Solvation effects for polymers at an interface: A hybrid self-consistent field-density functional theory approach

Journal of Chemical Physics

Volumn 135, Issue 20, 2011, Pages

  Bryk, Paweł ^a   MacDowell, Luis G ^b  

^a MARIA CURIE SK ODOWSKA UNIVERSITY   (Poland)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION FUNCTION; DENSITY PROFILE; END-TO-END DISTANCE VECTOR; END-TO-END DISTANCES; FUNCTIONAL THEORY; HARD WALLS; HARD-SPHERE; MONTE CARLO SIMULATION; POLYATOMICS; SELF CONSISTENT FIELD THEORY; SOLVATION EFFECT; THEORETICAL PREDICTION; THERMODYNAMIC PERTURBATION THEORY;

COMPUTER SIMULATION; CURRENT VOLTAGE CHARACTERISTICS; FORECASTING; FUNCTIONAL POLYMERS; MEAN FIELD THEORY; MOLECULAR ORBITALS; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; SOLVATION; SPHERES;

DENSITY FUNCTIONAL THEORY;

EID: 82555188388     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3662139     Document Type: Article

References (63)

1. S. F. Edwards, Proc. Phys. Soc. 85, 613 (1965). 10.1088/0370-1328/85/4/ 301
2. E. Helfand and Y. Tagami, J. Chem. Phys. 56, 3592 (1972). 10.1063/1.1677735
3. E. Helfand and Y. Tagami, J. Chem. Phys. 57, 1812 (1972). 10.1063/1.1678491
4. E. Helfand, J. Chem. Phys. 62, 999 (1975). 10.1063/1.430517
5. F. Schmid, J. Phys.: Condens. Matter 10, 8105 (1998). 10.1088/0953-8984/10/37/002
6. M. W. Matsen, J. Phys.: Condens. Matter 14, R21 (2002). 10.1088/0953-8984/14/2/201 (Pubitemid 34133730)
7. G. H. Fredrickson, The Equilibrium Theory of Inhomogeneous Polymers (Oxford University Press, Oxford, 2006).
8. D. Chandler, J. D. McCoy, and S. J. Singer, J. Chem. Phys. 85, 5971 (1986). 10.1063/1.451510
9. D. Chandler, J. D. McCoy, and S. J. Singer, J. Chem. Phys. 85, 5977 (1986). 10.1063/1.451511
10. C. E. Woodward, J. Chem. Phys. 94, 3183 (1991). 10.1063/1.459787
11. R. Evans, in Fundamentals of Inhomogenous Fluids, edited by, D. Henderson, (Marcel Dekker, New York, 1992), Chap. 3, pp. 85-175.
12. M. Turesson, J. Forsman, and T. Akesson, Phys. Rev. E 76, 021801 (2007). 10.1103/PhysRevE.76.021801 (Pubitemid 47245674)
13. C. E. Woodward and J. Forsman, Phys. Rev. Lett. 100, 098301 (2008). 10.1103/PhysRevLett.100.098301 (Pubitemid 351399056)
14. C. E. Woodward and J. Forsman, Phys. Rev. E 74, 010801(R) (2006). 10.1103/PhysRevE.74.010801 (Pubitemid 44091263)
15. M. S. Wertheim, J. Stat. Phys. 35, 19 (1984). 10.1007/BF01017362
16. M. S. Wertheim, J. Stat. Phys. 35, 35 (1984). 10.1007/BF01017363
17. M. S. Wertheim, J. Stat. Phys. 42, 459 (1986). 10.1007/BF01127721
18. M. S. Wertheim, J. Stat. Phys. 42, 477 (1986). 10.1007/BF01127722
19. M. S. Wertheim, J. Chem. Phys. 87, 7323 (1987). 10.1063/1.453326
20. E. Kierlik and M. L. Rosinberg, J. Chem. Phys. 97, 9222 (1992). 10.1063/1.463298
21. E. Kierlik and M. L. Rosinberg, J. Chem. Phys. 99, 3950 (1993). 10.1063/1.466142
22. E. Kierlik and M. L. Rosinberg, J. Chem. Phys. 100, 1716 (1994). 10.1063/1.466599
23. S. Phan, E. Kierlik, M. L. Rosinberg, H. Yu, and G. Stell, J. Chem. Phys. 99, 5326 (1993). 10.1063/1.465976
24. S. Phan, E. Kierlik, and M. L. Rosinberg, J. Chem. Phys. 101, 7997 (1994). 10.1063/1.468226
25. S. Phan, E. Kierlik, M. L. Rosinberg, A. Yethiraj, and R. Dickman, J. Chem. Phys. 102, 2141 (1995). 10.1063/1.468735
26. Y. X. Yu and J. Z. Wu, J. Chem. Phys. 117, 2368 (2002). 10.1063/1.1491240 (Pubitemid 34916809)
27. P. Bryk and S. Sokolowski, J. Chem. Phys. 121, 11314 (2004). 10.1063/1.1814075 (Pubitemid 40020670)
28. P. Bryk, K. Bucior, S. Sokolowski, and G. Zukocinski, J. Phys. Chem. B 109, 2977 (2005). 10.1021/jp0468511 (Pubitemid 40304479)
29. P. Bryk, O. Pizio, and S. Sokolowski, J. Chem. Phys. 122, 194904 (2005). 10.1063/1.1898484 (Pubitemid 40914352)
30. Z. D. Li, D. P. Cao, and J. Z. Wu, J. Chem. Phys. 122, 224701 (2005). 10.1063/1.1924603 (Pubitemid 40844902)
31. D. P. Cao and J. Z. Wu, Langmuir 22, 2712 (2006). 10.1021/la0527588
32. Z. D. Li and J. Z. Wu, J. Chem. Phys. 126, 144904 (2007). 10.1063/1.2715595 (Pubitemid 46610022)
33. L. G. MacDowell and P. Bryk, Phys. Rev. E 75, 061609 (2007). 10.1103/PhysRevE.75.061609 (Pubitemid 47143690)
34. A. Malijevsky, P. Bryk, and S. Sokolowski, Phys. Rev. E 72, 032801 (2005). 10.1103/PhysRevE.72.032801 (Pubitemid 41778131)
35. X. Xu, D. P. Cao, X. Zhang, and W. Wang, Phys. Rev. E 79, 021805 (2009). 10.1103/PhysRevE.79.021805
36. P. Bryk, R. Roth, K. R. Mecke, and S. Dietrich, Phys. Rev. E 68, 031602 (2003). 10.1103/PhysRevE.68.031602
37. X. Xu and D. P. Cao, J. Chem. Phys. 133, 121101 (2010). 10.1063/1.3490794
38. S. Tripathi and W. G. Chapman, J. Chem. Phys. 122, 094506 (2005). 10.1063/1.1853371 (Pubitemid 41042156)
39. C. P. Emborsky, Z. Z. Feng, K. R. Cox, and W. G. Chapman, Fluid Phase Equilib. 306, 15 (2011). 10.1016/j.fluid.2011.02.007
40. A. Yethiraj and C. E. Woodward, J. Chem. Phys. 102, 5499 (1995). 10.1063/1.469279
41. C. N. Patra and A. Yethiraj, J. Chem. Phys. 118, 4702 (2003). 10.1063/1.1543141
42. M. Mller, L. G. MacDowell, and A. Yethiraj, J. Chem. Phys. 118, 2929 (2003). 10.1063/1.1535893
43. M. Mller and L. G. MacDowell, J. Phys.: Condens. Matter 15, R609 (2003). 10.1088/0953-8984/15/19/201
44. K. C. Daoulas, M. Mller, J. de Pablo, P. Nealey, and G. Smith, Soft Matter 2, 573 (2006). 10.1039/b602610a (Pubitemid 43938473)
45. J. Wang and M. Mller, Macromolecules 42, 2251 (2009). 10.1021/ma8026047
46. D. Cao, T. Jiang, and J. Wu, J. Chem. Phys. 124, 164904 (2006). 10.1063/1.2186323
47. H. Chen, Z. Ye, J. Cai, H. Liu, Y. Hu, and J. Jiang, J. Phys. Chem. B 111, 5927 (2007). 10.1021/jp068784b (Pubitemid 46918224)
48. P. Bryk and L. G. MacDowell, J. Chem. Phys. 129, 104901 (2008). 10.1063/1.2976339
49. P. G. de Gennes, Scaling Concepts in Polymer Physics (Cornell University Press, Ithaca, 1979).
50. D. Chandler and L. R. Pratt, J. Chem. Phys. 65, 2925 (1976). 10.1063/1.433529
51. J. Melenkevitz, J. G. Curro, and K. S. Schweizer, J. Chem. Phys. 99, 5571 (1993). 10.1063/1.465949
52. C. J. Grayce and K. S. Schweizer, J. Chem. Phys. 100, 6846 (1994). 10.1063/1.467044
53. C. J. Grayce, A. Yethiraj, and K. S. Schweizer, J. Chem. Phys. 100, 6857 (1994). 10.1063/1.467045
54. J. G. Curro and K. S. Schweizer, J. Chem. Phys. 87, 1842 (1987). 10.1063/1.453197
55. K. S. Schweizer and J. G. Curro, in Advances in Chemical Physics, Vol. XCVIII, edited by, I. Prigogine, and, S. A. Rice, (Wiley, New York, 1997), pp. 1-141.
56. M. P. Taylor and J. E. G. Lipson, Fluid Phase Equilib. 150, 641 (1998). 10.1016/S0378-3812(98)00343-4
57. A. Yethiraj, H. Fynewever, and C.-Y. Shew, J. Chem. Phys. 114, 4323 (2001). 10.1063/1.1348031 (Pubitemid 32255059)
58. R. Roth, R. Evans, A. Lang, and G. Kahl, J. Phys.: Condens. Matter 14, 12063 (2002). 10.1088/0953-8984/14/46/313 (Pubitemid 35434009)
59. Y. X. Yu and J. Z. Wu, J. Chem. Phys. 117, 10156 (2002). 10.1063/1.1520530
60. Y. Rosenfeld, Phys. Rev. Lett. 63, 980 (1989). 10.1103/PhysRevLett.63.980
61. Y. Tang and B. C.-Y. Lu, Mol. Phys. 90, 215 (1997), see also Ref. 10.1080/002689797172697
62. Y. Tang and B. C.-Y. Lu, Fluid Phase Equilib. 190, 149 (2001). 10.1016/S0378-3812(01)00600-8 (Pubitemid 33124312)
63. P. Attard, J. Chem. Phys. 91, 3072 (1989). 10.1063/1.456930