Coarse-grained computer simulation of nanoconfined polyamide-6,6

Macromolecules

Volumn 44, Issue 8, 2011, Pages 3117-3128

  Eslami, Hossein ^a,b   Karimi Varzaneh, Hossein Ali ^a   Müller Plathe, Florian ^a  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^b PERSIAN GULF UNIVERSITY   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC SIMULATIONS; BOLTZMANN INVERSION; CHEMICAL STRUCTURE; COARSE-GRAINED; COMPUTER SIMULATION MODEL; CONFINED POLYMERS; CONSTANT TEMPERATURE; DEGREES OF FREEDOM; FORCE FIELDS; LENGTH SCALE; LONG CHAINS; NARROW PORES; PARALLEL COMPONENT; RADIUS OF GYRATION; SURFACE AREA; SURFACE NORMALS; TIME-SCALES;

COMPUTATIONAL METHODS; DISTRIBUTION FUNCTIONS; GRAPHENE; POLYMERS;

COMPUTER SIMULATION;

EID: 79955045988     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma102320v     Document Type: Article

References (62)

1. Chauveteau, G.; Tirrell, M.; Omari, A. J. Colloid Interface Sci. 1984, 100, 41
2. Allen, R. C.; Budowle, B. Gel Electrophoresis of Proteins and Nucleic Acids: Selected Techniques; de Gruyter: Berlin, 1994.
3. Peng, X.; Jin, J.; Nakamura, Y.; Ohno, T.; Ichinose, I. Nature Nanotechnol. 2009, 4, 353
4. Lau, K. K. S.; Bico, J.; Tao, K. B. K.; Chhowalla, M.; Amaratunga, G. A. J.; Milne, W. I.; McKinley, G. H.; Gleason, K. K. Nano Lett. 2003, 3, 1701
5. Naper, D. H. Polymeric Stabilization of Colloidal Dispersions; Academic: London, 1983.
6. Lal, M.; Watson, G. M. ACS Symp. Ser. 1984, 240, 205
7. Kohn, M. Nylon Plastics Handbook; Hanser-Gardner Publications: New York, 1995.
8. Sridhar, S.; Smitha, B.; Mayor, S.; Prathab, B.; Aminabhavi, T. M. J. Mater. Sci. 2007, 42, 9392
9. Eslami, H.; Mozaffari, F.; Moghadasi, J.; Müller-Plathe, F. J. Chem. Phys. 2008, 129, 94702
10. Eslami, H.; Müller-Plathe, F. J. Phys. Chem. B 2009, 113, 5568
11. Eslami, H.; Müller-Plathe, F. J. Phys. Chem. B 2010, 114, 387
12. Bhushan, B.; Israelachvili, J. N.; Landman, U. Nature (London) 1995, 374, 607
13. Israelachvili, J. N.; McGuiggan, P. M.; Homola, A. M. Science 1988, 240, 189
14. Krim, J.; Watts, E. T.; Digel, J. J. Vac. Sci. Technol. A 1990, 8, 3417
15. Zhu, L.; Cheng, S. Z. D.; Huang, P.; Ge, Q.; Quirk, R. P.; Thomas, E. L.; Lotz, B.; Hsiao, B. S.; Yeh, F.; Liu, L. Adv. Mater. 2002, 14, 31
16. Sun, L.; Zhu, L.; Ge, Q.; Quirk, R. P.; Xue, C.; Cheng, S. Z. D.; Hsiao, B. S.; Avila-Orta, C. A.; Sics, I.; Cantino, M. E. Polymer 2004, 45, 2931
17. Ellison, C. J.; Mundra, M. K.; Torkelson, J. M. Macromolecules 2005, 38, 1767
18. Bureau, L. Rev. Sci. Instrum. 2007, 78, 065110
19. Yousfi, M.; Porcar, L.; Lindner, P.; Boué, F.; Rharbi, Y. Macromolecules 2009, 42, 2190
20. Baber, S.; Zhou, M.; Lin, Q. L.; Naalla, M.; Jia, Q. X.; Lu, Y.; Luo, H. M. Nanotechnology 2010, 21, 165603
21. Kim, S.; Mundra, M. K.; Roth, C. B.; Torkelson, J. M. Macromolecules 2010, 43, 5158
22. Schoen, M.; Rhykerd, C. L.; Diestler, D. J.; Cushman, J. H. Science 1989, 245, 1223
23. Todd, B. D.; Evans, D. J.; Daivis, P. J. Phys. Rev. E 1995, 52, 1627
24. Gao, J.; Luedtke, W. D.; Landman, U. Phys. Rev. Lett. 1997, 79, 705
25. Wang, J. C.; Fichthorn, K. A. J. Chem. Phys. 2000, 112, 8252
26. Yethiraj, A. J. Chem. Phys. 1994, 101, 2489
27. Gao, J.; Luedtke, W. D.; Landman, U. J. Phys. Chem. B 1997, 101, 4023
28. Aoyagi, T.; Takimoto, J.; Doi, M. J. Chem. Phys. 2001, 115, 552
29. Jeon, J. H.; Kim, S. H.; Jo, W. H. Macromol. Theory Simul. 2002, 11, 147
30. Cui, S. T.; McCabe, C.; Cummings, P. T. J. Chem. Phys. 2003, 118, 8941
31. Choudhury, N.; Pettitt, B. M. J. Am. Chem. Soc. 2005, 127, 3556
32. Marti, J.; Nagy, G.; Gordillo, M. C.; Guardia, E. J. Chem. Phys. 2006, 124, 094703
33. Müller-Plathe, F. ChemPhysChem 2002, 3, 754
34. Milano, G.; Müller-Plathe, F. J. Phys. Chem. B 2005, 109, 18609
35. Santangelo, G.; di Matteo, A.; Müller-Plathe, F.; Milano, G. J. Phys. Chem. B 2007, 111, 2765
36. Harmandaris, V. A.; Reith, D.; van der Vegt, N. F. A.; Kremer, K. Macromol. Chem. Phys. 2007, 208, 2109
37. Spyriouni, T.; Tzoumanekas, C.; Theodorou, D.; Müller-Plathe, F.; Milano, G. Macromolecules 2007, 40, 3876
38. Carbone, P.; Karimi-Varzaneh, H. A.; Chen, X.; Müller-Plathe, F. J. Chem. Phys. 2008, 128, 064904
39. Qian, H.-J.; Carbone, P.; Chen, X.; Karimi-Varzaneh, H. A.; Liew, C. C.; Müller-Plathe, F. Macromolecules 2008, 41, 9919
40. Wu, H.; Borhan, A.; Fichthorn, K. A. J. Low Temp. Phys. 2009, 157, 277
41. Sanghi, T.; Aluru, N. R. J. Chem. Phys. 2010, 132, 044703
42. Abrams, C. A.; Site, L. D.; Kremer, K. Phys. Rev. E 2003, 7, 021807
43. Huang, D. M.; Faller, R.; Do, K.; Moule, A. J. J. Chem. Theory Comput. 2010, 6, 526
44. Zwicker, J.; Lovett, R. J. J. Chem. Phys. 1990, 93, 6752
45. Delhommelle, J.; Cummings, P. T. Phys. Rev. B 2005, 72, 172201
46. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; DiNola, A.; Haak, J. R. J. Chem. Phys. 1984, 81, 3684
47. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon Press: Oxford, 1987.
48. Müller-Plathe, F. Comput. Phys. Commun. 1993, 78, 77
49. Tarmyshov, K.; Müller-Plathe, F. J. Chem. Inf. Model. 2005, 45, 1943
50. Ryckaert, J. P.; Ciccotti, G.; Berendsen, H. J. C. J. Comput. Phys. 1997, 23, 327
51. Müller-Plathe, F.; Brown, D. Comput. Phys. Commun. 1991, 64, 7
52. Goudeau, S.; Charlot, M.; Vergelati, C.; Müller-Plathe, F. Macromolecules 2004, 37, 8072
53. Goudeau, S.; Charlot, M.; Müller-Plathe, F. J. Phys. Chem. B 2004, 108, 18779
54. Theoretical Physical Chemistry TU Darmstadt Home Page. http://www.theo.chemie.tu-darmstadt.de.
55. Wang, Y. Z.; Chia, W. J.; Hsieh, K. H.; Tseng, H. C. J. Appl. Polym. Sci. 1992, 44, 1731
56. Kamio, K.; Moorthi, K.; Theodorou, D. N. Macromolecules 2007, 40, 710
57. Williams, A. D.; Flory, P. J. J. Polym. Sci., Part A2 1967, 5, 417
58. Karimi-Varzaneh, H. A.; Carbone, P.; Müller-Plathe, F. J. Chem. Phys. 2008, 129, 154904
59. Yethiraj, A.; Hall, C. K. Macromolecules 1990, 23, 1865
60. Khare, R.; de Pablo, J. J.; Yethiraj, A. Macromolecules 1996, 29, 7910
61. Williams, G.; Watt, D. C. Trans. Faraday Soc. 1970, 66, 80
62. Borodin, O.; Smith, G. D.; Bandyopadhyaya, R.; Byutner, O. Macromolecules 2003, 36, 7873