title: A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation.
abstract: Coarse grained simulation approaches provide powerful tools for the prediction of the equilibrium properties of polymeric systems. Recent efforts have sought to develop coarse-graining strategies capable of predicting the non-equilibrium behavior of entangled polymeric materials. Slip-link and slip-spring models, in particular, have been shown to be capable of reproducing several key aspects of the linear response and rheology of polymer melts. In this work, we extend a previously proposed multi-chain slip-spring model in a way that correctly incorporates the effects of the fluctuating environment in which polymer segments are immersed. The model is used to obtain the equation of state associated with the slip-springs, and the results are compared to those of related numerical approaches and an approximate analytical expression. The model is also used to examine a polymer melt confined into a thin film, where an inhomogeneous distribution of polymer segments is observed, and the corresponding inhomogeneities associated with density fluctuations are reflected on the spatial slip-spring distribution.
authors.affiliation: Materials Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA.
authors.forename: Abelardo
authors.initials: A
authors.lastname: Ramírez-Hernández
authors.affiliation: Institute for Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, USA.
authors.forename: Brandon L
authors.initials: BL
authors.lastname: Peters
authors.affiliation: Institut für Theoretische Physik, Georg-August-Universität, 37077 Göttingen, Germany.
authors.forename: Ludwig
authors.initials: L
authors.lastname: Schneider
authors.affiliation: Institute for Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, USA.
authors.forename: Marat
authors.initials: M
authors.lastname: Andreev
authors.affiliation: Center for Molecular Study of Condensed Soft Matter, Illinois Institute of Technology, Chicago, Illinois 60616, USA.
authors.forename: Jay D
authors.initials: JD
authors.lastname: Schieber
authors.affiliation: Institut für Theoretische Physik, Georg-August-Universität, 37077 Göttingen, Germany.
authors.forename: Marcus
authors.initials: M
authors.lastname: Müller
authors.affiliation: Materials Science Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA.
authors.forename: Juan J
authors.initials: JJ
authors.lastname: de Pablo