Molecular dynamics study of the disruption of H-bonds by water molecules and its diffusion behavior in amorphous cellulose

Modern Physics Letters B

Volumn 26, Issue 14, 2012, Pages

  Liao, Ruijin ^a   Zhu, Mengzhao ^a,b   Zhou, Xin ^a   Zhang, Fuzhou ^a   Yan, Jiaming ^a   Zhu, Wenbin ^b   Gu, Chao ^b  

^a CHONGQING UNIVERSITY   (China)

^b STATE GRID SHANDONG ELECTRIC POWER RESEARCH INSTITUTE   (China)

Author keywords

Amorphous cellulose; diffusion coefficient; hydrogen bonding; molecular dynamics; water molecules

Indexed keywords

EID: 84860787733     PISSN: 02179849     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0217984912500881     Document Type: Article

References (25)

1. A. E. Cohen, Phys. Rev. Lett. 91 (2003) 235506.
2. P. S. Crozier and M. J. Stevens, J. Chem. Phys. 118 (2003) 3855.
3. H. Liu, Y. Zhu and E. Maginn, Macromolecules 43 (2010) 4805.
4. J.-M. Y. Carrillo and A. V. Dobrynin, Macromolecules 43 (2010) 2589.
5. P.-Y. Hsiao, Y.-F. Weia and H.-C. Chang, Soft Matter 7 (2011) 1207.
6. M. E. Arsenault, H. Zhao, P. K. Purohit, Y. E. Goldman and H. H. Bau, Biophys. J. 93 (2007) L42.
7. S. Wang, H.-C. Chang and Y. Zhu, Macromolecules 43 (2010) 7402.
8. T. Sakaue, Macromolecules 40 (2007) 5206.
9. B. Xue and W. Wang, J. Chem. Phys. 122 (2005) 194912.
10. Q. Zhang, K. Li and H. Tang, Int. J. Mod. Phys. B 25 (2011) 1899.
11. A. K. Chattopadhyay and D. Marenduzzo, Phys. Rev. Lett. 98 (2007) 088101.
12. N. Hoda and S. Kumar, Langmuir 23 (2007) 1741.
13. N. Hoda and S. Kumar, J. Chem. Phys. 128 (2008) 164907.
14. K. Kremer and G. S. Grest, J. Chem. Phys. 92 (1990) 5057.
15. Y. F. Wei and P.-Y. Hsiao, J. Chem. Phys. 127 (2007) 064901.
16. Z. Ou and M. Muthukumar, J. Chem. Phys. 123 (2005) 074905.
17. Q. Liao, J.-M. Y. Carrillo, A. V. Dobrynin and M. Rubinstein, Macromolecules 40 (2007) 7671.
18. M. Doi and S. F. Edwards, The Theory of Polymer Dynamics (Clarendon, Oxford, 1986).
19. P. E. Rouse, J. Chem. Phys. 21 (1953) 1272.
20. C. M. Jens and R. Q. Stephen, Phys. Rev. Lett. 84 (2000) 5014.
21. M. Febbo, A. Milchev, V. Rostiashvili, D. Dimitrov and T. A. Vilgis, J. Chem. Phys. 129 (2008) 154908.
22. K. Mussawisade, M. Ripoll, R. G. Winkler and G. Gompper, J. Chem. Phys. 123 (2005) 144905.
23. Q. Cao, C. Zuo, L. Li and G. Yan, Biomicrofluidics 5 (2011) 044119.
24. B. Xue, J. Wang and W. Wang, J. Chem. Phys. 119 (2003) 7534.
25. B. Xue, J. Wang and W. Wang, Int. J. Mod. Phys. B 18 (2004) 2123.