Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Viscosity and Diffusion of Small Normal and Isomeric Alkanes: An Equilibrium Molecular Dynamics Simulation Study

  • Published : 2008.05.20
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References

  1. Graham Solomon, T. W. Organic Chemistry, 4th ed.; John Wiley and Sons: New York, 1988
  2. Diller, D. E.; van Poolen, L. J. Int. J. Thermophysics 1985, 6, 43 https://doi.org/10.1007/BF00505791
  3. Weast, R. C.; Astle, M. J. CRC Handbook of Chemistry and Physics, 63rd ed.; CRC press: Boca Ranton, 1982-1983
  4. Gallant, R. W. Physical Properties of Hydrocarbons; Gulf Pub.: Houston, 1968
  5. Evans, D. J.; Hoover, W. G.; Failor, B. H.; Moran, B.; Ladd, A. J. C. Phys. Rev. 1983, A28, 1016
  6. Simmons, A. J. D.; Cummings, P. T. Chem. Phys. Lett. 1986, 129, 92 https://doi.org/10.1016/0009-2614(86)80176-2
  7. Siepmann, J. I.; Karaborni, S.; Smit, B. Nature (London) 1993, 365, 330 https://doi.org/10.1038/365330a0
  8. Smit, B.; Karaborni, S.; Siepmann, J. I. J. Chem. Phys. 1995, 102, 2126 https://doi.org/10.1063/1.469563
  9. Mundy, C. J.; Siepmann, J. I.; Klein, M. L. J. Chem. Phys. 1995, 102, 3376 https://doi.org/10.1063/1.469211
  10. Cui, S. T.; Cummings, P. T.; Cochran, H. D. J. Chem. Phys. 1996, 104, 255 https://doi.org/10.1063/1.470896
  11. Cui, S. T.; Gupta, S. A.; Cummings, P. T.; Cochran, H. D. J. Chem. Phys. 1996, 105, 1214 https://doi.org/10.1063/1.471971
  12. Jorgensen, W. L.; Madura, J. D.; Swenson, C. J. J. Am. Chem. Soc. 1984, 106, 6638 https://doi.org/10.1021/ja00334a030
  13. Gear, C. W. Numerical Initial Value Problems in Ordinary Differential Equation; Prentice-Hall: Englewood Cliffs, 1971
  14. Andersen, H. J. Comput. Phys. 1984, 52, 24 https://doi.org/10.1016/0021-9991(83)90014-1
  15. Lee, S. H. Bull. Kor. Chem. Soc. 2007, 28, 1371 https://doi.org/10.5012/bkcs.2007.28.8.1371
  16. Min, S. H.; Son, C. M.; Lee, S. H. Bull. Kor. Chem. Soc. 2007, 28, 1689 https://doi.org/10.5012/bkcs.2007.28.10.1689
  17. Fleisher, G. Polym. Bull. (Berlin) 1983, 9, 152
  18. Pearson, D. S.; Ver Strate, G.; von Meerwall, E.; Schilling, F. C. Macromolecules 1987, 20, 1133 https://doi.org/10.1021/ma00171a044
  19. Von Meerwall, E.; Beckman, S.; Jang, J.; Mattice, W. L. J. Chem. Phys. 1998, 108, 4299 https://doi.org/10.1063/1.475829
  20. Lee, S. H.; Chang, T. Bull. Kor. Chem. Soc. 2003, 24, 1590 https://doi.org/10.5012/bkcs.2003.24.11.1590
  21. Lee, S. H.; Cummings, P. T. Mol. Sim. 1996, 16, 229 https://doi.org/10.1080/08927029608024077
  22. Mendelson, R. A.;. Bowles, W. A.; Finer, F. L. J. Polym. Sci., Part A-2, 1970, 8, 105 https://doi.org/10.1002/pol.1970.160080109
  23. Raju, V. R.; Smith, G. G.; Marin, G.; Knox, J. R.; Graessley, W. W. J. Polym. Sci., Polym. Phys. Ed. 1979, 17, 1183 https://doi.org/10.1002/pol.1979.180170704

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