Universality and speedup in equilibrium and nonlinear rheology predictions of the fixed slip-link model

Andreev, Marat; Feng, Hualong; Yang, Ling; Schieber, Jay D.

doi:10.1122/1.4869252

Cited by 31 publications

(42 citation statements)

References 25 publications

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“…The CFSM can describe well both equilibrium viscoelasticity and shear flow for linear and star-branched polymer melts. 25 The CFSM predictions are nearly identical to those of the DSM, and it offers significant computational savings. Figure 3 shows the WLF shift factors, a T (T), obtained from shifting the experimental linear viscoelastic G′ and G″ curves obtained at various low temperatures to the same reference temperature of 25°C using TTS for both the star, 24KS and the linear, 58KL samples.…”

Section: Macromoleculesmentioning

confidence: 71%

Challenging Tube and Slip-Link Models: Predicting the Linear Rheology of Blends of Well-Characterized Star and Linear 1,4-Polybutadienes

et al. 2016

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We compare predictions of two of the most advanced versions of the tube model, namely the "Hierarchical model" by Wang et al. [J. Rheol. 2010, 54, 223] and the BoB (branch-on-branch) model by Das et al. [J. Rheol. 2006, 50, 207], against linear viscoelastic G′ and G″ data of binary blends of nearly monodisperse 1,4-polybutadiene 4-arm star polymer of arm molar mass 24 000 g/mol with a monodisperse linear 1,4-polybutadiene of molar mass 58 000 g/mol. The star was carefully synthesized and characterized by temperature gradient interaction chromatography and by linear rheology over a wide frequency region through time−temperature superposition. We found large failures of both the Hierarchical and BoB models to predict the terminal relaxation behavior of the star/linear blends, despite their success in predicting the rheology of the pure star and pure linear polymers. This failure occurred regardless of the choices made concerning constraint release, such as assuming arm retraction in "fat" or "skinny" tubes. Allowing for "disentanglement relaxation" to cut off the constraint release Rouse process at long times does lead to improved predictions for our blends, but leads to much worse predictions for other star/linear blends described in the literature, especially those of Shivokhin et al. [Macromolecules 2014[Macromolecules , 47, 2451. In addition, our blends and those of Shivokhin et al. were also tested against a coarse-grained slip-link model, the "clustered fixed slip-link model (CFSM)" of Schieber and co-workers [J. Rheol. 2014, 58, 723], in which several Kuhn steps are clustered together for computational efficiency. The CFSM with only two molecular-weight-and chain-architecture-independent parameters was able to give very good agreement with all experimental data for both of these sets of blends. In light of its success, the CFSM slip-link model may be used to address the constraint release issue more rigorously and potentially help develop improved tube models.

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Section: Macromoleculesmentioning

confidence: 71%

Challenging Tube and Slip-Link Models: Predicting the Linear Rheology of Blends of Well-Characterized Star and Linear 1,4-Polybutadienes

et al. 2016

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“…[15][16][17][18][19] Recently a mean-field coarse-grained model where chains are represented as random walks of a particular step length has been applied to predict the nonlinear viscoelastic response of star melts with a small number of entangled arms, i.e., f = 4. 20 However, the RaPiD algorithm, with its particular coarse-grain approach, can serve as a bridge between polymers (low f) and colloids (high f) and additionally predict the response of both unentangled and entangled polymer systems. This combination underlines the strength of the RaPiD approach and is tested here with new experimental data on the linear and the nonlinear viscoelastic response of a polystyrene (PS) star melt.…”

Section: Introductionmentioning

confidence: 99%

A computational and experimental study of the linear and nonlinear response of a star polymer melt with a moderate number of unentangled arms

Fitzgerald

Lentzakis

Σακελλαρίου

et al. 2014

The Journal of Chemical Physics

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We present from simulations and experiments results on the linear and nonlinear rheology of a moderate functionality, low molecular weight unentangled polystyrene (PS) star melt. The PS samples were anionically synthesized and close to monodisperse while their moderate functionality ensures that they do not display a pronounced core effect. We employ a highly coarse-grained model known as Responsive Particle Dynamics where each star polymer is approximated as a point particle. The eliminated degrees of freedom are used in the definition of an appropriate free energy as well as describing the transient pair-wise potential between particles that accounts for the viscoelastic response. First we reproduce very satisfactorily the experimental moduli using simulation. We then consider the nonlinear response of the same polymer melts by implementing a start-up shear protocol for a wide range of shear rates. As in experiments, we observe the development of a stress overshoot with increasing shear rate followed by a steady-state shear stress. We also recover the shear-thinning nature of the melt, although we slightly overestimate the extent of shear-thinning with simulations. In addition, we study relaxations upon the removal of shear where we find encouraging agreement between experiments and simulations, a finding that corroborates our agreement for the linear rheology.

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“…55,56) More recently, a more coarse-grained version of the DSM, called the clustered fixed SL model (CFSM), was developed by clustering several Kuhn steps of the DSM into a blob. 57) The CFSM can give rheological predictions equivalent to those of the DSM with a lower computational cost.…”

Section: Mesoscale Simulation Modelsmentioning

confidence: 99%

A Review on Transport Phenomena of Entangled Polymeric Liquids

Sato

2020

J. Soc. Rheol., Jpn

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This review article focuses on the transport phenomena of entangled polymeric liquids. The study of transport phenomena is one of the fundamental fields in chemical engineering, which addresses the transport of mass, momentum, and energy. For simple transport cases, such as the flow of a Newtonian fluid, the methodology of transport phenomena has been established. However, for an entangled polymeric liquid, which is an example of a viscoelastic liquid, various problems remain due to the various time and length scales involved. In this review article, we summarize studies of entangled polymeric liquids for problems on different time and length scales and multiscale problems that connect different scales.

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Universality and speedup in equilibrium and nonlinear rheology predictions of the fixed slip-link model

Cited by 31 publications

References 25 publications

Challenging Tube and Slip-Link Models: Predicting the Linear Rheology of Blends of Well-Characterized Star and Linear 1,4-Polybutadienes

Challenging Tube and Slip-Link Models: Predicting the Linear Rheology of Blends of Well-Characterized Star and Linear 1,4-Polybutadienes

A computational and experimental study of the linear and nonlinear response of a star polymer melt with a moderate number of unentangled arms

A Review on Transport Phenomena of Entangled Polymeric Liquids

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