Related papers: Transferable MARTINI Model of Poly(ethylene Oxide)
An ideal proton exchange membrane should only permeate protons and be leak tight for fuels. Graphene is impermeable to water and poorly conducting to protons. Here, we chemically functionalized monolayer graphene to install sulfophenylated…
In this work we attempt to elucidate the nature of conductivity in polymers by taking the acid-base doped polyaniline (PAni) polymer. We evaluate the PAni conductance by using realistic ab initio parameters and including decoherent…
We have developed a coarse-grained (CG) model of a polymer-clay system consisting of organically modified montmorillonite nanoclay as the nanoparticle in accordance with the MARTINI forcefield. We have used mechanical properties and…
Experimental results from mechanical viscoelastic as well as dielectric relaxation times were compared to theoretical expectations utilizing polymer scaling theory. Viscoelastic relaxation of a hydrogel at 33% relative humidity fabricated…
Streamer discharges can be used as a primary source of reactive species for plasma-assisted combustion. In this research we investigate positive streamers in a stoichiometric air-methane mixture at 1 bar and 300 K with a three-dimensional…
We provide a new proof for the global well-posedness of systems coupling fluids and polymers in two space dimensions. Compared to the well-known existing method based on the losing a priori estimates, our method is more direct and much…
A wide variation in the charge transport properties of poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT-PSS) films is attributed to the degree of phase-segregation of the excess insulating polyanion. The results indicate that…
High entropy alloys (HEAs) are single phase crystals that consist of random solid solutions of multiple elements in approximately equal proportions. This class of novel materials have exhibited superb mechanical properties, such as high…
Dielectric spectroscopy measurements over a broad range of temperature and pressure were carried out on poly(oxybutylene) (POB), a type-A polymer (dielectrically-active normal mode). There are three dynamic processes appearing at lower…
As a model of soft confinement for polymers, we investigated equilibrium shapes of a flexible vesicle that contains a phase-separating polymer solution. To simulate such a system, we combined the phase field theory (PFT) for the vesicle and…
We show that simulations of polymer rheology at a fluctuating mesoscopic scale and at the macroscopic scale where flow instabilities occur can be achieved at the same time with dissipative particle dynamics (DPD) technique.} We model the…
Vitrimers - a class of polymer networks which are covalently crosslinked and insoluble like thermosets, but flow when heated like thermoplastics - contain dynamic links and/or crosslinks that undergo an associative exchange reaction. These…
Electrolytes as nanostructured materials are very attractive for batteries or other types of electronic devices. (PEO)8ZnCl2 polymer electrolytes and nanocomposites (PEO)8ZnCl2/TiO2 were prepared from PEO and ZnCl2 and with addition of TiO2…
Polyethylene naphthalate (PEN) foils have been demonstrated as a wavelength shifter suitable for operation in liquid argon. At the same time, wavelength shifting efficiency of technical grades of PEN, commercially available on the market,…
${}^3$He beam spin-echo experiments have been used to study surface morphology, molecular and atomic surface diffusion, phonon dispersions, phason dispersions and phase transitions of ionic liquids. However, the interactions between…
We derive a continuum-level plasticity model for polycrystalline materials in the high energy density regime, based on a single dislocation density and single mobility mechanism, with an evolution model for the dislocation density. The…
Certain sequences of peptoid polymers (synthetic analogs of peptides) assemble into bilayer nanosheets via a nonequilibrium assembly pathway of adsorption, compression, and collapse at an air-water interface. As with other large-scale…
With increasing water scarcity, membrane distillation technology has gained widespread attention as an innovative method for seawater desalination.However,existing studies often overlook the influence of membrane characteristics on mass…
The high order fluid model developed in the preceding paper is employed here to study the propagation of negative planar streamer fronts in pure nitrogen. The model consists of the balance equations for electron density, average electron…
Polymer additives [like polyethylene oxide (PEO)] are widely used for smooth electrode deposition in aqueous zinc and a number of other battery systems currently investigated for energy storage applications. However, the precise mechanism…