167 citations · 925 across the 22 of their papers we have counts for
13 papers · 1 filter
Multiscale modeling of solute diffusion in triblock copolymer membranes
Anthony J. Cooper, Michael P. Howard, Sanket Kadulkar +5
We develop a multiscale simulation model for diffusion of solutes through porous triblock copolymer membranes. The approach combines two techniques: self-consistent field theory (S…
Shear Induced Demixing in Bidisperse and Polydisperse Polymer Blends: Predictions From a Multi-Fluid Model
Joseph D. Peterson, Glenn H. Fredrickson, L. Gary Leal
In light of recent advancements in the constitutive modelling of bidisperse and polydisperse entangled linear polymers, we present a new multi fluid generalization of the classic t…
Mechanics of an Asymmetric Hard--Soft Lamellar Nanomaterial
Weichao Shi, Glenn H. Fredrickson, Edward J. Kramer +4
Nanolayered lamellae are common structures in nanoscience and nanotechnology, but most are nearly symmetric in layer thickness. Here, we report on the structure and mechanics of hi…
A finite element approach to self-consistent field theory calculations of multiblock polymers
David M. Ackerman, Kris Delaney, Glenn H. Fredrickson +1
Self-consistent field theory (SCFT) has proven to be a powerful tool for modeling equilibrium microstructures of soft materials, particularly for multiblock polymers. A very succes…
A multi-species exchange model for fully fluctuating polymer field theory simulations
Dominik Düchs, Kris T Delaney, Glenn H Fredrickson
Field-theoretic models have been used extensively to study the phase behavior of inhomogeneous polymer melts and solutions, both in self-consistent mean-field calculations and in n…
Dynamics of Polymers: a Mean-Field Theory
Glenn H. Fredrickson, Henri Orland
We derive a general mean-field theory of inhomogeneous polymer dynamics; a theory whose form has been speculated and widely applied, but not heretofore derived. Our approach involv…
Coherent States Formulation of Polymer Field Theory
Xingkun Man, Kris T. Delaney, Michael C. Villet +2
We introduce a stable and efficient complex Langevin (CL) scheme to enable the first numerical simulations of the coherent-states (CS) formulation of polymer field theory. In contr…
Phase Separation in Symmetric Mixtures of Oppositely Charged Rodlike Polyelectrolytes
Rajeev Kumar, Debra Audus, Glenn H. Fredrickson
Phase separation in salt-free symmetric mixtures of oppositely charged rodlike polyelectrolytes is studied using quasi-analytical calculations. Stability analyses for the isotropic…
Thermoreversible Associating Polymer Networks: I. Interplay of Thermodynamics, Chemical Kinetics, and Polymer Physics
Robert S. Hoy, Glenn H. Fredrickson
Hybrid molecular dynamics/Monte Carlo simulations used to study melts of unentangled, thermoreversibly associating supramolecular polymers. In this first of a series of papers, we…
Complex coacervation: A field theoretic simulation study of polyelectrolyte complexation
Jonghoon Lee, Yuri O. Popov, Glenn H. Fredrickson
Using the complex Langevin sampling strategy, field theoretic simulations are performed to study the equilibrium phase behavior and structure of symmetric polycation-polyanion mixt…
Field-Theoretic Simulations of Polyelectrolyte Complexation
Yuri O. Popov, Jonghoon Lee, Glenn H. Fredrickson
We briefly discuss our recent field-theoretic study of polyelectrolyte complexation, which occurs in solutions of two oppositely charged polyelectrolytes. Charged systems require t…
Numerical Method for Hydrodynamic Transport of Inhomogeneous Polymer Melts
David M. Hall, Turab Lookman, Glenn H. Fredrickson +1
We introduce a mesoscale method for simulating hydrodynamic transport and self assembly of inhomogeneous polymer melts in pressure driven and drag induced flows. This method extend…
Hydrodynamic Self-Consistent Field Theory for Inhomogeneous Polymer Melts
David M. Hall, Turab Lookman, Glenn H. Fredrickson +1
We introduce a mesoscale technique for simulating the structure and rheology of block copolymer melts and blends in hydrodynamic flows. The technique couples dynamic self consisten…