Rheological and structural studies of liquid decane, hexadecane, and tetracosane under planar elongational flow using nonequilibrium molecular-dynamics simulations

Journal of Chemical Physics

Volumn 122, Issue 18, 2005, Pages

  Baig, C ^a   Edwards, B J ^a   Keffer, D J ^a   Cochran, H D ^a  

^a University of Tennessee Knoxville   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELONGATION RATES; NEMATIC STRUCTURE; RADIUS OF GYRATION; VISCOMETRIC FUNCTIONS;

CHEMICAL BONDS; CRYSTAL ATOMIC STRUCTURE; HYDROCARBONS; HYDROSTATIC PRESSURE; NEMATIC LIQUID CRYSTALS; NEWTONIAN FLOW; RHEOLOGY; SHEAR FLOW; VISCOSITY OF LIQUIDS;

MOLECULAR DYNAMICS;

EID: 18844384638     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1897373     Document Type: Article

References (30)

1. R. B. Bird, R. C. Armstrong, and O. Hassager, Dynamics of Polymeric Liquids, Fluid Mechanics, Vol. 1, 2nd ed. (Wiley-Interscience, New York, 1987).
2. F. A. Morrison, Understanding Rheology (Oxford University Press, New York, 2001).
3. A. W. Lees and S. F. Edwards, J. Phys. C 5, 1921 (1972).
4. W. G. Hoover, D. J. Evans, R. B. Hickman, A. J. C. Ladd, W. T. Ashurst, and B. Moran, Phys. Rev. A 22, 1690 (1980).
5. D. J. Evans and G. P. Morriss, Phys. Rev. A 30, 1528 (1984).
6. D. J. Evans and G. P. Morriss, Statistical Mechanics of Nonequilibrium Liquids (Academic, New York, 1990).
7. A. M. Kraynik and D. A. Reinelt, Int. J. Multiphase Flow 18, 1045 (1992).
8. B. D. Todd and P. J. Daivis, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.1118 81, 1118 (1998); B. D. Todd and P. J. Daivis, Comput. Phys. Commun. 117, 191 (1999).
9. B. D. Todd and P. J. Daivis, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.81.1118 81, 1118 (1998); B. D. Todd and P. J. Daivis, Comput. Phys. Commun. 117, 191 (1999).
10. A. Baranyai and P. T. Cummings, J. Chem. Phys. 110, 42 (1999).
11. B. D. Todd and P. J. Daivis, J. Chem. Phys. 112, 40 (2000).
12. C. Baig, B. J. Edwards, D. J. Keffer, and H. D. Cochran, J. Chem. Phys. 122, 114103 (2005).
13. M. E. Tuckerman, C. J. Mundy, S. Balasubramanian, and M. L. Klein, J. Chem. Phys. 106, 5615 (1997).
14. B. J. Edwards and M. Dressler, J. Non-Newtonian Fluid Mech. 96, 163 (2001).
15. S. T. Cui, P. T. Cummings, and H. D. Cochran, J. Chem. Phys. 104, 255 (1996).
16. S. T. Cui, S. A. Gupta, P. T. Cummings, and H. D. Cochran, J. Chem. Phys. 105, 1214 (1996).
17. R. Khare, J. de Pablo, and A. Yethiraj, J. Chem. Phys. 107, 6956 (1997).
18. S. Noś, Mol. Phys. 52, 255 (1984).
19. S. Noś, J. Chem. Phys. 81, 511 (1984).
20. W. G. Hoover, Phys. Rev. A 31, 1695 (1985).
21. J. I. Siepmann, S. Karaborni, and B. Smit, Nature (London) 365, 330 (1993).
22. W. L. Jorgensen, J. D. Madura, and C. J. Swenson, J. Am. Chem. Soc. 106, 6638 (1984).
23. M. Tuckerman, B. J. Berne, and G. J. Martyna, J. Chem. Phys. 97, 1990 (1992).
24. H. Flyvbjerg and H. G. Petersen, J. Chem. Phys. 91, 461 (1989).
25. P. Hachmann and J. Meissner, J. Rheol. 47, 989 (2003).
26. M. Mondello and G. S. Grest, J. Chem. Phys. 103, 7156 (1995).
27. J. D. Moore, S. T. Cui, H. D. Cochran, and P. T. Cummings, J. Non-Newtonian Fluid Mech. 93, 83 (2000).
28. M. Doi and S. F. Edwards, The Theory of Polymer Dynamics (Oxford University Press, New York, 1986).
29. P. G. de Gennes, J. Chem. Phys. 55, 572 (1971).
30. P. E. Rouse, J. Chem. Phys. 21, 1272 (1953).