Browsing Science (Faculty of) by Subject "polymer"
Now showing items 1-9 of 9
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An alternative derivation of orbital-free density functional theory
(AIP, 2019-05-28)Polymer self-consistent field theory techniques are used to derive quantum density functional theory without the use of the theorems of density functional theory. Instead, a free energy is obtained from a partition function ... -
Bidirectional mapping between self-consistent field theory and molecular dynamics
(AIP Publishing, 2007-10-08)A bidirectional mapping scheme that bridges particle-based and field-based descriptions for polymers is presented. Initial application is made to immiscible homopolymer blends. The forward mapping (upscaling) approach ... -
Characterization of Polysaccharides in Starch using Fluorescence Techniques
(University of Waterloo, 2020-09-25)Amylose and amylopectin, which are the two main constituents of starch, were characterized using the pyrene excimer fluorescence (PEF) technique. First, an amylose sample was randomly labeled with the dye pyrene to yield ... -
Characterization of the Behaviour of Solution-Responsive Polymers by Fluorescence
(University of Waterloo, 2014-04-17)Two families of amphiphilic polymers were characterized with respect to their ability to respond to changing solution conditions using steady-state and time-resolved fluorescence. Firstly, a series of 5 sequential amphiphilic ... -
Characterization of the Self-Assembly of Pyrene-Labelled Macromolecules in Water
(University of Waterloo, 2010-05-19)The self-assembly of several pyrene-labelled amphiphilic macromolecules in water was characterized by fluorescence. Information on their self-assembly was obtained by monitoring the level of pyrene aggregation in solution. ... -
Characterization of Various Pyrene-Labelled Macromolecules in Solution by Fluorescence
(University of Waterloo, 2010-11-04)Time-resolved fluorescence was applied to linear and branched pyrene-labelled macromolecules to study their internal dynamics. The linear macromolecules consisted of two series of pyrene-labelled poly(N-isopropylacrylamide)s ... -
An off-lattice derivation and thermodynamic consistency consideration for the Sanchez-Lacombe equation of state
(University of Waterloo, 2017-11-09)The application of the Sanchez-Lacombe equation of state (SL-EOS) to homogeneous polymeric mixtures is requisite for the application of some types of Self-Consistent Field Theory (SCFT) to inhomogeneous mixtures. It has ... -
Reduction of polymer surface tension by crystallized polymer nanoparticles
(AIP Publishing, 2010-10-14)Self-consistent field theory is applied to investigate the effects of crystallized polymer nanoparticles on polymer surface tension. It is predicted that the nanoparticles locate preferentially at the polymer surface and ... -
Wormlike Chain Polymers Under External Fields with Applications to Nanotechnology
(University of Waterloo, 2022-08-12)Polymers are long molecular chains formed from smaller molecular units called monomers. Polymers display interesting macroscopic properties, are ubiquitous in everyday materials, and are also important biomolecules among ...