A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation

Ramírez-Hernández, Abelardo; Peters, Brandon L.; Schneider, Ludwig; Andreev, Marat; Schieber, Jay D.; Müller, Marcus; de Pablo, Juan J.

doi:10.1063/1.4972582

Title: A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation

Authors:

Ramírez-Hernández, Abelardo ^[1]; Peters, Brandon L. ^[2];

^[3]; Andreev, Marat ^[2]; Schieber, Jay D. ^[4]; Müller, Marcus ^[3]; de Pablo, Juan J. ^[1]

Materials Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA, Institute for Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, USA
Institute for Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, USA
Institut für Theoretische Physik, Georg-August-Universität, 37077 Göttingen, Germany
Center for Molecular Study of Condensed Soft Matter, Illinois Institute of Technology, Chicago, Illinois 60616, USA

Publication Date:: 2017-01-07

Sponsoring Org.:: USDOE

OSTI Identifier:: 1361707

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Name: Journal of Chemical Physics Journal Volume: 146 Journal Issue: 1; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics

Country of Publication:: United States

Language:: English

Citation Formats


                    Ramírez-Hernández, Abelardo, Peters, Brandon L., Schneider, Ludwig, Andreev, Marat, Schieber, Jay D., Müller, Marcus, and de Pablo, Juan J. A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation.  United States: N. p., 2017. 
Web.  doi:10.1063/1.4972582.

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                    Ramírez-Hernández, Abelardo, Peters, Brandon L., Schneider, Ludwig, Andreev, Marat, Schieber, Jay D., Müller, Marcus, & de Pablo, Juan J. A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation.  United States.  https://doi.org/10.1063/1.4972582

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                    Ramírez-Hernández, Abelardo, Peters, Brandon L., Schneider, Ludwig, Andreev, Marat, Schieber, Jay D., Müller, Marcus, and de Pablo, Juan J. Sat .  
"A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation".  United States.  https://doi.org/10.1063/1.4972582.

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@article{osti_1361707,

  title        = {A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation},

  author       = {Ramírez-Hernández, Abelardo and Peters, Brandon L. and Schneider, Ludwig and Andreev, Marat and Schieber, Jay D. and Müller, Marcus and de Pablo, Juan J.},

  abstractNote = {},

  doi          = {10.1063/1.4972582},

  journal      = {Journal of Chemical Physics},

  number       = 1,

  volume       = 146,

  place        = {United States},

  year         = {2017},

  month        = {1}

}

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Works referenced in this record:

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Title: A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation

Citation Formats

Fluctuations in entanglements of polymer liquids journal, March 2003

Studying Amphiphilic Self-assembly with Soft Coarse-Grained Models journal, September 2011

Computational Approaches for the Dynamics of Structure Formation in Self-Assembling Polymeric Materials journal, July 2013

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Self-Consistent Modeling of Constraint Release in a Single-Chain Mean-Field Slip-Link Model journal, October 2009

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Dynamical Simulations of Coarse Grain Polymeric Systems: Rouse and Entangled Dynamics journal, July 2013

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Single-Chain Slip-Link Model of Entangled Polymers: Simultaneous Description of Neutron Spin−Echo, Rheology, and Diffusion journal, July 2005

Translationally Invariant Slip-Spring Model for Entangled Polymer Dynamics journal, October 2012

Theoretically informed coarse grain simulations of polymeric systems journal, August 2009

Recovering the reptation dynamics of polymer melts in dissipative particle dynamics simulations via slip-springs journal, March 2013

Entangled Polymer Dynamics in Equilibrium and Flow Modeled Through Slip Links journal, June 2014

Entanglement Reduction and Anisotropic Chain and Primitive Path Conformations in Polymer Melts under Thin Film and Cylindrical Confinement journal, September 2014

Molecular Confinement Accelerates Deformation of Entangled Polymers During Squeeze Flow journal, October 2008

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Theory of inhomogeneous polymers: Fundamentals of the Gaussian random‐walk model journal, February 1975

Reptation of a Polymer Chain in the Presence of Fixed Obstacles journal, July 1971

Polymer–solid contacts described by soft, coarse-grained models journal, January 2011

A multichain polymer slip-spring model with fluctuating number of entanglements for linear and nonlinear rheology journal, December 2015

Accessible and Quantitative Entangled Polymer Rheology Predictions, Suitable for Complex Flow Calculations journal, February 2015

Monte Carlo Simulation of Coarse Grain Polymeric Systems journal, May 2009

Single-chain dynamics in a homogeneous melt and a lamellar microphase: A comparison between Smart Monte Carlo dynamics, slithering-snake dynamics, and slip-link dynamics journal, October 2008

Multi-chain slip-spring model for entangled polymer dynamics journal, October 2012

Linear Viscoelastic Predictions of a Consistently Unconstrained Brownian Slip-Link Model journal, May 2006

Local Polymer Dynamics and Diffusion in Cylindrical Nanoconfinement journal, March 2015

Fluctuations in entanglements of polymer liquids
journal, March 2003

Studying Amphiphilic Self-assembly with Soft Coarse-Grained Models
journal, September 2011

Computational Approaches for the Dynamics of Structure Formation in Self-Assembling Polymeric Materials
journal, July 2013

Confinement Effects on Chain Entanglement in Free-Standing Polystyrene Ultrathin Films
journal, July 2011

Self-Consistent Modeling of Constraint Release in a Single-Chain Mean-Field Slip-Link Model
journal, October 2009

High-order sampling schemes for path integrals and Gaussian chain simulations of polymers
journal, May 2015

Dynamical Simulations of Coarse Grain Polymeric Systems: Rouse and Entangled Dynamics
journal, July 2013

Spatial distribution of entanglements in thin free-standing films
journal, July 2016

Single-Chain Slip-Link Model of Entangled Polymers: Simultaneous Description of Neutron Spin−Echo, Rheology, and Diffusion
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Translationally Invariant Slip-Spring Model for Entangled Polymer Dynamics
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Theoretically informed coarse grain simulations of polymeric systems
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Recovering the reptation dynamics of polymer melts in dissipative particle dynamics simulations via slip-springs
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Entangled Polymer Dynamics in Equilibrium and Flow Modeled Through Slip Links
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Entanglement Reduction and Anisotropic Chain and Primitive Path Conformations in Polymer Melts under Thin Film and Cylindrical Confinement
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Theoretically informed entangled polymer simulations: linear and non-linear rheology of melts
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Theory of inhomogeneous polymers: Fundamentals of the Gaussian random‐walk model
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