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Adhesion between graphite and modified polyester surfaces: a theoretical study.
TLDR
The theoretical results suggest one mechanism to reduce adhesion to carbonaceous solids is to increase atomic roughness using strongly hydrophilic or alternatively strongly Hydrophobic substituents.
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Simulations of Nanoindentation of Polymer Surfaces: Effects of Surface Cross-Linking on Adhesion and Hardness
We present a simulation methodology to chemically cross-link the surface of fully atomistic models of polymers. We simulated nanoindentation of the cross-linked model surfaces whereby nanoparticles…
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Effect of Surface Composition and Atomic Roughness on Interfacial Adhesion between Polyester and Amorphous Carbon
This theoretical study examines the adhesion of amorphous carbon to functionalized polyester surfaces. Several modifications to the polyester surface have been investigated including the addition of…
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Molecular Dynamics Study of Polyester Surfaces and Fullerene Particles in Aqueous Environment
We present a molecular dynamics study of the interaction of fullerene (C60) with polyester surfaces in water. Three different polyester surfaces are studied, including untreated polyester…
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Direct dry transfer of chemical vapor deposition graphene to polymeric substrates
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Nanoscale wetting and fouling resistance of functionalized surfaces: a computational approach.
TLDR
The results reveal that the fouling-release efficiency is enhanced when PEG chains are grafted onto hard hydrophilic substrates such as silica in contrast to deformable polymer substrates where surface modifications are effectively mitigated during interfacial contact with a hard contaminant.
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Molecular mapping of poly(methyl methacrylate) super-helix stereocomplexes† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c4sc02971b
The structure of the it-/st-poly(methyl methacrylate) (PMMA) triple-helix stereocomplex is composed of a double helix of it-PMMA of 9 units per turn surrounded by a single helix of st-PMMA with an…
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Effect of substrate on the mechanical response and adhesion of PEGylated surfaces: insights from all-atom simulations.
TLDR
The results explain the molecular basis of the mechanical response of PEG when grafted onto hard and soft substrates and provide a rationale for surface protection using PEG.
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Effect of aging on interfacial adhesion between polyester and carbon-based particles: A classical molecular dynamics study
This study uses classical molecular dynamics to examine how aging (relaxation) of functionalized polyester surfaces effects their adhesion to carbon particles. We show that relaxation leads to…
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Stereospecific cyclic poly(methyl methacrylate) and its topology-guided hierarchically controlled supramolecular assemblies
In this study, the stereocomplexation between a novel stereospecific cyclic vinyl polymer, that is, cyclic syndiotactic poly(methyl methacrylate) (st-PMMA), with the complementary linear isotactic…
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