Coarse-grained molecular dynamic simulations for lyotropic liquid-crystalline solutions of semiflexible rod-like molecules

Molecular Crystals and Liquid Crystals

Volumn 466, Issue 1, 2007, Pages 53-76

  Lin, Shaoliang ^a   Numasawa, Naoko ^b   Nose, Takuhei ^c   Lin, Jiaping ^a  

^a East China University of Science and Technology   (China)

^b NIHON UNIVERSITY   (Japan)

^c TOKYO POLYTECHNIC UNIVERSITY   (Japan)

Author keywords

Lyotropic liquid crystal; Molecular dynamic simulation; Persistence length; Phase behavior; Rod like molecule

Indexed keywords

COMPUTER SIMULATION; CRYSTAL LATTICES; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; PHASE TRANSITIONS;

ANGLE BENDING POTENTIAL; CHAIN RIGIDITY; FLORY LATTICE THEORY; HARMONIC STRETCHING POTENTIAL; PERSISTENCE LENGTH;

LIQUID CRYSTALS;

EID: 34249308788     PISSN: 15421406     EISSN: 15635287     Source Type: Journal    
DOI: 10.1080/15421400701246309     Document Type: Article

References (35)

1. Onsager, L. (1949). Ann. N. Y. Acad. Sci., 51, 627.
2. Flory, P. J. (1956). Proc. R. Soc. London, A234, 60.
3. Odijk, T. (1986). Macromolecules, 19, 2313.
4. Hermans, J. Jr. (1962). J. Colloid. Sci., 17, 638.
5. Nakajima, A., Hayashi, U., & Ohmori, M. (1968). Biopolymers, 6, 973.
6. Porter. R. (1974). Liquid Crystals and Ordered Fluids, Plenum Press: New York.
7. Kiss, G. & Porter, R. (1978), J. Polym. Sci. Polym. Symp., 65, 193.
8. Aharoni, S. M. & Walsh, E. K. (1979). Macromolecules, 12, 271.
9. Conio, G., Bianchi, E., Ciferri, A., & Tealdi, A. (1981). Macromolecules, 14, 1084.
10. Ciferri, A. (1991). Liquid Crystallinity in Polymers, VCH: New York.
11. Metropolis, N., Rosenbluth, A. W., Rosenbluth, M. N., Teller, A. H., & Teller, E. (1953), J. Chem. Phys., 21, 1087.
12. Wood, W. W. & Parker, F. R. (1957). J. Chem. Phys., 27, 720.
13. Alder, B. J. & Wainwright, T. E. (1957). J. Chem. Phys., 27, 1208.
14. Stroobants, A., Lekkerkerker, H. N. W., & Frenkel, D. (1987). Phy. Rev. A, 36, 2929;
15. Frenkel, D., Lekkerkerker, H. N. W., & Stroobants, A. (1988). Nature, 332, 822.
16. Hess, S., Frenkel, D., & Allen, M. P. (1991). Mol. Phys., 74, 765;
17. Camp, P. J. & Allen, M. P. (1997). J. Chem. Phys., 106, 6681;
18. Allen, M. P. (1999). Computer Physics Communications, 121-122, 219.
19. Gay, J. G. & Berne, B. J. (1981), J. Chem. Phys., 74, 3316.
20. Palke, W. E., Emsley, J. W., & Tildesley, D. J. (1994). Mol. Phys., 82, 177.
21. Dijkstra, M. & Frenkel, D. (1995). Phy. Rev. E, 51, 5891.
22. Baumgartner, A. (1986). J. Chem. Phys., 84, 1905.
23. Kolinsky, A., Skolnick, J., & Yaris, R. (1986). Macromolecules, 19, 2560.
24. Tian, P., Bedreov, D., & Smith, G. D. (2001). J. Chem. Phys., 115, 9055.
25. Paolini, G. V., Ciccotti, G., & Ferrario, M. (1993). Mol. Phys., 80, 297.
26. Affouard, F., Kroger, M., & Hess, S. (1996). Phys. Rev. E, 54, 5178.
27. Darinskii, A. A., Zarembo, A., Balabaev, N. K., Neelov, I. M., & Sundholm, F. (2003). Phys. Chem. Chem. Phys., 5, 2410;
28. Darinskii, A. A., Neelov, I. M., Zarembo, A., Balabaev, N. K., Sundholm, F., & Binder, K. (2003). Macromol. Symp., 191, 191.
29. Sakurai, Y. & Ono, I. (2000). Mol. Cryst. Liq. Cryst., 346, 137.
30. http://octa jp. OCTA homepage; version: COGNAC4.0.
31. Berendsen, H. J. C., Postma, J. P. M., van Gunsteren, W. F., Dinola, A., & Haak, J. R. (1984). J. Chem. Phys., 81, 3684.
32. Baranyai, A. & Cummins, P. T. (1995). Phys. Rev. E, 52, 2198.
33. Flory, P. J. (1984). Advances in Polymer Science, 59, 1.
34. Isihara, A. (1951). J. Chem. Phys., 19, 1142.
35. Yethiraj, A. & Fynewever, H. (1998). Mol. Phys., 93, 693.