Advances in modeling of polymer melt rheology

AIChE Journal

Volumn 53, Issue 3, 2007, Pages 542-548

  Larson, Ronald G ^a   Zhou, Qiang ^a   Shanbhag, Sachin ^b   Park, Seung Joon ^c  

^a UNIVERSITY OF MICHIGAN   (United States)

^b FAMU FSU COLLEGE OF ENGINEERING   (United States)

^c Korea Polytechnic University   (South Korea)

Author keywords

Constitutive models; Diffusion; Polymers; Rheology; Viscoelasticity

Indexed keywords

EID: 33947515039     PISSN: 00011541     EISSN: 15475905     Source Type: Journal    
DOI: 10.1002/aic.11064     Document Type: Article

References (40)

1. de Gennes PG. Reptation of a polymer chain in the presence of fixed obstacles. J. Chem Phys. 1971;55:572-579.
2. Doi M, Edwards SF. Dynamics of concentrated polymer systems. Part 1 - Brownian motion in the equilibrium state. J of the Chemical Society. Faraday Transations II. 1978;74:1789-1801.
3. Doi M, Edwards SF. Dynamics of concentrated polymer systems. Part 2 -Molecular motion under flow. J of the Chemical Society. Faraday Transactions II. 1978;74: 1802-1817.
4. Doi M, Edwards SF. Dynamics of concentrated polymer systems. Part 3 -The constitutive equation. J of the Chemical Society. Faraday Transactions II. 1978;74:1818-1832.
5. Doi M. Explanation for the 3.4 power law of viscosity of polymeric liquids on the basis of the tube model. J of Polymer Sci. Polymer Physics Ed. 1983;21:667-684.
6. Viovy JL, Rubinstein M, Colby RH. Constraint release in polymer melts: Tube reorganization versus tube dilution. Macromolecules. 1991;24:3587-3596.
7. Watanabe H. Viscoelasticity and dynamics of entangled polymers. Progress in Polymer Science. 1999;24:1253-1403.
8. Ball RC, McLeish TCB. Dynamic dilution and the viscosity of star polymer melts. Macromolecules. 1989;22:1911-1913.
9. McLeish TCB. Tube theory of entangled polymer dynamics. Advances in Physics. 2002;51:1379-1527.
10. Milner ST, McLeish TCB, Young RN, Hakiki A, Johnson JM. Dynamic dilution, constraint-release, and star-linear blends. Macromolecules. 1998;31:9345-9353.
11. Marrucci G. Dynamics of entanglements: a nonlinear model consistent with the Cox-Merz rule. J of Non-Newtionian Fluid Mechanics. 1996;62:279-289.
12. Dealy J, Larson RG. Structure and rheology of molten polymers. From structure to flow behavior and back again. Munich: Hanser; 2006.
13. Doi M, Kuzuu NY. Rheology of star polymers in concentrated-solutions and melts. J of Polymer Sci C - Polym Letts. 1980;18:775-780.
14. Larson RG. Combinatorial rheology of branched polymer melts. Macromolecules 2001;34:4556-4571.
15. Kremer K, Grest GS, Carmesin I. Crossover from Rouse to reptation dynamics - a molecular-dynamics simulation. Phys Rev Letts. 1988;61:566-569.
16. Kremer K, Grest GS. Dynamics of entangled linear polymer melts - a molecular-dynamics simulation. J of Chem Phys. 1990;92:5057-5086.
17. Doi M, Edwards SF. The theory of polymer dynamics. Oxford: Oxford University Press; 1988.
18. Kröger M, Hess S. Rheological evidence for a dynamical crossover in polymer melts via nonequilibrium molecular dynamics. Phys Rev Letts. 2000;85:1128-1131.
19. Everaers R, Sukumaran SK, Grest GS, Svaneborg C, Sivasubramanian A, Kremer K. Rheology and microscopic topology of entangled polymeric liquids. Science. 303:823-826.
20. Zhou Q, Larson RG. Primitive path identification and statistics in molecular dynamics simulations of entangled polymer melts. Macromolecules. 2005;38:5761-5765.
21. Tzoumanekas C, Theodorou DN. Topological analysis of linear polymer melts: a statistical approach. Macromolecules. 2006;39:4592-4604.
22. Kröger M. Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems. Comp Phys Communications. 2005; 168:209-232.
23. Foteinopoulou K, Karayiannis NC, Mavrantzas VG, Kröger M. Primitive path identification and entanglement statistics in polymer melts: Results from direct topological analysis on atomistic polyethylene models. Macromolecules. 2006;39:4207-4216.
24. Schieber JD. Fluctuations in entanglements of polymer liquids. J of Chem Phys. 2003;118:5162-5166.
25. Carmesin I, Kremer K. The bond-fluctuation method - a new effective algorithm for the dynamics of polymers in all spatial dimensions. Macromolecules. 1988;21:2819-2823.
26. Shaffer JS. Effects of chain topology on polymer dynamics - bulk melts. Journal of Chemical Physics. 1994;101:4205-4213.
27. Shanbhag S, Larson RG. Chain retraction potential in a fixed entanglement network. Phys Rev Letts. 2005;94:076001.
28. Shanbhag S, Larson RG. Identification of topological. constraints in entangled polymer melts using the 'bond-fluctuation model. Macromolecules. 2006;39:2413-2417.
29. Hua CC, Schieber JD. Segment connectivity, chain-length breathing, segmental stretch, and constraint release in reptation models. I. Theory and single-step strain predictions. J of Chem Phys. 1998;109:10018-10027.
30. Shanbhag S, Larson RG, Takimoto J, Doi M. Deviations from dynamic dilution in the terminal relaxation of star polymers. Phys Rev Letts. 2001;87:195502.
31. Doi M, Takimoto J-I. Molecular modeling of entanglement. Philosophical Transactions of the Royal Society London A. 2003;361:641-652.
32. Likhtman AE. Single-chain slip-link model of entangled polymers: simultaneous description of neutron spin-echo, rheology, and diffusion. Macromolecules. 2005;38:6128-6139.
33. Masubuchi Y, Takimoto J-I, Koyama K, lanniruberto G, Marrucci G, Greco F. Brownian simulations of a network of reptating primitive chains. J of Chem Phys. 2001; 115:4387-4394.
34. Park SJ, Shanbhag S, Larson RG. A hierarchical algorithm for predicting the linear viscoelastic properties of polymer melts with long-chain branching. Rheologica Acta. 2005;44:319-330.
35. Wood-Adams PM, Dealy JM, deGroot AW, Redwine OD. Effect of molecular structure on the linear viscoelastic behavior of polyethylene. Macromolecules. 2000;33:7489-7499.
36. Costeux S, Wood-Adams PM, Beigzadeh D. Molecular structure of metallocene-catalyzed polyethylene: rheologically relevant representation of branching architecture in single catalyst and blended system. Macromolecules. 2002;35:2514-2528.
37. Das C, Inkson NJ, Read DJ, Kelmanson MA, McLeish TCB. Computational linear rheology of general branch-on-branch polymers. J of Rheology. 2006;50:207-235.
38. Mead DW, Larson RG, Doi M. A molecular theory for fast flows of entangled polymers. Macromolecules. 1998;31:7895-7914.
39. Bent J, Hutchings LR, Richards RW, Gough T, Spares R, Coates PD, Grillo I, Harlen OG, Read DJ, Graham RS, Likhtman AE, Groves DJ, Nicholson TM, McLeish TCB. Neutron-mapping polymer flow: scattering, flow-visualization and molecular theory. Science. 2003;301:1691-1695.
40. McLeish TCB, Larson RG. Molecular constitutive equations for a class of branched polymers: the pom-pom polymers. J of Rheology. 1998;42:81-110.