Dynamics of adsorbed polymers on attractive homogeneous surfaces

Yang, Qinghui; Luo, Meng‐Bo

doi:10.1038/srep37156

Cited by 21 publications

(5 citation statements)

References 62 publications

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“…The results show that the diffusion of polymer is dependent on the conformation of polymer, in agreement with previous Monte Carlo simulation. It was found that the diffusion coefficient of polymer was low for a compact conformation in solution or on flat surface [26]. We have also checked the effect of NP's size on the diffusive property of polymer chain at the same concentration of NPs.…”

Section: Resultsmentioning

confidence: 99%

Statistical Properties of a Polymer Chain in the Environment with Low Concentration of Nanoparticles

Tsehay

Luo

2018

Acta Phys. Pol. A

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We have investigated the statistical properties of polymer in the environment with low concentration of nanoparticles by using large-scale molecular dynamics simulations. The scaling law for the mean square radius of gyration was examined and simulation results for the polymer lengths 64 ≤ N ≤ 144 yielding a reasonably accurate value of the Flory exponent ν = 0.58 at weak polymer-nanoparticle interaction εPN. Within the same range of N , the mean asphericity of the chain is independent of N . We found that the polymer behaves like a self-avoiding walk chain at small εPN and a compact sphere at large εPN. The results are attributed to the increase in the contact between polymer and nanoparticles with increasing εPN. Normal diffusions of polymer are always observed at whatever εPN and size and concentration of nanoparticles. Our result shows that the normal diffusion behavior of polymer is independent of polymer's state even though there is a phase transition from a desorbed polymer phase at small εPN to an adsorbed polymer phase at large εPN.

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Section: Resultsmentioning

confidence: 99%

Statistical Properties of a Polymer Chain in the Environment with Low Concentration of Nanoparticles

Tsehay

Luo

2018

Acta Phys. Pol. A

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“…The adsorption of polymers onto a planar surface has been studied for several decades [1][2][3][4][5][6][7][8], not only because it is of long-standing interest in polymer physics, but also because it is important in biological interactions [9][10][11]. While early researches focus more on polymers adsorbed on flat rigid surfaces [1,2,7], polymer adsorption on heterogeneous surface attracts more interest [4,5,8,12,13], as many naturally occurring surfaces are energetically inhomogeneous [4]. Chang et al [14] observed that λ-DNA molecules exhibit sub-diffusion on supported cationic lipid membranes by fluorescence microscopy.…”

Section: Introductionmentioning

confidence: 99%

Anomalous Diffusion of Polyelectrolyte Segments on Supported Charged Lipid Bilayers

Zhao

Chu

et al. 2023

Entropy

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This work provides mesoscale models for the anomalous diffusion of a polymer chain on a heterogeneous surface with rearranging randomly distributed adsorption sites. Both the “bead-spring” model and oxDNA model were simulated on supported lipid bilayer membranes with various molar fractions of charged lipids, using Brownian dynamics method. Our simulation results demonstrate that “bead-spring” chains exhibit sub-diffusion on charged lipid bilayers which agrees with previous experimental observations for short-time dynamics of DNA segments on membranes. In addition, the non-Gaussian diffusive behaviors of DNA segments have not been observed in our simulations. However, a simulated 17 base pairs double stranded DNA, using oxDNA model, performs normal diffusion on supported cationic lipid bilayers. Due to the number of positively charged lipids attracted by short DNA is small, the energy landscape that the short DNA experiences during diffusion is not as heterogeneous as that experienced by long DNA chains, which results in normal diffusion rather than sub-diffusion for short DNA.

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“…Previous simulation studies have mainly concentrated on polymer adsorption to flat or crystalline surfaces. ,− However, surface roughness and chemical heterogeneity are expected to play critical roles in determining interfacial properties. Studies that have compared polymer adsorption onto different surfaces have demonstrated marked differences in the polymer–solid interfacial structure, such as the local polymer density at the interface and orientation of vinyl functional groups .…”

Section: Introductionmentioning

confidence: 99%

Effect of Poly(vinyl butyral) Comonomer Sequence on Adhesion to Amorphous Silica: A Coarse-Grained Molecular Dynamics Study

Walker

Genzer

Santiso

2020

ACS Appl. Mater. Interfaces

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Modulating a comonomer sequence, in addition to the overall chemical composition, is the key to unlocking the true potential of many existing commercial copolymers. We employ coarse-grained molecular dynamics (MD) simulations to study the behavior of random-blocky poly(vinyl butyral-co-vinyl alcohol) (PVB) melts in contact with an amorphous silica surface, representing the interface found in laminated safety glass. Our two-pronged coarse-graining approach utilizes both macroscopic thermophysical data and all-atom MD simulation data. Polymer–polymer nonbonded interactions are described by the fused-sphere SAFT-γ Mie equation of state, while bonded interactions are derived using Boltzmann inversion to match the bond and angle distributions from all-atom PVB chains. Spatially dependent polymer–surface interactions are mapped from a hydroxylated all-atom amorphous silica slab model and all-atom monomers to an external potential acting on the coarse-grained sites. We discovered an unexpected complex relationship between the blockiness parameter and the adhesion energy. The adhesion strength between PVB copolymers with intermediate VA content and silica was found to be maximal for random-blocky copolymers with a moderately high degree of blockiness rather than for diblock copolymers. We attribute this to two main factors: (1) changes in morphology, which dramatically alter the number of VA beads interacting with the surface and (2) a non-negligible contribution of vinyl butyral (VB) monomers to adhesion energy because of their preference to adsorb to zones with low hydroxyl density on the silica surface.

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Dynamics of adsorbed polymers on attractive homogeneous surfaces

Cited by 21 publications

References 62 publications

Statistical Properties of a Polymer Chain in the Environment with Low Concentration of Nanoparticles

Statistical Properties of a Polymer Chain in the Environment with Low Concentration of Nanoparticles

Anomalous Diffusion of Polyelectrolyte Segments on Supported Charged Lipid Bilayers

Effect of Poly(vinyl butyral) Comonomer Sequence on Adhesion to Amorphous Silica: A Coarse-Grained Molecular Dynamics Study

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