Equation of state for macromolecules of variable flexibility in good solvents: A comparison of techniques for Monte Carlo simulations of lattice models

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 76, Issue 2, 2007, Pages

  Ivanov, V A ^a   An, E A ^a   Spirin, L A ^a   Stukan, M R ^a   Muller M ^b   Paul, W ^c   Binder, K ^c  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b UNIVERSITY OF GÖTTINGEN   (Germany)

^c JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EQUATIONS OF STATE; MACROMOLECULES; SEDIMENTATION; SOLVENTS; THERMODYNAMICS;

ATHERMAL BOND FLUCTUATION MODELS; HYDROSTATIC EQUILIBRIUM; SEDIMENTATION EQUILIBRIUM METHODS;

NEMATIC LIQUID CRYSTALS;

EID: 34547899471     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.76.026702     Document Type: Article

References (74)

1. P. J. Flory, Principles of Polymer Chemistry (Cornell University Press, Ithaca, 1953).
2. P. G. de Gennes, Scaling Concepts in Polymer Physics (Cornell University Press, Ithaca, 1979).
3. J. de Cloizeaux and G. Jannink, Polymers in Solution: Their Modelling and Structure (Clarendon Press, Oxford, 1990).
4. A. Yu. Grosberg, A. R. Khokhlov, Statistical Physics of Macromolecules (AIP Press, New York, 1994).
5. Monte Carlo and Molecular Dynamics Simulations in Polymer Science, edited by, K. Binder, (Oxford University Press, New York, 1995).
6. L. Schäfer, Excluded Volume Effects in Polymer Solutions (Springer-Verlag, Berlin, 1999).
7. M. Rubinstein and R. H. Colby, Polymer Physics (Oxford University Press, Oxford, 2003).
8. A. R. Khokhlov and A. N. Semenov, J. Stat. Phys. JSTPBS 0022-4715 10.1007/BF01017855 38, 161 (1985);
9. A. R. Khokhlov and A. N. Semenov, Macromolecules MAMOBX 0024-9297 10.1021/ma00156a025 19, 373 (1986).
10. See, e.g., V. A. Ivanov, W. Paul, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.477184 109, 5659 (1998);
11. J. A. Martemyanova, M. R. Stukan, V. A. Ivanov, M. Müller, W. Paul, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1888525 122, 174907 (2005), and references therein.
12. Simulation Methods for Polymers, edited by, M. J. Kotelyanskii, and, D. N. Theodorou, (M. Debber, New York, 2004).
13. G. Strobl, The Physics of Polymers (Springer, Berlin, 1996).
14. B. Widom, J. Stat. Phys. JSTPBS 0022-4715 10.1007/BF01011651 52, 1343 (1988).
15. N. Wilding, M. Müller, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.471889 105, 802 (1996).
16. K. Binder, M. Müller, P. Virnau, and L. G. MacDowell, Adv. Polym. Sci. APSIDK 0065-3195 173, 1 (2005), and references therein.
17. P. J. Flory, Proc. R. Soc. London, Ser. A PRLAAZ 1364-5021 234, 60 (1956);
18. P. J. Flory, Proc. R. Soc. London, Ser. A PRLAAZ 1364-5021 234, 73 (1956);
19. T. Odijk, Macromolecules MAMOBX 0024-9297 10.1063/1.460177 19, 2313 (1986);
20. A. N. Semenov and A. R. Khokhlov, Sov. Phys. Usp. SOPUAP 0038-5670 10.1070/PU1988v031n11ABEH005643 31, 988 (1986).
21. A. Baumgärtner, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.450439 84, 1905 (1986);
22. A. Kolinsky, J. Skolnick, and R. Yaris, Macromolecules MAMOBX 0024-9297 10.1021/ma00164a018 19, 2560 (1986);
23. M. R. Wilson and M. R. Allen, Mol. Phys. MOPHAM 0026-8976 10.1080/00268979300102261 80, 277 (1993);
24. M. Dijkstra and D. Frenkel, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.51.5891 51, 5891 (1995).
25. H. Weber, W. Paul, and K. Binder, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.59.2168 59, 2168 (1999).
26. H. H. Strey, V. A. Parsegian, and R. Podgornik, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.59.999 59, 999 (1999).
27. C. Vega, C. McBride, and L. G. MacDowell, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1389095 115, 4203 (2001);
28. C. McBride, C. Vega, and L. G. MacDowell, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.64.011703 64, 011703 (2001);
29. C. Vega, C. McBride, and L. G. MacDowell, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b107988n 4, 853 (2002);
30. C. McBride and C. Vega, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1517604 117, 10370 (2002).
31. A. R. Khokhlov, Polym. Sci. U.S.S.R. PYSCAN 0032-3950 10.1016/0032-3950(79)90157-6 21, 2185 (1979);
32. A. Yu. Grosberg and A. R. Khokhlov, Adv. Polym. Sci. APSIDK 0065-3195 41, 53 (1981).
33. V. A. Ivanov, M. R. Stukan, M. Müller, W. Paul, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1572812 118, 10333 (2003).
34. M. R. Stukan, V. A. Ivanov, M. Müller, W. Paul, and K. Binder, e-Polymers EPOLCI 1618-7229 062, (2003);
35. http://www.e-polymers.org.
36. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon Press, Oxford, 1987).
37. A. Bellemans and E. De Vos, J. Polym. Sci., Polym. Symp. JPYCAQ 0360-8905 42, 1195 (1973);
38. H. Okamoto, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.432523 64, 2686 (1976);
39. H. Okamoto, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.446265 79, 3976 (1983);
40. H. Okamoto, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.449252 83, 2587 (1985).
41. R. Dickman and C. K. Hall, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.451010 85, 3023 (1986).
42. D. Frenkel and B. Smit, Understanding Molecular Simulation. From Algorithms to Applications, 2nd ed. (Academic Press, New York, 2002).
43. D. P. Landau and K. Binder, A Guide to Monte Carlo Simulation is Statistical Physics (Cambridge University Press, Cambridge, 2005).
44. J. I. Siepmann, Mol. Phys. MOPHAM 0026-8976 10.1080/00268979000101591 70, 1145 (1990);
45. G. C. A. M. Mooij and D. Frenkel, Mol. Phys. MOPHAM 0026-8976 10.1080/00268979100102041 74, 41 (1991);
46. J. I. Siepmann and D. Frenkel, Mol. Phys. MOPHAM 0026-8976 10.1080/00268979200100061 75, 59 (1992);
47. D. Frenkel and B. Smit, Mol. Phys. MOPHAM 0026-8976 10.1080/ 00268979200100761 75, 983 (1992).
48. M. Müller and W. Paul, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.466937 100, 719 (1994).
49. R. Dickman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.453152 87, 2246 (1987);
50. R. Dickman and C. K. Hall, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.454973 89, 3168 (1988);
51. A. Hertanto and R. Dickman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.455243 89, 7577 (1988);
52. R. Dickman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.457479 91, 454 (1989).
53. H.-P. Deutsch and R. Dickman, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.459238 93, 8983 (1990).
54. M. R. Stukan, V. A. Ivanov, M. Müller, W. Paul, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1518006 117, 9934 (2002).
55. C. I. Addison, J.-P. Hansen, and A. A. Louis, ChemPhysChem CPCHFT 1439-4235 10.1002/cphc.200400524 6, 1760 (2005).
56. T. Biben, J.-P. Hansen, and J.-L. Barrat, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464726 98, 7330 (1993);
57. R. Piazza, T. Bellini, and V. Degiorgio, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.71.4267 71, 4267 (1993).
58. S. V. Savenko and M. Dijkstra, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.70.051401 70, 051401 (2004).
59. M. Dijkstra, J.-P. Hansen, and P. A. Madden, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.55.3044 55, 3044 (1997).
60. J.-P. Hansen, C. I. Addison, and A. A. Louis, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/17/45/001 17, S3185 (2005).
61. C. I. Addison, J.-P. Hansen, V. Krakoviak, and A. A. Louis, Mol. Phys. MOPHAM 0026-8976 10.1080/00268970500186086 103, 3045 (2005).
62. C. I. Addison, P.-A. Artola, J.-P. Hansen, and A. A. Louis, J. Phys. Chem. B JPCBFK 1089-5647 110, 3661 (2006).
63. P. C. Hohenberg and M. Barmatz, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.6.289 6, 289 (1972).
64. M. Dijkstra, R. van Roij, and R. Evans, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.63.051703 63, 051703 (2001);
65. R. van Roij, M. Dijkstra, and R. Evans, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2000-00155-0 49, 350 (2000).
66. I. Carmesin and K. Kremer, Macromolecules MAMOBX 0024-9297 10.1021/ma00187a030 21, 2819 (1988);
67. H.-P. Deutsch and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.459901 94, 2294 (1990).
68. K. Binder, J. Baschnagel, and W. Paul, Prog. Polym. Sci. PRPSB8 0079-6700 10.1016/S0079-6700(02)00030-8 28, 115 (2003).
69. W. Paul and N. Pistoor, Macromolecules MAMOBX 0024-9297 10.1021/ma00083a027 27, 1249 (1994).
70. V. Tries, W. Paul, J. Baschnagel, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473162 106, 738 (1997).
71. J. S. Rowlinson and B. Widom, Molecular Theory of Capillarity (Clarendon Press, Oxford, 1982).
72. A. Werner, F. Schmid, M. Müller, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.475118 107, 8175 (1997).
73. A. Werner, F. Schmid, M. Müller, and K. Binder, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.59.728 59, 728 (1999).
74. V. A. Baulin and A. R. Khokhlov, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.60.2973 60, 2973 (1999).