90 research outputs found
Simulation of Entangled Polymer Solutions
We present a computer simulation of entangled polymer solutions at
equilibrium. The chains repel each other via a soft Gaussian potential,
appropriate for semi-dilute solutions at the scale of a correlation blob. The
key innovation to suppress chain crossings is to use a pseudo-continuous model
of a backbone which effectively leaves no gaps between consecutive points on
the chain, unlike the usual bead-and-spring model. Our algorithm is
sufficiently fast to observe the entangled regime using a standard desktop
computer. The simulated structural and mechanical correlations are in fair
agreement with the expected predictions for a semi-dilute solution of entangled
chains
The Effect of Alginate Composition on Adsorption to Calcium Carbonate Surfaces
Bacterial anchoring to limestone rocks is thought to occur by selective adsorption of biomolecules found in the extracellular matrix, such as polysaccharides. Here we study the adsorbed structure of a model matrix polysaccharide, sodium alginate, at the calcite/water interface using neutron reflection (NR). Sodium alginate was found to form highly hydrated layers extending up to 350 Ă… into solution at concentrations up to 2.5 ppm (the inflection point of the adsorption isotherm). The adsorption of alginate was driven by dissolution of the calcite surface through complexation of free calcium ions. This was shown using two alginates with differing ratios of sugar residues. Alginates with a higher proportion of guluronic acid (G) have a higher affinity for calcium ions and were found to cause the surface to dissolve to a greater extent and to adsorb more at the surface when compared to alginates with a higher proportion of mannuronic acid (M). Adding magnesium to the high G alginate solution reduced dissolution of the surface and the adsorbed amount. In this work, we have shown that polysaccharide adsorption to sparingly soluble calcite interfaces is closely related to polymer conformation and affinity for free calcium ions in solution.Industr
Mixing in PCBM/P3HT bilayers, using in situ and ex situ neutron reflectivity
In situ and ex situ neutron reflectivity is used to characterize annealed regioregular-P3HT/PCBM bilayers. In situ annealing of a 20 nm PCBM/35 nm P3HT bilayer at 170 °C reveals rapid mixing of PCBM and P3HT to produce a polymer-rich layer that contains around 18–20% PCBM. Samples with three different thicknesses of P3HT layer are ex situ annealed at 140 °C. This again reveals migration of PCBM into the P3HT and vice versa, with the polymer-rich layer in the 20 nm PCBM/35 nm P3HT sample containing 19% PCBM. Complete migration of the entire PCBM layer into the P3HT layer is observed for a 20 nm PCBM/80 nm P3HT bilayer. The robustness of fitted model composition profiles, in comparison with real-space imaging of sample surface morphology and previous work on annealed P3HT/PCBM bilayer compositions, is discussed in detail
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Potassium, Calcium, and Magnesium Bridging of AOT to Mica at Constant Ionic Strength.
The bridging effect of a series of common cations between the anionic mica surface and the AOT anion has been studied in a condition of constant ionic strength and surfactant concentration. It was found that sodium ions did not show any bridging effect in this system; however, calcium, magnesium, and potassium all caused adsorption of the organic to the mica surface. The concentrations at which bridging occurred was probed, revealing that only a very low bridging cation concentration was required for binding. The bridged layer stability was also investigated, and the interaction was shown to be a weak one, with the bound layer in equilibrium with the species in the bulk and easily removed. Even maintaining ionic strength and bridging ion concentration was not sufficient to retain the layer when the free organic in solution was removed.We thank EPSRC and BP plc for the funding (RG8620) that made this work possible
Polymer brush collapse under shear flow
Shear responsive surfaces offer potential advances in a number of
applications. Surface functionalisation using polymer brushes is one route to
such properties, particularly in the case of entangled polymers. We report on
neutron reflectometry measurements of polymer brushes in entangled polymer
solutions performed under controlled shear, as well as coarse-grained computer
simulations corresponding to these interfaces. Here we show a reversible and
reproducible collapse of the brushes, increasing with the shear rate. Using two
brushes of greatly different chain lengths and grafting densities, we
demonstrate that the dynamics responsible for the structural change of the
brush are governed by the free chains in solution rather than the brush itself,
within the range of parameters examined. The phenomenon of the brush collapse
could find applications in the tailoring of nanosensors, and as a way to
dynamically control surface friction and adhesion
Solid Surface Structure Affects Liquid Order at the Polystyrene/SAM Interface
We present a combined x-ray and neutron reflectivity study characterizing the
interface between polystyrene (PS) and silanized surfaces. Motivated by the
large difference in slip velocity of PS on top of dodecyl-trichlorosilane (DTS)
and octadecyl-trichlorosilane (OTS) found in previous studies, these two
systems were chosen for the present investigation. The results reveal the
molecular conformation of PS on silanized silicon. Differences in the molecular
tilt of OTS and DTS are replicated by the adjacent phenyl rings of the PS. We
discuss our findings in terms of a potential link between the microscopic
interfacial structure and dynamic properties of polymeric liquids at
interfaces
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