dc.date.adate2003-12-08en
dc.date.available2011-08-22T18:50:48Zen
dc.date.issued2003-11-14en
dc.date.rdate2003-12-08en
dc.date.sdate2003-11-25en
dc.description.abstractThis dissertation describes the essential modeling components and techniques for building comprehensive polymer process models for metal-catalyzed polyolefin processes. The significance of this work is that it presents a comprehensive approach to polymer process modeling applied to large-scale commercial processes. Most researchers focus only on polymerization mechanisms and reaction kinetics, and neglect physical properties and phase equilibrium. Both physical properties and phase equilibrium play key roles in the accuracy and robustness of a model. This work presents the fundamental principles and practical guidelines used to develop and validate both steady-state and dynamic simulation models for two large-scale commercial processes involving the Ziegler-Natta polymerization to produce high-density polyethylene (HDPE) and polypropylene (PP). It also provides a model for the solution polymerization of ethylene using a metallocene catalyst. Existing modeling efforts do not include physical properties or phase equilibrium in their calculations. These omissions undermine the accuracy and predictive power of the models. The forward chapters of the dissertation discuss the fundamental concepts we consider in polymer process modeling. These include physical and thermodynamic properties, phase equilibrium, and polymerization kinetics. The later chapters provide the modeling applications described above.en
dc.description.degreePh. D.en
dc.format.mediumETDen
dc.identifier.otheretd-11252003-115529en
dc.identifier.sourceurlhttp://scholar.lib.vt.edu/theses/available/etd-11252003-115529en
dc.identifier.urihttp://hdl.handle.net/10919/11065en
dc.publisherVirginia Techen
dc.relation.haspartKhare_Dissertation.pdfen
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subjectmetalloceneen
dc.subjectpolymerization kineticsen
dc.subjectZiegler-Nattaen
dc.subjectSimulationen
dc.subjectmodelen
dc.subjectphase equilibriumen
dc.subjectphysical propertiesen
dc.subjectreactoren
dc.subjectpolypropyleneen
dc.subjectpolyethyleneen
dc.titlePredictive Modeling of Metal-Catalyzed Polyolefin Processesen
dc.typeDissertationen
thesis.degree.disciplineChemical Engineeringen
thesis.degree.grantorVirginia Polytechnic Institute and State Universityen
thesis.degree.leveldoctoralen
thesis.degree.namePh. D.en

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