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

Authors:
 [1];  [2]; ORCiD logo [3];  [2];  [4];  [3];  [1]
  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
  2. Institute for Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, USA
  3. Institut für Theoretische Physik, Georg-August-Universität, 37077 Göttingen, Germany
  4. Center for Molecular Study of Condensed Soft Matter, Illinois Institute of Technology, Chicago, Illinois 60616, USA
Publication Date:
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.
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. doi:10.1063/1.4972582.
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. doi:10.1063/1.4972582.
@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}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1063/1.4972582

Citation Metrics:
Cited by: 4 works
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Works referenced in this record:

Fluctuations in entanglements of polymer liquids
journal, March 2003

  • Schieber, Jay D.
  • The Journal of Chemical Physics, Vol. 118, Issue 11
  • DOI: 10.1063/1.1553764

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

  • Rathfon, Jeremy M.; Cohn, Robert W.; Crosby, Alfred J.
  • Macromolecules, Vol. 44, Issue 13
  • DOI: 10.1021/ma1026324

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

  • Khaliullin, Renat N.; Schieber, Jay D.
  • Macromolecules, Vol. 42, Issue 19
  • DOI: 10.1021/ma900533s

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

  • Müser, Martin H.; Müller, Marcus
  • The Journal of Chemical Physics, Vol. 142, Issue 17
  • DOI: 10.1063/1.4919311

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

  • Ramírez-Hernández, Abelardo; Detcheverry, François A.; Peters, Brandon L.
  • Macromolecules, Vol. 46, Issue 15
  • DOI: 10.1021/ma400526v

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


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


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

  • Pike, Darin Q.; Detcheverry, François A.; Müller, Marcus
  • The Journal of Chemical Physics, Vol. 131, Issue 8
  • DOI: 10.1063/1.3187936

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

  • Langeloth, Michael; Masubuchi, Yuichi; Böhm, Michael C.
  • The Journal of Chemical Physics, Vol. 138, Issue 10
  • DOI: 10.1063/1.4794156

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

  • Sussman, Daniel M.; Tung, Wei-Shao; Winey, Karen I.
  • Macromolecules, Vol. 47, Issue 18
  • DOI: 10.1021/ma501193f

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


Numerical simulation of Gaussian chains near hard surfaces
journal, August 2010

  • Ramírez-Hernández, A.; Detcheverry, F. A.; de Pablo, J. J.
  • The Journal of Chemical Physics, Vol. 133, Issue 6
  • DOI: 10.1063/1.3457153

Theoretically informed entangled polymer simulations: linear and non-linear rheology of melts
journal, January 2013

  • Ramírez-Hernández, Abelardo; Müller, Marcus; de Pablo, Juan J.
  • Soft Matter, Vol. 9, Issue 6
  • DOI: 10.1039/c2sm26674a

Calculating the free energy of self-assembled structures by thermodynamic integration
journal, January 2008

  • Müller, Marcus; Daoulas, Kostas Ch.
  • The Journal of Chemical Physics, Vol. 128, Issue 2
  • DOI: 10.1063/1.2818565

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

  • Helfand, Eugene
  • The Journal of Chemical Physics, Vol. 62, Issue 3
  • DOI: 10.1063/1.430517

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

  • de Gennes, P. G.
  • The Journal of Chemical Physics, Vol. 55, Issue 2
  • DOI: 10.1063/1.1675789

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

  • Müller, Marcus; Steinmüller, Birger; Daoulas, Kostas Ch.
  • Physical Chemistry Chemical Physics, Vol. 13, Issue 22
  • DOI: 10.1039/c0cp02868a

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

  • Ramírez-Hernández, Abelardo; Peters, Brandon L.; Andreev, Marat
  • The Journal of Chemical Physics, Vol. 143, Issue 24
  • DOI: 10.1063/1.4936878

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

  • Andreev, Marat; Schieber, Jay D.
  • Macromolecules, Vol. 48, Issue 5
  • DOI: 10.1021/ma502525x

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

  • Uneyama, Takashi; Masubuchi, Yuichi
  • The Journal of Chemical Physics, Vol. 137, Issue 15
  • DOI: 10.1063/1.4758320

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

  • Nair, Deepa M.; Schieber, Jay D.
  • Macromolecules, Vol. 39, Issue 9
  • DOI: 10.1021/ma0519056

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