Nanorheology of Entangled Polymer Melts

Ge, Ting; Grest, Gary S.; Rubinstein, Michael

doi:10.1103/PhysRevLett.120.057801

Title: Nanorheology of Entangled Polymer Melts

Abstract

In this study, we use molecular simulations to probe the local viscoelasticity of an entangled polymer melt by tracking the motion of embedded nonsticky nanoparticles (NPs). As in conventional microrheology, the generalized Stokes-Einstein relation is employed to extract an effective stress relaxation function G_GSE(t) from the mean square displacement of NPs. G_GSE(t) for different NP diameters d are compared with the stress relaxation function G(t) of a pure polymer melt. The deviation of G_GSE(t) from G(t) reflects the incomplete coupling between NPs and the dynamic modes of the melt. For linear polymers, a plateau in G_GSE(t) emerges as d exceeds the entanglement mesh size a and approaches the entanglement plateau in G(t) for a pure melt with increasing d. For ring polymers, as d increases towards the spanning size R of ring polymers, G_GSE(t) approaches G(t) of the ring melt with no entanglement plateau.

Authors:

Ge, Ting ^[1]; Grest, Gary S. ^[2]; Rubinstein, Michael ^[1]

Univ. of North Carolina, Chapel Hill, NC (United States). Department of Chemistry
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Publication Date:: Thu Feb 01 00:00:00 EST 2018

Research Org.:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC)

OSTI Identifier:: 1430900

Alternate Identifier(s):: OSTI ID: 1419116

Report Number(s):: SAND-2018-0707J
Journal ID: ISSN 0031-9007; PRLTAO; 660141; TRN: US1802636

Grant/Contract Number:: AC04-94AL85000; AC02-05CH11231; NA0003525

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Volume: 120; Journal Issue: 5; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Ge, Ting, Grest, Gary S., and Rubinstein, Michael. Nanorheology of Entangled Polymer Melts.  United States: N. p., 2018. 
Web.  doi:10.1103/PhysRevLett.120.057801.

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                    Ge, Ting, Grest, Gary S., & Rubinstein, Michael. Nanorheology of Entangled Polymer Melts.  United States.  https://doi.org/10.1103/PhysRevLett.120.057801

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                    Ge, Ting, Grest, Gary S., and Rubinstein, Michael. Thu .  
"Nanorheology of Entangled Polymer Melts".  United States.  https://doi.org/10.1103/PhysRevLett.120.057801.  https://www.osti.gov/servlets/purl/1430900.

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@article{osti_1430900,

  title        = {Nanorheology of Entangled Polymer Melts},

  author       = {Ge, Ting and Grest, Gary S. and Rubinstein, Michael},

  abstractNote = {In this study, we use molecular simulations to probe the local viscoelasticity of an entangled polymer melt by tracking the motion of embedded nonsticky nanoparticles (NPs). As in conventional microrheology, the generalized Stokes-Einstein relation is employed to extract an effective stress relaxation function GGSE(t) from the mean square displacement of NPs. GGSE(t) for different NP diameters d are compared with the stress relaxation function G(t) of a pure polymer melt. The deviation of GGSE(t) from G(t) reflects the incomplete coupling between NPs and the dynamic modes of the melt. For linear polymers, a plateau in GGSE(t) emerges as d exceeds the entanglement mesh size a and approaches the entanglement plateau in G(t) for a pure melt with increasing d. For ring polymers, as d increases towards the spanning size R of ring polymers, GGSE(t) approaches G(t) of the ring melt with no entanglement plateau.},

  doi          = {10.1103/PhysRevLett.120.057801},

  journal      = {Physical Review Letters},

  number       = 5,

  volume       = 120,

  place        = {United States},

  year         = {Thu Feb 01 00:00:00 EST 2018},

  month        = {Thu Feb 01 00:00:00 EST 2018}

}

Copy to clipboard

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https://doi.org/10.1103/PhysRevLett.120.057801

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Cited by: 25 works

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Figures / Tables:

FIG. 1: G_GSE(t) (open squares) for d = 5σ in linear polymers with N = 800. The corresponding 〈 ∆r²(t) 〉 is shown in the inset (see black line). The log-log slope α = 2 for the ballistic regime and α = 1 for the Fickian regime are indicated. Themore »

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Works referencing / citing this record:

Investigation of the properties of nanographene in polymer nanocomposites through molecular simulations: dynamics and anisotropic Brownian motion
journal, January 2019

Rissanou, Anastassia N.; Bačová, Petra; Harmandaris, Vagelis
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A practical method to account for random phase approximation effects on the dynamic scattering of multi-component polymer systems
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Optical Tweezers Microrheology Maps the Dynamics of Strain-Induced Local Inhomogeneities in Entangled Polymers
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Khan, Manas; Regan, Kathryn; Robertson-Anderson, Rae M.
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Optical tweezers microrheology maps the dynamics of strain-induced local inhomogeneities in entangled polymers
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Khan, Manas; Regan, Kathryn; Robertson-Anderson, Rae M.
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Title: Nanorheology of Entangled Polymer Melts

Abstract

Citation Formats

Figures / Tables:

Static and dynamic properties of large polymer melts in equilibrium journal, April 2016

Estimating the viscoelastic moduli of complex fluids using the generalized Stokes-Einstein equation journal, August 2000

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