Doctoral Dissertations

Date of Award

8-2011

Degree Type

Thesis

Degree Name

Doctor of Philosophy

Major

Chemical Engineering

Major Professor

Bamin Khomami

Committee Members

Brian J. Edwards, Shanfeng Wang, Ramki Kalyanaraman

Abstract

While rheological and microstructural complexities have posed tremendous challenges to researchers in developing first principles models and simulation techniques that can accurately and robustly predict the dynamical behaviour of polymeric flows, the past two decades have offered several significant advances towards accomplishing this goal. These accomplishments include: (1). Stable and accurate formulation of continuum-level viscoelastic constitutive models and their efficient implementation using operator splitting methods to explore steady and transient flows in complex geometries, (2). Prediction of rheology of polymer solutions and melts based on micromechanical models as well as highly parallel self-consistent multiscale simulations of non-homogeneous flows. The main objective of this study is to leverage and build upon the aforementioned advances to develop a quantitative understanding of the flow-micro-structure coupling mechanisms in viscoelastic polymeric fluids and in turn predict, consistent with experiments, their essential macroscopic flow properties e.g. frictional drag, interface shape, etc. To this end, we have performed extensive continuum and multiscale flow simulations in several industrially relevant bulk and free surface flows. The primary motivation for the selection of the specific flow problems is based on their ability to represent different deformation types, and the ability to experimentally verify the simulation results as well as their scientific and industrial significance.

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