Authors
Abstract
Density functional approach was used to study the isotropic- nematic (I-N) transition and calculate the values of freezing parameters of the Gay- Berne liquid crystal model. New direct and pair correlation functions of a molecular fluid with Gay- Berne pair potential were used. These new functions were used in density functional theory as input to calculate the isotropic- nematic transition densities for elongation at various reduced temperatures. It was observed that the isotropic- nematic transition densities increase as the temperature increases. It was found that the new direct correlation function is suitable to study the isotropic- nematic transition of Gay- Berne liquids. Comparison to other works showed qualitative agreement
Keywords
References
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53. P Mishra and J Ram, Eur. Phys. J. E 14 (2005) 345
1. S Singh, “Liquid crystals: fundamentals”, World Scientific (2002).
2. P G de Gennes and J Prost, “The Physics of Liquid Crystals”, Clarendon Press, Oxford (1993).
3. S Chandrasekhar, “Liquid Crystals”, Cambridge Univ. Press, Cambridge (1992).
4. I G Kaplan, “Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials”, John Wiley and Sons, Ltd. (2006).
5. C G Gray and K E Gubbins, “Theory of Molecular Fluids Fundamental”, Oxford University, New York (1984).
6. B J Berne and P Pechukas, J. Chem. Phys. 56 (1972) 4213.
7. J G Gay and B J Berne, J. Chem. Phys. 74 (1981) 3316.
8. R C Singh, Mol. Cryst. Liq. Cryst. 457 (2006) 67.
9. R C Singh, J. Phys.: Condens. Matt. 19 (2007) 376101.
10. G R Luckhurst, R A Stephens, and R W Phippen, Liq. Cryst. 8 (1990) 451.
11. G R Luckhurst and K A Satoh, Mole. Cryst. and Liq. Cryst. 402 (2003) 321.
12. M A Bates and G R Luckhurst, J. Chem. Phys. 110 (1999) 7087.
13. J S Lintuvuori and M R Wilson, J. Chem. Phys. 128 (2008) 044906.
14. R Berardi et al., J. Chem. Phys. 131 (2009) 174107.
15. R Berardi et al., J. Chem. Phys. 135 (2011) 134119.
16. E Velasco, A M Somoza, and L Mederos, J. Chem. Phys. 102 (1995) 8107.
17. V V Ginzburg, M A Glaser, and N A Clark, Liq. Cryst. 21 (1996) 265.
18. R C Singh, J Ram, and Y Singh, Phys. Rev. E 54 (1996) 977.
19. R C Singh and J Ram, Physica A 326 (2003) 13.
20. Y Singh, Phys. Rep. 207 (1991) 351.
21. D L Cheung and F Schmid, J. Chem. Phys. 120 (2004) 9185.
22. M Moradi and A Avazpour, Iranian J. Phys. Res. 4, 3 (2004) 267.
23. J Alejandre, J W Emsley, and D J Tildesley, J. Chem. Phys. 101 (1994) 7027.
24. M P Allen, M A Warren, and M R Wilson, et al., J. Chem. Phys. 105 (1996) 2850.
25. J Stelzer, L Longa and H R Trebin, J. Chem. Phys. 103 (1995) 3098.
26. S Sarman and D J Evans, J. Chem. Phys. 99 (1993) 9021.
27. S Sarman, J. Chem. Phys. 101 (1994) 480.
28. S Sarman and D J Evans, J. Chem. Phys. 99 (1993) 620.
29. S Sarman, J. Chem. Phys. 103 (1995) 393.
30. E de Miguel, L F Rull and K E Gubbins, Phys. Rev. A 45 (1992) 3813.
31. R C Singh, J Ram and Y Singh, Phys. Rev. E 65 (2002) 031711.
32. S Singh, Phys. Rep. 324 (2000) 107.
33. J P Hansen and I R McDonald, ”Theory of Simple Liquids,” Academic, London (1976).
34. M S Wertheim, Phys. Rev. Lett. 10 (1963) 321.
35. T Boublik, Mol. Phys. 91 (1997) 161.
36. R Pynn, J. Chem. Phys. 60 (1974) 4579.
37. A Wulf, J. Chem. Phys. 67 (1977) 2254.
38. G Rickayzen, Mol. Phys. 98 (1998) 393.
39. J F Marko, Phys. Rev. Lett. 60 (1988) 325.
40. A Avazpour and M Moradi, Physica B 392 (2007) 242.
41. C Ebner, H R Krishnamurthy and R Pandit, Phys. Rev. A. 43 (1991) 4355.
42. M Moradi and H Shahri, , Iranian J. Phys. Res. 3, 4 (2003) 275.
43. R Evans, in: D. Henderson (Ed.), “Inhomogenous Fluids”, Dekker, New York (1992).
44. M Moradi, R J Wheatley, and A Avazpour, J. Phys.: Cond. Matt. 17 (2005) 5625.
45. M Moradi, R J Wheatley, and A Avazpour, Phys. Rev. E. 72 (2005) 061706.
46. E de Migule and E M del Rio, J. Chem. Phys. 118 (2003) 1852.
47. A Gonzalez and J A White, Physica A 296 (2001) 347.
48. M Baus, J L Colot, and X G Wu, et al., Phys. Rev. Lett. 59 (1987) 2184.
49. J A Cuesta, C F Tejero, and M Baus, Phys. Rev. A 39 (1989) 6498.
50. N H Phuong, G Germano, and F Schmid, J. Chem. Phys. 115 (2001) 7227.
51. W R Smith and D Handerson, Mol. Phys. 3 (1970) 411.
52. R Roth, R Evans,and A Long, et al., J. Phys.: Cond. Matt. 14 (2002) 12063.
53. P Mishra and J Ram, Eur. Phys. J. E 14 (2005) 345
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