Structure and dynamics of dilute polymer solutions under shear flow via nonequilibrium molecular dynamics

Macromolecules

Volumn 32, Issue 17, 1999, Pages 5660-5672

  Aust, C ^a   Kroger M ^a,b,c   Hess, S ^a  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^c ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL RELAXATION; COMPUTER SIMULATION; MOLECULAR STRUCTURE; POLYMERS; RHEOLOGY; SHEAR FLOW; SOLUTIONS; SOLVENTS;

FINITELY EXTENDABLE NONLINEAR ELASTIC; NONEQUILIBRIUM MOLECULAR DYNAMICS; POLYMER CHAIN; POLYMER MELTS;

MOLECULAR DYNAMICS;

EID: 0032598403     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma981683u     Document Type: Article

References (71)

1. Bird, R. B.; Hassager, O.; Armstrong, R. C.; Curtiss, C. F. Dynamics of Polymeric Liquids; John Wiley & Sons: New York, 1987; Vols. 1 and 2.
2. Janeschitz-Kriegl, H. J. Adv. Polym. Sci. 1969, 6, 170.
3. Peterlin, A. Annu. Rev. Fluid Mech. 1976, 8, 35.
4. Cottrell, F. R.; Merrill, E. W.; Smith, K. A. J. Polym. Sci. A-2 1969, 7, 1415.
5. (a) Link, A.; Zisenis, M.; Prötzl, B.; Springer, J. Makromol. Chem., Macromol. Symp. 1992, 61, 358.
6. (b) Zisenis, M.; Springer, J. Polymer 1995, 36, 3459.
7. (a) Lindner, P.; Oberthür, R. C. Coll. Polym. Sci. 1988, 266, 886.
8. (b) Lindner, P.; Oberthür, R. C. Physica B 1989, 156&157, 410.
9. Doi, M.; Edwards, S. F. The Theory of Polymer Dynamics; Clarendon Press: Oxford, 1986.
10. de Gennes, P.-G. Scaling Concepts in Polymer Physics; Cornell University Press: Ithaca, NY, 1979.
11. de Gennes, P.-G. Macromolecules 1976, 9, 587, 594.
12. des Cloizeaux, J.; Jannink, G. Polymers in Solution: Their Modelling and Structure; Clarondon: Oxford, 1990.
13. Hoover, W. G. Physica A 1993, 194, 450.
14. Kremer, K.; Grest, G. S. J. Chem. Phys. 1990, 92, 5057.
15. Dünweg, B.; Kremer, K. Phys. Rev. Lett. 1991, 61, 2996.
16. Dünweg, B.; Kremer, K. J. Chem. Phys. 1993, 99, 6983.
17. (a) Pierleoni, C.; Ryckaert, J.-P. Phys. Rev. Lett. 1991, 61, 2992.
18. (b) Pierleoni, C.; Ryckaert, J.-P. J. Chem. Phys. 1992, 96, 8539.
19. Pierleoni, C.; Ryckaert, J.-P. Macromolecules 1995, 28, 5097.
20. Hess, S. J. Non-Newtonian Fluid Mech. 1987, 23, 305.
21. Kröger, M.; Loose, W.; Hess, S. J. Rheol. 1993, 37, 1057.
22. Öttinger, H. C. Stochastic processes in polymeric fluids; Springer, Berlin, 1996.
23. López Cascales, J. J.; Navarro, S.; Garcia de la Torre, J. Macromolecules 1992, 25, 3574.
24. Knudsen, K. D.; Elgsaeter, A.; López Cascales, J. J.; Garcia de la Torre, J. Macromolecules 1993, 26, 3851.
25. (a) Carl, W. Modellrechnungen an Polymerlösungen im Schergefälle Ph.D. Thesis, D83, Technische Universität Berlin, 1992.
26. (b) Carl, W. Macromolecules 1993, 26, 557.
27. Weeks, J. D.; Chandler, D.; Andersen, H. C. J. Chem. Phys. 1971, 54, 5237.
28. Hess, S.; Kröger, M.; Voigt, H. Physica A 1998, 250, 58.
29. Warner, H. R. Ind. Eng. Chem. Fundam. 1972, 11, 379.
30. These values have been determined from the transition in zero-shear-rate of the power laws in NEMD simulations of polymer melts. See: Kröger, M. Rheology 95 1995, 5, 66.
31. Lees, A. W.; Edwards, S. F. J. Phys. C 1972, 5, 1921.
32. Hoover, W. G. Molecular Dynamics; Lecture Notes in Physics 258; Springer: New York, 1986.
33. Link, A. Konformation und Ausrichtung von Makromolekülen in der Scherströmung. Ph.D. Thesis, D83, Technische Universität Berlin, 1992.
34. Peterlin, A.; Heller, W.; Nakagaki, M. J. Chem. Phys. 1958, 28, 470.
35. (a) Ostwald, W. Kolloid-Z. 1925, 36, 99.
36. (b) de Waele, A. Oil Color Chem. Assoc. J. 1923, 6, 33.
37. Yasuda, K.; Armstrong, R. C.; Cohen, R. E. Rheol. Acta 1981, 20, 163.
38. Kirkwood, J. G.; Riseman, J. J Chem. Phys. 1948, 16, 565.
39. Hansen, J. P.; McDonald, I. R. Theory of simple liquids; Academic Press: London, 1986.
40. Staudinger, H. Ber. Dtsch. Chem. Ges. 1930, 63, 222.
41. Huggins, M. L. J. Chem. Phys. 1938, 42, 911.
42. Elias, H.-G. An Introduction to Polymer Science; Wiley-VCH: Weinheim, 1997.
43. Zimm, B. H. J. Chem. Phys. 1956, 24, 269.
44. Flory P. J. Statistical mechanics of chain molecules; Wiley-Interscience: NY, 1969.
45. Kuhn, W. Kolloid Z. 1934, 68, 2.
46. Bird, R. B.; Dotson, P. J.; Johnson, N. L. J. Non-Newton. Fluid Mech. 1980, 7, 213.
47. Carl, W. Macrom. Theory Simul. 1994, 3, 705.
48. Winkler, R. G. Analytical description of finite size effects for chain molecules in shear flow. Submitted, 1997.
49. Janeschitz-Kriegl, H. J. Polymer melt rheology and flow birefringence; Springer: Berlin, 1983.
50. (a) Bossart, J.; Öttinger, H. C. Macromolecules 1995, 28, 5852.
51. (b) Bossart, J.; Öttinger, H. C. Macromolecules 1997, 30, 5527.
52. (a) Kuhn, W. Kolloid Z. 1936, 76, 258.
53. (b) Kuhn, W. Kolloid Z. 1939, 87, 3.
54. (c) Kuhn, W.; Grün, F. Kolloid Z. 1942, 101, 248.
55. de Gennes, P.-G. The Physics of Liquid Crystals; Clarendon Press: Oxford, 1974.
56. Rouse, P. E. J. Chem. Phys. 1953, 21, 1272.
57. (a) Öttinger, H. C. J. Chem. Phys. 1987, 86, 3731.
58. (b) Öttinger, H. C. Phys. Rev. A 1989, 40, 2664.
59. Wang, S. Q. J. J. Chem. Phys. 1990, 92, 7618.
60. Schneggenburger, C.; Kröger, M.; Hess, S. J. Non-Newtonian Fluid Mech. 1996, 62, 235.
61. Muller, R.; Pesce, J. J.; Picot, C. Macromolecules 1993, 26, 4356.
62. Jeffrey, G. B. Proc. R. Soc. London, Ser. A 1922, 102, 161.
63. Peterlin, A.; Stuart, H. A. Hand-Jahrbuch d. Chem. Phys. 1943 8, 113.
64. Kuhn, W. Z. Phys. Chem. A 1932, 167, 1.
65. (a) Peterlin, A. Z. Phys. 1938, 111, 232.
66. (b) Peterlin, A.; Stuart, H. A. Z. Phys. 1939, 112, 1.
67. Debye, P. J. Chem. Phys. 1946, 14, 636.
68. Peterlin, A. J. Polym. Sci. A-2 1967, 5, 179.
69. Cerf, R. J. Chim. Phys. 1969, 66, 479.
70. (a) Bazúa, E. R.; Williams, M. C. J. Chem. Phys. 1973, 59, 2858.
71. (b) Bazúa, E. R.; Williams, M. C. J. Polym. Sci., Polym. Phys. Ed. 1974, 12, 825.