Computational studies of the phase behavior and dynamics of rodlike liquid crystals

In this thesis, the unusual physics of rodlike liquid crystals are explored through simulations of rigid-rod kinetic theory discretized by the finite element method. As their name suggests. these substances retain crystalline. anisotropic microstructure but deform as a liquid: the microstructure results from the anisotropic shape and interactions of the constituent molecules. The molecules are modeled as Brownian. interacting, rigid rods in a kinetic theory formulation. A solution of such rods undergoes a phase transition from a disordered (isotropic) state to an ordered (nematic) state as the density of rods is increased: such a solution also exhibits interesting, complex. non-Newtonian rheological behavior. Liquid-crystalline substances are used in a number of high-performance industrial applications because the aligned, liquid-crystalline structure yields superior mechanical properties in the final product. The properties can be compromised by any interfaces or defects present in the system. The processing of these systems is poorly understood, and further progress requires accurate modeling of the coupled evolution of the microstructure and non-Newtonian flow field. The main goal of this thesis is the simulation of liquid-crystalline phenomena featuring sharp nonhomogeneities in structure on the length scale of a single rod. Such critical phenomena include the interfaces and defects that are prevalent in isotropic-nematic coexistence, phase transitions. aligning boundaries such as walls. and nonhomogeneous flows. In order to capture this level of detail, simulations evolve the rod distribution function, which describes the distribution of rod positions and orientations, coupled with the velocity field. The evolution equation for the distribution function is known as the Doi diffusion equation.

Department dc:contributor.department

Massachusetts Institute of Technology. Dept. of Chemical Engineering.

Grantor dc:publisher

Massachusetts Institute of Technology

Year dc:date.issued

2007

Author dc:creator

• Green, Micah James

Advisor dc:contributor.advisor

• Robert A. Brown and Robert C. Armstrong.

• Chemical Engineering.

Statement dc:rights

• M.I.T. theses are protected by copyright. They may be viewed from this source for any purpose, but reproduction or distribution in any format is prohibited without written permission. See provided URL for inquiries about permission.

Licence dc:rights.uri

• http://dspace.mit.edu/handle/1721.1/7582

Language dc:language.iso

eng

Handle dc:identifier.uri

http://hdl.handle.net/1721.1/42431

OAI identifier oai:identifier

oai:dspace.mit.edu:1721.1/42431