Dynamic simulation of freely draining flexible polymers in steady linear flows

Journal of Fluid Mechanics

Volumn 334, Issue , 1997, Pages 251-291

  Doyle, Patrick S ^a   Shaqfeh, Eric S G ^a   Gast, Alice P ^a  

^a Stanford University ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BIREFRINGENCE; BROWNIAN MOVEMENT; COMPUTER SIMULATION; MATHEMATICAL MODELS; POLYMERS; RANDOM PROCESSES; RHEOLOGY; SHEAR FLOW; SOLUTIONS; VISCOSITY OF LIQUIDS;

BROWNIAN STRESS; KRAMERS BEAD ROD CHAINS; STRESS OPTIC LAW; VISCOUS STRESS;

NON NEWTONIAN LIQUIDS;

POLYMERS; SIMULATION-DYNAMIC; STEADY FLOW;

EID: 0031103313     PISSN: 00221120     EISSN: None     Source Type: Journal    
DOI: 10.1017/S0022112096004302     Document Type: Article

References (45)

1. ACIERNO, D., TITOMANLIO, G. & MARRUCCI, G. 1974 Dilute solution rheology of flexible macro. molecules. J. Polymer Sci., 12, 2177-2187.
2. ALLEN, M. P. & TILDESLEY, D. J. 1987 Computer Simulation of Liquids. Clarendon Press.
3. BIRD, R. B., CURTISS, C. F., ARMSTRONG, R. C. & HASSAGER, O. 1987 Dynamics of Polymeric Liquids. Volume 2, Kinetic Theory. John Wiley and Sons.
4. DOI, M. 1990 Effects of Viscoelasticity on Polymer Diffusion. In Dynamics and Patterns in Complex Fluids: New Aspects of Physics and Chemistry of Interfaces (ed. A. Onuki & K. Kawasaki). Springer.
5. DOI, M. & EDWARDS, S. F. 1986 The Theory of Polymer Dynamics. Oxford Science Publications.
6. DOYLE, P. S., SHAQFEH, E. S. G. & GAST, A. P. 1997 Dynamic simulation of polymers in transient linear flows. (In preparation).
7. ERMAK, D. L. & MCCAMMON, J. A. 1978 Brownian dynamics with hydrodynamic interactions. J. Chem. Phys. 69, 1352-1360.
8. FIXMAN, M. 1978 Simulation of polymer dynamics. i. general theory. J. Chem. Phys. 69, 1527-1537.
9. FLORY, P. J. 1989 Statistical Mechanics of Chain Molecules. Oxford University Press.
10. FULLER, G. G. 1990 Optical rheometry. Ann. Rev. Fluid Mech. 22, 387-417.
11. GARDINER, C. W. 1985 Handbook of Stochastic Methods. Springer.
12. GRASSIA, P. S. & HINCH, E. J. 1996 Computer simulations of polymer chain relaxation via Brownian motion. J. Fluid Mech. 308, 255-288.
13. GRASSIA, P. S., HINCH, E. J. & NITSCHE, L. C. 1995 Computer simulations of Brownian motion of complex systems. J. Fluid Mech. 282, 373-403.
14. GUTH, E. & MARK, H. 1934 Internal molecular statistics, especially in chain molecules. I. Mh. Chem. 65, 93.
15. HASSAGER, O. 1974 Kinetic theory and rheology of bead-rod models for macromolecular solutions. i. equilibrium and steady flow. J. Chem. Phys. 60, 2111-2124.
16. HINCH, E. J. 1976a The distortion of a flexible inextensible thread in a shearing flow. J. Fluid Mech. 74, 317-333.
17. HINCH, E. J. 1976b The deformation of a nearly straight thread in a shearing flow with weak Brownian motions. J. Fluid Mech. 75, 765-775.
18. HINCH, E. J. 1994a Brownian motion with stiff bonds and rigid constraints. J. Fluid Mech. 271, 219-234.
19. HINCH, E. J. 1994b Uncoiling a polymer molecule in a strong extensional flow. J. Non-Newtonian Fluid Mech. 54, 209-230.
20. HINCH, E. J. & LEAL, L. G. 1972 The effect of Brownian motion on the rheological properties of a suspension of non-spherical particles. J. Fluid Mech. 52, 683-712.
21. HIRSCHFELDER, C. F., CURTISS, C. W. & BIRD, R. B. 1964 Molecular Theory of Gases and Liquids. Wiley.
22. KANNAN, R. M. & KORNFIELD, J. A 1994 Stress-optical manifestations of molecular and microstructural dynamics in complex polymer melts. J. Rheol. 38, 1127-1150.
23. KRAMERS, H. A. 1946 The behaviour of macromolecules in inhomogeneous flows. J. Chem. Phys. 14, 415-424.
24. KRÖGER, M., LOOSE, W. & HESS, S. 1993 Rheology and structural changes of polymer melts via nonequilibrium molecular dynamics. J. Rheol. 37, 1057-1079.
25. KUHN, W. 1934 The shape of fibrous molecules in solution. Kolloidzschr. 68, 2.
26. KUHN, W. & GRUN, F. 1942 Relationships between elastic constants and stretching double refraction of highly elastic substances. Kolloid Z. 101, 248.
27. LARSON, R. G. 1988 Constitutive Equations for Polymer Melts and Solutions. Butterworths.
28. LARSON, R. G. 1990 The unraveling of a polymer chain in a strong extensional flow. Rheol. Acta 29, 371-384.
29. LIU, T. W. 1989 Flexible polymer chain dynamics and rheological properties in steady flows. J. Chem. Phys. 90, 5826-5842.
30. MCQUARRIE, D. A. 1973 Statistical Thermodynamics. University Science Books.
31. MILNER, S. T. 1991 Hydrodynamics of semidilute polymer solutions. Phys. Rev. Lett. 66, 1477-1480.
32. MÜLLER-PLATHE, F., ROGERS, S. C. & VAN GUNSTEREN, W. F. 1992 Computational evidence for anomalous diffusion of small molecules in amorphous polymers. Chem. Phys. Lett. 199, 237-243.
33. ÖTTINGER, H. C. 1994 Brownian dynamics of rigid polymer chains with hydrodynamic interactions. Phys. Rev. E 50, 2696-2701.
34. ÖTTINGER, H. C. 1995 Stochastic Processes In Polymeric Fluids. Springer.
35. RALLISON, J. M. & HINCH, E. J. 1988 Do we understand the physics in the constitutive equation? J. Non-Newtonian Fluid Mech. 29, 37-55.
36. RAMANATHAN, R., HEADLEY, D. L. & LAI, S. Y. 1995 Extensional viscosity of polyolefins via flow visualization. ANTEC Conf. Proc. 1, 1073-1077.
37. RUSSEL, W. B., SAVILLE, D. A. & SCHOWALTER, W. R. 1989 Colloidal Dispersions. Cambridge University Press.
38. RYCKAERT, J. P., CICCOTTI, G., & BERENDSEN, J. 1977 Numerical integration of the Cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes. J. Comput. Phys. 23, 327-341.
39. STEWART, W. E. & SORENSEN, J. P. 1972 Hydrodynamic interaction effects in rigid dumbbell suspensions. ii computations for steady shear flow. Trans. Soc. Rheol. 16, 1-13.
40. TALWAR, K. K. & KHOMAMI, B. 1995 Flow of viscoelastic fluids past periodic square arrays of cylinders: inertial and shear thinning viscosity and elasticity effects. J. Non-Newtonian Fluid Mech. 57, 177-202.
41. TRELOAR, L. R. G. 1975 The Physics of Rubber Elasticity, 3rd Edn. Clarendon Press.
42. WALES, J. L. S. 1976 The Application of Flow Birefringence to Rheological Studies of Polymer Melts. Delft University Press.
43. WARNER, H. R. 1972 Kinetic theory and rheology of dilute suspensions of finitely extendible dumbbells. Ind. Eng. Chem. Fundam. 11, 379-387.
44. MEDGEWOOD, L. E. & OSTROV, D. N. & BIRD, R. B. 1991 A finitely extensible bead-spring chain model for dilute polymer solutions. J. Non-Newtonian Fluid Mech. 40, 119-139.
45. XU, Z., KIM, S. & PABLO, J. J. DE 1994 Anisotropic friction and excluded volume effects in freely jointed bead-rod polymer chain models. J. Chem. Phys. 101, 5293-5304.