Browsing University of Waterloo by Author "Thompson, Russell B."
Now showing items 1-20 of 42
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Adsorption of surface-modified silica nanoparticles to the interface of melt poly (lactic acid) and supercritical carbon dioxide
Thompson, R.B.; Park, Chul B.; Chen, P.; Jeddi, K.; Sarikhani, K. (ACS Publications, 2015-04-28)With the purpose of fabricating polymer nanocomposite foams and preventing coalescence in foaming processes, the interfacial tension of poly (lactic acid) (PLA) -silica composites is investigated in this work. Synthesized ... -
An alternative derivation of orbital-free density functional theory
Thompson, Russell B. (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 ... -
Application of a constant hole volume Sanchez–Lacombe equation of state to mixtures relevant to polymeric foaming
Park, Chul B.; von Konigslow, Kier; Thompson, Russell B. (Royal Society of Chemistry, 2018)A variant of the Sanchez–Lacombe equation of state is applied to several polymers, blowing agents, and saturated mixtures of interest to the polymer foaming industry. These are low-density polyethylene– carbon dioxide and ... -
Atomic shell structure from an orbital-free-related density-functional-theory Pauli potential
Thompson, Russell B. (American Physical Society, 2020-07)Polymer self-consistent field theory techniques are used to find radial electron densities and total binding energies for isolated atoms. Quantum particles are modeled as Gaussian threads with ring-polymer architecture in ... -
Benchmarking a self-consistent field theory for small amphiphilic molecules
Thompson, Russell B.; Jebb, T.; Wen, Y. (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 ... -
Bidirectional mapping between self-consistent field theory and molecular dynamics
Thompson, Russell B.; Sewell, Thomas; Rasmussen, Kim; Bedrov, Dmitry; Smith, Grant (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 ... -
Binary hard sphere mixtures in block copolymer melts
Thompson, Russell B.; Lee, Jae Youn; Jasnow, David; Balazs, Anna C. (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
Thompson, Russell B.; Ginzburg, Valeriy V.; Matsen, Mark W.; Balazs, Anna C. (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
Tallury, Syamal S.; Mineart, Kenneth P.; Woloszczuk, Sebastian; Williams, David N.; Thompson, Russell B.; Pasquinelli, Melissa A.; Banaszak, Michal; Spontak, Richard J. (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
Lee, Jae Youn; Thompson, Russell B.; Jasnow, David; Balazs, Anna C. (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 ... -
Effect of pressure and temperature on interfacial tension of poly lactic acid melt in supercritical carbon dioxide
Sarikhani, K.; Jeddi, K.; Thompson, R.B.; Park, Chul B.; Chen, P. (Elsevier, 2015-04-11)The interfacial tension of poly lactic acid (PLA) melt is measured in supercritical carbon dioxide (CO2) at the temperature range of 143 °C to 168 °C and CO2 pressures up to 2000 psi, using Axisymmetric Drop Shape Analysis ... -
Effect of Temperature and Pressure on Surface Tension of Polystyrene in Supercritical Carbon Dioxide
Thompson, Russell B.; Park, H.; Lanson, N.; Tzoganakis, C.; Park, Chul B.; Chen, P. (ACS Publications, 2007-02-15)The surface tension of polymers in a supercritical fluid is one of the most important physicochemical parameters in many engineering processes, such as microcellular foaming where the surface tension between a polymer melt ... -
Effect of well-dispersed surface-modified silica nanoparticles on crystallization behavior of poly (lactic acid) under compressed carbon dioxide
Sarikhani, K.; Nasseri, R.; Lotocki, V.; Thompson, Russell B.; Park, Chul B.; Chen, Pu (Elsevier, 2016)In this work, the crystallization behavior of poly (lactic acid) (PLA)/amine-modified silica nano- composites at different loadings of amine-modified silica (1, 2, and 8 wt %) under isothermal, non- isothermal, and isothermal ... -
Elastic moduli of multiblock copolymers in the lamellar phase
Thompson, R. B.; Rasmussen, Kim; Lookman, T. (AIP Publishing, 2004-02-22)We study the linear elastic response of multiblock copolymer melts in the lamellar phase, where the molecules are composed of tethered symmetric AB diblock copolymers. We use a self-consistent field theory method, and ... -
Electric-field-dependent variable-range hopping conductance in quasi-two-dimensional systems: Application to PrBa2Cu3O7-y-based superconductor–normal-metal–superconductor junctions
Singh, M.; Thompson, Russell B.; Dumas, O. (American Physical Society, 1996-03)We have calculated the hopping conductivity of quasi-two-dimensional systems by using the variable-range hopping conduction mechanism in the presence of an electric field. We considered that the localized states are randomly ... -
Electric-field-dependent variable-range hopping conduction in PrBa2Cu307-y
Thompson, Russell B.; Singh, M. (Taylor & Francis, 1997-02)The variable-range hopping conductivities of quasi-two-dimensional systems in electric fields were calculated for the cases of both constant and energy-dependent densities of states. The localized states were considered ... -
Entropically Driven Formation of Hierarchically Ordered Nanocomposites
Lee, Jae Youn; Thompson, Russell B.; Jasnow, David; Balazs, Anna C. (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 ... -
Evaluating Characteristic Parameters for Carbon Dioxide in the Sanchez−Lacombe Equation of State
von Konigslow, Kier; Park, Chul B.; Thompson, Russell B. (American Chemical Society, 2017)For many different pure substances, large numbers of competing characteristic parameter sets exist in the literature for the Sanchez−Lacombe equation of state. This is due in part to differing research requirements or ... -
Improved convergence in block copolymer self-consistent field theory by Anderson mixing
Thompson, Russell B.; Rasmussen, Kim O.; Lookman, Turab (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. ... -
Magnetoconductance due to variable-range hopping in quasi-two-dimensional systems: Application to PrBa2Cu3O7-delta
Thompson, Russell B.; Singh, M. (American Physical Society, 1998-01)In this paper, we have developed a theory of magnetoconductance (magnetoresistance) due to variable-range hopping for quasi-two-dimensional systems. We have included the effect of electric fields on the calculation of the ...