A thermodynamically admissible reptation model for fast flows of entangled polymers

The primary purpose of this paper is to introduce the effect of chain stretching into a previously developed, thermodynamically admissible reptation model incorporating anisotropic tube cross sections, double reptation, and convective constraint release, while avoiding the independent alignment approximation. A second goal is the detailed illustration of the thermodynamic modeling approach. Two versions of the model with different stretching mechanisms are proposed, and the simpler one sheds new light on thermodynamically admissible reptation models without independent alignment. The stochastic reformulation of the new model, its simulation, its linear viscoelastic properties, its predictions for rapid double-step shear strains, and the model parameters are discussed in detail.

[1]  H. C. Öttinger.  GENERIC Formulation of Boltzmann’s Kinetic Equation , 1997 .

[2]  Hans Christian Öttinger,et al.  General projection operator formalism for the dynamics and thermodynamics of complex fluids , 1998 .

[3]  M. Doi.  Explanation for the 3.4-power law for viscosity of polymeric liquids on the basis of the tube model , 1983 .

[4]  van den Bhaa Ben Brule,et al.  Simulation of viscoelastic flows using Brownian configuration fields , 1997 .

[5]  G. Ianniruberto,et al.  On compatibility of the Cox-Merz rule with the model of Doi and Edwards , 1996 .

[6]  G. Ianniruberto,et al.  Open problems in tube models for concentrated polymers , 1999 .

[7]  R. Larson,et al.  A Molecular Theory for Fast Flows of Entangled Polymers , 1998 .

[8]  M. Doi.  Stress relaxation of polymeric liquids after double‐step strain , 1980 .

[9]  J. Ferry.  Viscoelastic properties of polymers , 1961 .

[10]  Miroslav Grmela,et al.  Dynamics and thermodynamics of complex fluids. I. Development of a general formalism , 1997 .

[11]  M. Doi.  Explanation for the 3.4 power law of viscosity of polymeric liquids on the basis of the tube model , 1981 .

[12]  R. Ketzmerick,et al.  Simulation of a Non-Markovian process modelling contour length fluctuation in the Doi-Edwards model , 1989 .

[13]  G. Marrucci,et al.  DYNAMICS OF ENTANGLEMENTS: A NONLINEAR MODEL CONSISTENT WITH THE COX-MERZ RULE , 1996 .

[14]  A. Beris,et al.  Thermodynamically consistent reptation model without independent alignment , 1999 .

[15]  D. S. Pearson,et al.  Erratum: Flow‐induced birefringence of concentrated polyisoprene solutions [J. Rheol. 33, 517 (1989)] , 1990 .

[16]  H. C. Öttinger,et al.  Calculation of viscoelastic flow using molecular models: the connffessit approach , 1993 .

[17]  Masao Doi,et al.  Molecular dynamics and rheological properties of concentrated solutions of rodlike polymers in isotropic and liquid crystalline phases , 1981 .

[18]  H. C. Öttinger,et al.  A new class of stochastic simulation models for polymer stress calculation , 1998 .

[19]  G. Marrucci,et al.  Stress tensor and stress-optical law in entangled polymers 1 Dedicated to Professor Marcel J. Croche , 1998 .

[20]  D. S. Pearson,et al.  Flow‐Induced Birefringence of Concentrated Polyisoprene Solutions , 1989 .

[21]  J. Schieber,et al.  A constant-contour-length reptation model without independent alignment or consistent averaging approximations for chain retraction , 1997 .

[22]  Miroslav Grmela,et al.  Dynamics and thermodynamics of complex fluids. II. Illustrations of a general formalism , 1997 .

[23]  D. Venerus,et al.  Segment connectivity, chain-length breathing, segmental stretch, and constraint release in reptation models. II. Double-step strain predictions , 1998 .

[24]  L. Archer,et al.  Differential constitutive equation for entangled polymers with partial strand extension , 1998 .

[25]  C. F. Curtiss,et al.  Thermal conductivity of dilute solutions of chainlike polymers , 1997 .

[26]  J. D. Cloizeaux.  Double reptation vs. simple reptation in polymer melts (Erratum) , 1988 .

[27]  S. Edwards,et al.  The Theory of Polymer Dynamics , 1986 .

[28]  Hans Christian Öttinger,et al.  Generalized Doi–Ohta model for multiphase flow developed via generic , 1999 .

[29]  Hans Christian Öttinger,et al.  Brownian configuration fields and variance reduced CONNFFESSIT , 1997 .