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

Journal Article · · Journal of Chemical Physics
DOI: https://doi.org/10.1063/1.4972582 · OSTI ID:1361707
 [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
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Sponsoring Organization:
USDOE
OSTI ID:
1361707
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 1 Vol. 146; ISSN 0021-9606
Publisher:
American Institute of PhysicsCopyright Statement
Country of Publication:
United States
Language:
English

References (28)

Studying Amphiphilic Self-assembly with Soft Coarse-Grained Models journal September 2011
Local Polymer Dynamics and Diffusion in Cylindrical Nanoconfinement journal March 2015
Single-Chain Slip-Link Model of Entangled Polymers:  Simultaneous Description of Neutron Spin−Echo, Rheology, and Diffusion journal July 2005
Linear Viscoelastic Predictions of a Consistently Unconstrained Brownian Slip-Link Model journal May 2006
Confinement Effects on Chain Entanglement in Free-Standing Polystyrene Ultrathin Films journal July 2011
Dynamical Simulations of Coarse Grain Polymeric Systems: Rouse and Entangled Dynamics journal July 2013
Entanglement Reduction and Anisotropic Chain and Primitive Path Conformations in Polymer Melts under Thin Film and Cylindrical Confinement journal September 2014
Accessible and Quantitative Entangled Polymer Rheology Predictions, Suitable for Complex Flow Calculations journal February 2015
Self-Consistent Modeling of Constraint Release in a Single-Chain Mean-Field Slip-Link Model journal October 2009
Polymer–solid contacts described by soft, coarse-grained models journal January 2011
Theoretically informed entangled polymer simulations: linear and non-linear rheology of melts journal January 2013
Fluctuations in entanglements of polymer liquids journal March 2003
Reptation of a Polymer Chain in the Presence of Fixed Obstacles journal July 1971
Calculating the free energy of self-assembled structures by thermodynamic integration journal January 2008
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
Theoretically informed coarse grain simulations of polymeric systems journal August 2009
Numerical simulation of Gaussian chains near hard surfaces journal August 2010
Theory of inhomogeneous polymers: Fundamentals of the Gaussian random‐walk model journal February 1975
Multi-chain slip-spring model for entangled polymer dynamics journal October 2012
Recovering the reptation dynamics of polymer melts in dissipative particle dynamics simulations via slip-springs journal March 2013
High-order sampling schemes for path integrals and Gaussian chain simulations of polymers journal May 2015
A multichain polymer slip-spring model with fluctuating number of entanglements for linear and nonlinear rheology journal December 2015
Translationally Invariant Slip-Spring Model for Entangled Polymer Dynamics journal October 2012
Spatial distribution of entanglements in thin free-standing films journal July 2016
Monte Carlo Simulation of Coarse Grain Polymeric Systems journal May 2009
Molecular Confinement Accelerates Deformation of Entangled Polymers During Squeeze Flow journal October 2008
Entangled Polymer Dynamics in Equilibrium and Flow Modeled Through Slip Links journal June 2014
Computational Approaches for the Dynamics of Structure Formation in Self-Assembling Polymeric Materials journal July 2013

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