Brownian dynamics simulations of the stress and molecular configuration of polymers in exponential and linearly-ramped shear flow

Journal of Non-Newtonian Fluid Mechanics

Volumn 82, Issue 2-3, 1999, Pages 139-165

  Kwan, Thomas C B ^a   Shaqfeh, Eric S G ^a  

^a Stanford University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIREFRINGENCE; COMPUTER SIMULATION; HYSTERESIS; MOLECULAR DYNAMICS; OPTICAL PROPERTIES; POLYMERS; REFRACTIVE INDEX; RELAXATION PROCESSES; RHEOLOGY; SHEAR FLOW;

BROWNIAN DYNAMIC SIMULATIONS; LINEARLY RAMPED SHEAR FLOW; MOLECULAR CONFIGURATION;

BROWNIAN MOVEMENT;

BROWNIAN MOTION; POLYMER SOLUTION; SHEAR FLOW; START UP FLOW;

EID: 0033133687     PISSN: 03770257     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0377-0257(98)00168-2     Document Type: Article

References (52)

1. Doyle P.S., Shaqfeh E.S.G., McKinley G.H., Spiegelberg S.H. Relaxation of dilute polymer solutions following extensional flow. J. Non-Newtonian Fluid Mech. 76:1998;79-110.
2. Doyle P.S., Shaqfeh E.S.G. Dynamic simulation of freely-draining, flexible bead-rod chains: startup of extensional and shear flow. J. Non-Newtonian Fluid Mech. 76:1998;43-78.
3. Sridhar T. An overview of the project M1. J. Non-Newtonian Fluid Mech. 35:1990;85-92.
4. Tirtaatmadja V., Sridhar T. A filament stretching device for measurement of extensional viscosity. J. Rheol. 37:1993;1081-1102.
5. Larson R.G. The unravelling of a polymer in strong extensional flow. Rheol. Acta. 29:1990;371-384.
6. Hinch E.J. Uncoiling a polymer molecule in a strong extensional flow. J. Non-Newtonian Fluid Mech. 54:1994;209-230.
7. van Nieuwkoop J., Muller von Czernicki M.M.O. Elongation and subsequent relaxation measurements on dilute polyisobutylene solutions. J. Non-Newtonian Fluid Mech. 67:1996;105-123.
8. Spiegelberg S.H., McKinley G.H. Stress relaxation and elastic decohesion of viscoelastic polymer solutions in extensional flow. J. Non-Newtonian Fluid Mech. 67:1996;49-76.
9. Matta J.E., Tytus R.P. Liquid stretching using a falling cylinder. J. Non-Newtonian Fluid Mech. 35:1990;215-229.
10. Jones W.M., Hudson N.E., Ferguson J. The extensional properties of M1 obtained from the stretching of a filament by a falling pendant drop. J. Non-Newtonian Fluid Mech. 35:1990;263-276.
11. Sridhar T., Tirtaatmadja V., Nguyen D.A., Gupta R.k. Measurement of extensional viscosity of polymer solutions. J. Non-Newtonian Fluid Mech. 40:1991;271-280.
12. Shipman R.W.G., Denn M.M., Keunings R. Mechanics of the falling plate extensional rheometer. J. Non-Newtonian Fluid Mech. 40:1991;281-288.
13. Spiegelberg S.H., Ables D.C., McKinley G.H. The role of end-effects on measurements of extensional viscosity in filament stretching rheometers. J. Non-Newtonian Fluid Mech. 64:1996;229-267.
14. Gaudet S., Mckinley G.H., Stone H.A. Extensional deformation of Newtonian liquid bridges. Phys. Fluids. 8:1996;2568-2579.
15. Zhang X., Padgett R.S., Basaran O.A. Nonlinear deformation and breakup of stretching liquid bridges. J. Fluid Mech. 329:1996;207-245.
16. Solomon M.J., Muller S.J. The transient extensional behavior of polystyrene-based Boger fluids of varying solvent quality and molecular-weight. J. Rheol. 40:1996;837-856.
17. Kroger R., Rath H.J. Velocity and elongation rate distributions in stretched polymeric and Newtonian liquid bridges. J. Non-Newtonian Fluid Mech. 57:1995;137-153.
18. James D.F., Sridhar T. Molecular conformation during steady-state measurements of extensional viscosity. J. Rheol. 39:1995;713-724.
19. Ooi Y.W., Sridhar T. Uniaxial extension of a lyotropic liquid-crystalline polymer solution. Ind. Eng. Chem. Res. 33:1994;2368-2373.
20. Tirtaatmadja V., Sridhar T. Comparison of constitutive equations for polymer solutions in uniaxial extension. J. Rheol. 39:1995;1133-1160.
21. Orr N.V., Sridhar T. Stress relaxation in uniaxial extension. J. Non-Newtonian Fluid Mech. 67:1996;77-103.
22. Rallison J.M., Hinch E.J. Do we understand the physics in the constitutive equation? J. Non-Newtonian Fluid Mech. 29:1998;37-55.
23. Grassia P.S., Hinch E.J. Computer simulations of polymer chain relaxation via Brownian motion. J. Fluid Mech. 208:1996;255-288.
24. Lielens G., Halin P., Jaumain I., Keunings R., Legat V. New closure approximations for the kinetic theory of finitely extensible dumbbells. J. Non-Newtonian Fluid Mech. 76:1998;249-279.
25. R.G. Larson, Constitutive Equations for Polymer Melts and Solutions, Butterworth, London, 1987.
26. G.G. Fuller, Optical Rheometry of Complex Fluids, Oxford University Press, New York, 1995.
27. H. Janeschitz-Kreigl, Polymer melt rheology and flow birefringence, Springer, New York, 1983.
28. Talbott W.H., Goddard J.D. Streaming birefringence in extensional flow of polymer solutions. Rheol. Acta. 18:1979;507-517.
29. Doshi S.R., Dealy J.M. Exponential shear: a strong flow. J. Rheol. 31:1987;563-582.
30. Zülle B., Linster J.J., Meissner J., Hürlimann H.P. Deformation hardening and thinning in both elongation and shear of a low-density polyethylene melt. J. Rheol. 31:1987;583-598.
31. Yosick J.A., Giacomin A.J., Moldenaers P. A kinetic network model for nonlinear flow behavior of molten plastics in both shear and extension. J. Non-Newtonian Fluid Mech. 70:1997;103-123.
32. Demarquette N.R., Dealy J.M. Nonlinear viscoelasticity of concentrated polystyrene solutions: sliding plate rheometer studies. J. Rheol. 36:1992;1007-1031.
33. Schieber J.D., Wiest J.M. Molecular theory predictions of the exponential shear stress coefficient. J. Rheol. 33:1989;979-987.
34. Sivashinsky N., Tsai A.T., Moon T.J. Some new transient test results from a parallel-plate rheometer. J. Rheol. 28:1984;287-301.
35. R.B. Bird, C.F. Curtiss, R.C. Armstrong, O. Hassager, Dynamics of Polymeric Liquids: Kinetic Theory, Vol. 2, Wiley, New York, 1987.
36. M. Doi, S.F. Edwards, The Theory of Polymer Dynamics, Clarendon Press, Oxford, 1995.
37. Doyle P.S., Shaqfeh E.S.G., Gast A.P. Dynamic simulation of freely-draining, flexible polymers in steady linear flows. J. Fluid. Mech. 334:1997;251-291.
38. C.W. Gardiner, Handbook of Stochastic Methods, Springer, Berlin, 1985.
39. H.C. Öttinger, Stochastic processes in Polymeric Fluids, Springer, Berlin, 1995.
40. L.G. Leal, Laminar Flow and Convective Transport Processes, Butterworth-Heinemann, Boston, 1992.
41. Ryckaert J.P., Ciccotti G., Berendsen J. Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes. J. Comp. Phys. 23:1977;327-341.
42. Liu T.W. Flexible polymer chain dynamics and rheological properties in steady flows. J. Chem. Phys. 90:1989;5826-5842.
43. A.S. Lodge, Elastic Liquids, Academic Press, New York, 1964.
44. Lodge A.S., Meissner J. Comparison of network theory predictions with stress/time data in shear and elongation for a low-density polyethylene melt. Rheol. Acta. 12:1973;41-47.
45. Lodge A.S., Meissner J. On the use of instantaneous strains, superposed on shear and elongational flows of polymeric liquids, to test the Gaussian network hypothesis and to estimate the segment concentration and its variation during flow. Rheol. Acta. 11:1972;352-352.
46. Lodge A.S., Meissner J. Stress relaxation after a sudden shear strain. Rheol. Acta. 14:1975;664-665.
47. Hassager O., Pedersen S. Relations between shear and normal stresses in a step shear experiment. J. Non-Newtonian Fluid Mech. 4:1978;261-268.
48. Kuhn W., Grun F. Relationships between elastic constants and stretching double refraction of highly elastic substances. Kolloid Z. 101:1942;248.
49. James H.M., Guth E. Theory of elastic properties of rubber. J. Chem. Phys. 11:1943;455.
50. P.J. Flory, Principles of Polymer Chemistry, Cornell University Press, Ithaca, 1953.
51. L.R.G. Treloar, The Physics of Rubber Elasticity, 3rd ed., Oxford University Press, London, 1975.
52. Warner H.R. Kinetic theory and rheology of dilute suspensions of finitely extendible dumbbells. Ind. Eng. Chem. Fundamentals. 11:1972;379-387.