Browsing Waterloo Research by Subject "block copolymers"
Now showing items 1-15 of 15
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Benchmarking a self-consistent field theory for small amphiphilic molecules
(RSC publishing, 2012-08-14)A minimalist self-consistent field theory for small amphiphilic molecules is presented. The equations for this model are less involved than those for block copolymers and are easily implemented computationally. A new ... -
Binary hard sphere mixtures in block copolymer melts
(American Physical Society, 2002)We perform a self-consistent-field/density-functional-theory hybrid analysis for a system of diblock copoly- mers mixed with polydisperse, hard, spherical particles of various chemical species. We apply this theory to study ... -
Block Copolymer-Directed Assembly of Nanoparticles: Forming Mesoscopically Ordered Hybrid Materials
(American Chemical Society, 2002)Mixtures of diblock copolymers and nanoscopic spherical particles can yield well-ordered hybrid materials, which can be used for separation processes, catalysis, and optoelectronic applications. Predicting the morphologies ... -
Communication: Molecular-level insights into asymmetric triblock copolymers: Network and phase development
(AIP publishing, 2014-10-01)Molecularly asymmetric triblock copolymers progressively grown from a parent diblock copolymer can be used to elucidate the phase and property transformation from diblock to network-forming triblock copolymer. In this ... -
Effect of Nanoscopic Particles on the Mesophase Structure of Diblock Copolymers
(American Chemical Society, 2002)Introduction. The fabrication of novel biomimetic photonic and electronic materials requires the manipulation of both organic and inorganic materials at the nanometer length scale. One possible means of achieving this level ... -
Entropically Driven Formation of Hierarchically Ordered Nanocomposites
(American Physical Society, 2002)Using theoretical models, we undertake the first investigation into the rich behavior that emerges when binary particle mixtures are blended with microphase-separating copolymers. We isolate an example of coupled self-assembly ... -
Improved convergence in block copolymer self-consistent field theory by Anderson mixing
(American Institute of Physics, 2004)A modification to real space polymeric self-consistent field theory algorithms that greatly improves the convergence properties is presented. The method is based on Anderson mixing (D. G. Anderson, J. Assoc. Comput. Mach. ... -
Nanoparticle-regulated phase behavior of ordered block copolymers
(RSC publishing, 2008-06-30)Although block copolymer motifs have received considerable attention as supramolecular templates for inorganic nanoparticles, experimental observations of a nanostructured diblock copolymer containing inorganic ... -
Ordering mechanisms in triblock copolymers
(American Physical Society, 2004)The ordering mechanisms for an ABC triblock copolymer system are studied using self-consistent field theory. We find a two-phase mechanism, similar to what has been suggested experimentally two-step mecha- nism. Analysis ... -
Origins of Elastic Properties in Ordered Block Copolymer/Nanoparticle Composites
(American Chemical Society, 2004)We predict a diblock copolymer melt in the lamellar phase with added spherical nanoparticles that have an affinity for one block to have a lower tensile modulus than a pure diblock copolymer system. This weakening is due ... -
Particle Distributions in a Block Copolymer Nanocomposite
(American Chemical Society, 2008)Self-consistent-field theory is used to predict the center-of-mass distribution of spherical nanoparticles embedded in the lamellar phase of a diblock copolymer melt. The calculation is performed in the dilute limit, where ... -
Predicting nonpolymeric materials structure with real-space self-consistent field theory
(APS publishing, 2006-02-17)Polymer self-consistent field theory of the Edwards-Helfand kind is the state-of-the-art method for predicting the morphologies of block copolymer materials. The methodology of block copolymer self-consistent field theory ... -
Predicting the Mesophases of Copolymer-Nanoparticle Composites
(American Association for the Advancement of Science, 2001)The interactions between mesophase-forming copolymers and nanoscopic par- ticles can lead to highly organized hybrid materials. The morphology of such composites depends not only on the characteristics of the copolymers, ... -
Self-assembly of a binary mixture of particles and diblock copolymers
(Royal Society of Chemistry, 2003)Using theoretical models, we undertake the first investigation into the synergy and rich phase behavior that emerges when binary particle mixtures are blended with microphase- separating copolymers. We isolate an example ... -
Self-Assembly of Amphiphilic Nanoparticle-Coil “Tadpole” Macromolecules
(American Chemical Society, 2004)None.