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dc.contributor.authorJbara, Layal
dc.contributor.otherQueen's University (Kingston, Ont.). Theses (Queen's University (Kingston, Ont.))en
dc.description.abstractWe use molecular modeling to study the non-equilibrium behaviour of polymeric fluids. Specifically, we explore the macromolecular orientation induced by shear flow fields. We choose the simplest molecular model, the rigid dumbbell model, which describes the molecular structure of the polymer with two identical spherical beads joined by a massless fixed rod. For rigid dumbbells suspended in a Newtonian solvent, the viscoelastic response depends exclusively on the dynamics of dumbbell orientation. The orientation distribution function ψ (θ,φ,t) represents the probability of finding dumbbells within the range (θ,θ+dθ) and (φ,φ+dφ). This function is expressed in terms of a partial differential equation called the diffusion equation, which, for any simple shear flow, is solved by postulating a series expansion in the shear rate magnitude. Each order of this expansion yields a new partial differential equation, for which one must postulate a form for its solution. This work finds a simple and direct pattern to these solutions. The use of this pattern reduces the amount of work required to determine the coefficients of the power series expansion of the orientation distribution function,ψi. To demonstrate the usefulness of this new pattern, we arrive at new expressions for these coefficients up to and including the sixth power of the shear rate magnitude. This work also completes previous findings that ended at the fourth power of the shear rate magnitude. We then use the general results found for any simple shear flow to derive the solution for the special case of large-amplitude oscillatory shear (LAOS). We extend the orientation distribution function to the 6th power of the shear rate amplitude. We arrive at the Fourier solution for each harmonic contribution to the total orientation distribution function, separating each harmonic into its coefficients in and out-of-phase with cosnωt, ψ'n and ψ" n, respectively. We plot, for the first time, the evolving normalized alternant macromolecular orientation, in the nonlinear viscoelastic regime. Moreover, to deepen our understanding of the macromolecular motions, we distinguish and study two types of possible rotations, tumbling and wobblingen_US
dc.relation.ispartofseriesCanadian thesesen
dc.rightsQueen's University's Thesis/Dissertation Non-Exclusive License for Deposit to QSpace and Library and Archives Canada*
dc.rightsProQuest PhD and Master's Theses International Dissemination Agreement*
dc.rightsIntellectual Property Guidelines at Queen's University*
dc.rightsCopying and Preserving Your Thesis*
dc.rightsThis publication is made available by the authority of the copyright owner solely for the purpose of private study and research and may not be copied or reproduced except as permitted by the copyright laws without written authority from the copyright owner.*
dc.rightsCC0 1.0 Universal*
dc.subjectOrientation Distribution Functionen_US
dc.subjectRigid Dumbbell Modelen_US
dc.subjectSimple Shear Flowen_US
dc.subjectOscillatory Shear Flowen_US
dc.subjectHigher Harmonicsen_US
dc.subjectPower Series Expansionen_US
dc.subjectDiffusion Equationen_US
dc.subjectMolecular Wobblingen_US
dc.subjectMolecular Tumblingen_US
dc.titleMacromolecular Orientation of Rigid Dumbbells in Shear Flowen_US
dc.description.degreeMaster of Applied Scienceen_US
dc.contributor.supervisorGiacomin, Alan
dc.contributor.departmentChemical Engineeringen_US

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Queen's University's Thesis/Dissertation Non-Exclusive License for Deposit to QSpace and Library and Archives Canada
Except where otherwise noted, this item's license is described as Queen's University's Thesis/Dissertation Non-Exclusive License for Deposit to QSpace and Library and Archives Canada