Rheological, thermodynamic, and structural studies of linear and branched alkanes under shear

Journal of Chemical Physics

Volumn 107, Issue 17, 1997, Pages 6956-6964

  Khare, Rajesh ^a,b   De Pablo, Juan ^a   Yethiraj, Arun ^b  

^a University of Wisconsin Madison   (United States)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000278539     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474935     Document Type: Article

References (38)

1. M. Kroger, W. Loose, and S. Hess, J. Rheol. 37, 1057 (1993).
2. Z. Xu, J. J. de Pablo, and S. Kim, J. Chem. Phys. 102, 5836 (1995).
3. R. Edberg, G. P. Morriss, and D. J. Evans, J. Chem. Phys. 86, 4555 (1987).
4. J. P. Ryckaert and A. Bellemans, Chem. Phys. Lett. 30, 123 (1975).
5. D. Brown and J. H. R. Clarke, Chem. Phys. Lett. 98, 579 (1983).
6. G. Marechal, J. P. Ryckaert, and A. Bellemans, Mol. Phys. 61, 33 (1987).
7. S. Chynoweth, U. C. Clomp, and Y. Michopoulos, J. Chem. Phys. 95, 3024 (1991).
8. G. P. Morriss, P. J. Daivis, and D. J. Evans, J. Chem. Phys. 94, 7420 (1991).
9. A. Berker, S. Chynoweth, U. C. Clomp, and Y. Michopoulos, J. Chem. Soc. Faraday Trans. 88, 1719 (1992).
10. M. Doi and S. F. Edwards, The Theory of Polymer Dynamics (Clarendon, Oxford, UK, 1986).
11. D. E. Diller and L. J. Van Pollen, Int. J. Thermophys. 6, 43 (1985).
12. R. L. Rowley and J. F. Ely, Mol. Phys. 72, 831 (1991).
13. R. L. Rowley and J. F. Ely, Mol. Phys. 75, 713 (1992).
14. P. J. Daivis, D. J. Evans, and G. P. Morriss, J. Chem. Phys. 97, 616 (1992).
15. P. J. Daivis and D. J. Evans, J. Chem. Phys. 101, 541 (1994).
16. C. J. Mundy, J. I. Siepmann, and M. Klein, J. Chem. Phys. 103, 10192 (1995).
17. S. T. Cui, P. T. Cummings, and H. D. Cochran, J. Chem. Phys. 104, 255 (1996).
18. M. Mondello and G. S. Grest (preprint).
19. C. J. Mundy, M. L. Klein, and J. I. Siepmann, J. Phys. Chem. 100, 16779 (1996).
20. W. Jorgensen, J. D. Madura, and C. J. Swenson, J. Am. Chem. Sec. 106, 6638 (1984).
21. J. J. de Pablo, M. Bonnin, and J. M. Prausnitz, Fluid Phase Equilibria 73, 187 (1992).
22. M. Laso, J. J. de Pablo, and U. W. Suter, J. Chem. Phys. 97, 2817 (1992).
23. J. I. Siepmann, S. Karaborni, and B. Smit, Nature 30, 330 (1993).
24. J. Sheng, Ph.D. thesis, Cornell University, 1995.
25. J. I. Siepmann (personal communication).
26. C. J. Mundy, J. I. Siepmann, and M. Klein, J. Chem. Phys. 102, 3376 (1995).
27. R. B. Bird, C. F. Curtiss, R. C. Armstrong, and O. Hassager, Dynamics of Polymeric Liquids, Vol. 2. Kinetic Theory, 2nd ed. (Wiley-Interscience, New York, 1987).
28. D. J. Evans and G. P. Morriss, Statistical Mechanics of Nonequilibrium Liquids (Academic, New York, 1990).
29. R. Khare, J. J. de Pablo, and A. Yethiraj, Macromolecules 29, 7190 (1996).
30. S. T. Cui, S. A. Gupta, P. T. Cummings, and H. D. Cochran, J. Chem. Phys. 105, 1214 (1996).
31. R. C. Reid, J. M. Prausnitz, and B. E. Poling, The Properties of Gases and Liquids, 4th ed. (McGraw-Hill, New York, 1987).
32. Properties of Hydrocarbons of High Molecular Weight Synthesized by Research Project 42 of the American Petroleum Institute, New York, 1966.
33. M. J. Assael, J. H. Dymond, and V. Tselekidou, Int. J. Thermophys. 11, 863 (1990).
34. r<0.98. It is to be noted that if the viscosity of hexadecane at 1 atm pressure is used in the Lucas correlation (instead of using the saturated liquid viscosity thus calculated), a much better agreement is obtained with both the NEMD simulations and the Assael conelation results.
35. R. B. Bird, C. F. Curtiss, R. C. Armstrong, and O. Hassager, Dynamics of Polymeric Liquids, Vol. 1. Fluid Mechanics, 2nd ed. (Wiley-Interscience, New York, 1987).
36. Z. Xu, R. Khare, J. J. de Pablo, and S. Kim, J. Chem. Phys. 106, 8285 (1997).
37. Z. Xu, J. J. de Pablo, and S. Kim, J. Chem. Phys. 101, 5293 (1994).
38. J. J. de Pablo, H. C. Ottinger, and Y. Rabin, AIChE J. 38, 273 (1992).