Asymptotic basis of the L closure for finitely extensible dumbbells in suddenly started uniaxial extension

Abstract This paper applies the recent L closure [G. Lielens, P. Halin, I. Jaumain, R. Keunings, V. Legat, J. Non-Newtonian Fluid Mech., 76 (1998), 249–279], which was originally developed for FENE dumbbells with fixed friction, to two alternative dumbbell models of polymers in a dilute solution undergoing uniaxial extension: (A) a linear-locked dumbbell with fixed friction and (B) a FENE dumbbell with variable friction. The simplified box-spike representation of the probability density function (PDF) – used for Model B to close conformational averages of nonlinear quantities in terms of a reduced set of state variables (moments of the PDF) – is justified through detailed asymptotic analysis (singular perturbations combined with multiple scales) of the Smoluchowski equation, in the limit of large extensibility parameter at fixed elongation rate. Both dumbbell models A and B are actually more amenable to the L closure than the FENE to which it had previously been applied. The resulting closure relations compare favorably with corresponding integrals of asymptotic or numerical PDF’s (the latter obtained via atomistic SPH simulations of the Smoluchowski equation). Example calculations show the L closure to yield reasonably accurate stress–extension curves, even for a moderate (dimensionless) limit of extension ( L = 4 ).

[1]  H. C. Öttinger A model of dilute polymer solutions with hydrodynamic interaction and finite extensibility. I. Basic equations and series expansions , 1987 .

[2]  L. G. Leal,et al.  Computational studies of the FENE dumbbell model with conformation-dependent friction in a co-rotating two-roll mill☆ , 1996 .

[3]  Vincent Legat,et al.  On the hysteretic behaviour of dilute polymer solutions in relaxation following extensional flow , 1999 .

[4]  Vincent Legat,et al.  New closure approximations for the kinetic theory of finitely extensible dumbbells 1 Dedicated to th , 1998 .

[5]  A. Szeri A deformation tensor model for nonlinear rheology of FENE polymer solutions , 2000 .

[6]  L. Nitsche,et al.  Atomistic SPH and a Link between Diffusion and Interfacial Tension , 2002 .

[7]  MA Martien Hulsen,et al.  On the selection of parameters in the FENE-P model , 1998 .

[8]  H. C. Öttinger,et al.  A comparison between simulations and various approximations for Hookean dumbbells with hydrodynamic interaction , 1989 .

[9]  Lewis E. Wedgewood A Gaussian closure of the second-moment equation for a hookean dumbbell with hydrodynamic interaction , 1989 .

[10]  P. Gennes Coil-stretch transition of dilute flexible polymers under ultrahigh velocity gradients , 1974 .

[11]  R. Tanner,et al.  Erratum: Stresses in dilute solutions of bead‐nonlinear‐spring macromolecules. I. Steady potential and plane flows , 1971 .

[12]  Patrick Ilg,et al.  Canonical Distribution Functions in Polymer Dynamics: I. Dilute Solutions of Flexible Polymers , 2002 .

[13]  R. Tanner Stresses in Dilute Solutions of Bead‐Nonlinear‐Spring Macromolecules. III. Friction Coefficient Varying with Dumbbell Extension , 1975 .

[14]  Patrick Ilg,et al.  Canonical distribution functions in polymer dynamics. (II). Liquid-crystalline polymers , 2003 .

[15]  R. Bird,et al.  On coil–stretch transitions in dilute polymer solutions , 1989 .

[16]  M. Bixon,et al.  Dynamics of polymer molecules in dilute solutions , 1973 .

[17]  E. Hinch,et al.  Do we understand the physics in the constitutive equation , 1988 .

[18]  R. Byron Bird,et al.  From molecular models to the solution of flow problems , 1988 .

[19]  E. J. Hinch,et al.  Mechanical models of dilute polymer solutions in strong flows , 1977 .

[20]  R. Tanner Stresses in Dilute Solutions of Bead‐Nonlinear‐Spring Macromolecules. II. Unsteady Flows and Approximate Constitutive Relations , 1975 .

[21]  Hans Christian Öttinger,et al.  Stochastic Processes in Polymeric Fluids , 1996 .

[22]  Q. Zhou,et al.  Cost-effective multi-mode FENE bead-spring models for dilute polymer solutions , 2004 .

[23]  Roland Keunings,et al.  On the Peterlin approximation for finitely extensible dumbbells , 1997 .

[24]  A. Peterlin Hydrodynamics of macromolecules in a velocity field with longitudinal gradient , 1966 .

[25]  H. R. Warner,et al.  Kinetic Theory and Rheology of Dilute Suspensions of Finitely Extendible Dumbbells , 1972 .

[26]  H. C. Öttinger,et al.  A model of dilute polymer solutions with hydrodynamic interaction and finite extensibility. II. Shear flows , 1988 .

[27]  Vincent Legat,et al.  The FENE-L and FENE-LS closure approximations to the kinetic theory of finitely extensible dumbbells , 1999 .

[28]  C. Gardiner Handbook of Stochastic Methods , 1983 .