Comparison of shear flow of hexadecane in a confined geometry and in bulk

Journal of Chemical Physics

Volumn 106, Issue 17, 1997, Pages 7303-7314

  Stevens, Mark J ^a,b   Mondello, Maurizio ^b   Grest, Gary S ^b   Cui, S T ^c,d   Cochran, H D ^c,d   Cummings, P T ^c,d  

^a SANDIA NATIONAL LABORATORIES   (United States)

^b EXXONMOBIL UPSTREAM RESEARCH COMPANY   (United States)

^c The University of Tennessee   (United States)

^d OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001004386     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473692     Document Type: Review

References (59)

1. J. N. Israelachvili, Intermolecular and Surface Forces, 2nd ed. (Academic Press, San Diego, 1992).
2. M. L. Gee, P. M. McGuiggan, J. N. Israelachvili, and A. M. Homola, J. Chem. Phys. 93, 1895 (1990).
3. J. V. Alsten and S. Granick, Phys. Rev. Lett. 61, 2570 (1988).
4. H.-W. Hu, G. A. Carson, and S. Granick, Phys. Rev. Lett. 66, 2758 (1991).
5. S. Granick, Science 253, 1374 (1991).
6. J. Klein, D. Perahia, and S. Warburg, Nature 352, 143 (1991).
7. G. A. Carson, H.-W. Hu, and S. Granick, Tribology Trans. 35, 405 (1992).
8. S. Granick, A. L. Demirel, L. L. Cai, and J. Peanasky, Israel J. Chem. 35, 75 (1995).
9. J. Klein and E. Kumacheva, Science 269, 5225 (1995).
10. J. Krim, D. Solina, and R. Chiarello, Phys. Rev. Lett. 66, 181 (1991).
11. F. F. Abraham, J. Chem. Phys. 68, 3713 (1978).
12. S. Toxvaerd, J. Chem. Phys. 74, 1998 (1981).
13. M. Schöen, D. Diestler, and J. Cushman, J. Chem. Phys. 87, 4464 (1987); C. L. Rhykerd, M. Schoen, D. Diestler, and J. Cushman, Nature 330, 461 (1987); M. Schöen, C. L. Rhykerd, D. Diestler, and J. H. Cushman, Science 245, 1223 (1989).
14. M. Schöen, D. Diestler, and J. Cushman, J. Chem. Phys. 87, 4464 (1987); C. L. Rhykerd, M. Schoen, D. Diestler, and J. Cushman, Nature 330, 461 (1987); M. Schöen, C. L. Rhykerd, D. Diestler, and J. H. Cushman, Science 245, 1223 (1989).
15. M. Schöen, D. Diestler, and J. Cushman, J. Chem. Phys. 87, 4464 (1987); C. L. Rhykerd, M. Schoen, D. Diestler, and J. Cushman, Nature 330, 461 (1987); M. Schöen, C. L. Rhykerd, D. Diestler, and J. H. Cushman, Science 245, 1223 (1989).
16. U. Landman, W. D. Luedtke, and M. W. Ribarsky, J. Vac. Sci. Technol. A 7, 2829 (1989).
17. P. A. Thompson and M. O. Robbins, Phys. Rev. A 41, 6830 (1990).
18. P. A. Thompson and M. O. Robbins, Phys. World 3, 35 (1990).
19. P. A. Thompson, G. S. Grest, and M. O. Robbins, Phys. Rev. Lett. 68, 3448 (1992).
20. P. A. Thompson, M. O. Robbins, and G. S. Grest, Israel J. Chem. 35, 93 (1995).
21. M. Lupowski and F. van Swol, Langmuir 95, 1995 (1991).
22. I. Bitsanis and C. Pan, J. Chem. Phys. 99, 5520 (1993).
23. P. Padilla and S. Toxvaerd, J. Chem. Phys. 101, 1490 (1994).
24. M. Cieplak, E. D. Smith, and M. O. Robbins, Science 265, 1209 (1994).
25. E. Manias, G. Hadziioannou, I. Bitsanis, and G. ten Brinke, Europhys. Lett. 24, 99 (1993); ibid 33, 371 (1996).
26. E. Manias, G. Hadziioannou, I. Bitsanis, and G. ten Brinke, Europhys. Lett. 24, 99 (1993); ibid 33, 371 (1996).
27. R. Khare, J. J. de Pablo, and A. Yethiraj, Macromolecules 29, 7910 (1996).
28. For the shear rate, we adopt the standard notation γ̇ found in the rheology literature. In the molecular dynamics literature, the same quantity is sometimes defined as γ.
29. G. A. Carson, Ph.D. thesis, U. Illinois, 1992.
30. Y. Rabin and I. Hersht, Physica A 200, 708 (1993).
31. M. Urbakh, L. Daikhin, and J. Klafter, Europhys. Lett. 32, 125 (1995).
32. A. Subbotin, A. Semenov, E. Manias, G. Hadziioannou, and G. ten Brinke, Macomolecules 28, 3898 (1995).
33. S. Cui, P. Cummings, and H. Cochran, J. Chem. Phys. 104, 255 (1996).
34. C. Mundy, J. Siepmann, and M. L. Klein, J. Chem. Phys. 102, 3375 (1995).
35. J. I. Siepmann, S. Karaborni, and B. Smit, Nature 365, 330 (1993).
36. W. Jorgensen, J. Madura, and C. Swenson, J. Am. Chem. Soc. 106, 6638 (1984).
37. M. Allen and D. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 1987).
38. M. Mondello and G. S. Grest, J. Chem. Phys. 103, 7156 (1995).
39. M. Tuckerman, B. Berne, and G. Martyna, J. Chem. Phys. 97, 1990 (1992).
40. G. S. Grest and K. Kremer, Phys. Rev. A 33, 3628 (1986).
41. W. F. van Gunsteren and H. Berendsen, Mol. Phys. 45, 637 (1982).
42. B. D. Todd, D. J. Evans, and P. J. Daivis, J. Chem. Phys. 52, 1627 (1995).
43. The density profile shows some asymmetry at the top wall due to the non-zero load, not the shear motion of the wall. For constant volume simulations with a fixed wall, the asymmetry does not exist. The asymmetry is partially due to binning a moving wall. Figure 2 shows there is no appreciable difference in the slip at the wall.
44. C. Kessel and S. Granick, Langmuir 7, 532 (1991).
45. K. Walley, K. Schweizer, J. Peanasky, L. Cai, and S. Granick, J. Chem. Phys. 100, 3361 (1994).
46. J. Hautman and M. Klein, J. Chem. Phys. 93, 7483 (1990).
47. K. Travis, P. Daivis, and D. Evans, J. Chem. Phys. 103, 1109 (1995).
48. H. J. C. Berendsen, J. P. M. Postma, W. Fran Gunsteren, A. DiNola, and J. R. Haak, J. Chem. Phys. 81, 3684 (1984).
49. P. J. Daivis and D. J. Evans, J. Chem. Phys. 100, 541 (1994).
50. G. Marechal and J. Ryckaert, Chem. Phys. Lett. 101, 548 (1983).
51. M. Allen, Mol. Phys. 52, 705 (1984).
52. S. Cui, P. Cummings, and H. Cochran, Mol. Phys. 88, 1657 (1996).
53. R. Edberg, G. Morris, and D. Evans, J. Chem. Phys. 86, 4555 (1987).
54. Properties of Hydrocarbons of High Molecular Weight (Petroleum Institute, Research Project 42, Washington, D.C., 1966).
55. J. Dymond, K. Young, and J. Isdale, J. Chem. Thermodynamics 11, 887 (1979).
56. A. Berker, S. Chynoweth, U. C. Klomp, and Y. Michopoulos, J. Chem. Soc. Faraday Trans. 88, 1719 (1992).
57. M. Kroger, W. Loose, and S. Hess, J. Rheology 37, 1057 (1993).
58. K. Kremer and G. S. Grest, J. Chem. Phys. 92, 5057 (1990).
59. M. Doi and S. F. Edwards, The Theory of Polymer Dynamics (Oxford University Press, Oxford, NY, 1986).