Table of Contents Author Guidelines Submit a Manuscript
International Journal of Polymer Science
Volume 2014 (2014), Article ID 506793, 9 pages
http://dx.doi.org/10.1155/2014/506793
Research Article

Molecular Dynamics Simulation of Chain Folding for Polyethylene Subjected to Vibration Excitation

1State Key Laboratory of Structural Analysis for Industrial Equipment, Department of Engineering Mechanics, Dalian University of Technology, Dalian 116023, China
2Department of Engineering Mechanics, Dalian University of Technology, Dalian 116024, China

Received 7 March 2014; Accepted 16 July 2014; Published 5 August 2014

Academic Editor: Haojun Liang

Copyright © 2014 Junfeng Gu et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Linked References

  1. R. P. Feynman, “There's plenty of room at the bottom,” Journal of Microelectromechanical Systems, vol. 1, no. 1, pp. 60–66, 1992. View at Publisher · View at Google Scholar · View at Scopus
  2. J. P. Ibar, “Control of polymer properties by melt vibration technology: a review,” Polymer Engineering and Science, vol. 38, no. 1, pp. 1–20, 1998. View at Publisher · View at Google Scholar · View at Scopus
  3. A. Kikuchi, J. P. Coulter, D. Angstadt, and A. Pinarbasi, “Localized material and processing aspects related to enhanced recycled material utilization through vibration-assisted injection molding,” Journal of Manufacturing Science and Engineering, vol. 127, no. 2, pp. 402–410, 2005. View at Publisher · View at Google Scholar · View at Scopus
  4. A. Kikuchi, J. P. Coulter, and R. R. Gomatam, “Assessing the effect of processing variables on the mechanical response of polysytrene molded using vibration-assisted injection molding process,” Journal of Applied Polymer Science, vol. 99, no. 5, pp. 2603–2613, 2006. View at Publisher · View at Google Scholar · View at Scopus
  5. Y. Feng, J. Qu, H. He, G. Jin, X. Cao, and J. Song, “Simulation of nonisothermal flow of melt during melting process of vibration-induced polymer extruder,” Journal of Applied Polymer Science, vol. 102, no. 6, pp. 5825–5840, 2006. View at Publisher · View at Google Scholar · View at Scopus
  6. Y. Li, K. Shen, and J. Zhan, “Improving rheological property of polymer melt via low frequency melt vibration,” Journal of Applied Polymer Science, vol. 102, no. 6, pp. 5292–5296, 2006. View at Publisher · View at Google Scholar · View at Scopus
  7. B. Li, N. Zhou, and Y. Wang, “Study on properties of filling systems in plastic axial vibration injection processing,” Polymer-Plastics Technology and Engineering, vol. 47, no. 4, pp. 335–340, 2008. View at Publisher · View at Google Scholar · View at Scopus
  8. Y. Lu, H. Peng, K. Shen, and Z. Yan, “The study on the creep of calcium carbonate-filled polypropylene (PP/CaCO3) prepared at different vibration condition,” Polymer Bulletin, vol. 66, no. 1, pp. 147–164, 2011. View at Publisher · View at Google Scholar · View at Scopus
  9. W. Tian, K. L. Yung, Y. Xu, L. Huang, J. Kong, and Y. Xie, “Enhanced nanoflow behaviors of polymer melts using dispersed nanoparticles and ultrasonic vibration,” Nanoscale, vol. 3, no. 10, pp. 4094–4100, 2011. View at Publisher · View at Google Scholar · View at Scopus
  10. G. Kotzev, S. Djoumaliisky, M. Natova, and R. Benavente, “Vibration-assisted melt compounding of polypropylene/carbon black composites: processability, filler dispersion and mechanical properties,” Journal of Reinforced Plastics and Composites, vol. 31, no. 20, pp. 1353–1363, 2012. View at Publisher · View at Google Scholar · View at Scopus
  11. Y. Zhang, J. Zhang, X. Qian, P. Deng, and K. Shen, “Morphology evolution including formation of cylindrulite in isotactic polypropylene derived from periodical shear field,” Polymer, vol. 53, no. 19, pp. 4318–4327, 2012. View at Publisher · View at Google Scholar · View at Scopus
  12. M. Imai, K. Kaji, and T. Kanaya, “Orientation fluctuations of poly(ethylene terephthalate) during the induction period of crystallization,” Physical Review Letters, vol. 71, no. 25, pp. 4162–4165, 1993. View at Publisher · View at Google Scholar · View at Scopus
  13. K. Kaji, K. Nishida, T. Kanaya, G. Matsuba, T. Konishi, and M. Imai, “Spinodal crystallization of polymers: crystallization from the unstable melt,” Advances in Polymer Science, vol. 191, no. 1, pp. 187–240, 2005. View at Publisher · View at Google Scholar · View at Scopus
  14. B. Wunderlich, “Thermodynamics and kinetics of crystallization of flexible molecules,” Journal of Polymer Science B: Polymer Physics, vol. 46, no. 24, pp. 2647–2659, 2008. View at Publisher · View at Google Scholar · View at Scopus
  15. P. Panine, E. Di Cola, M. Sztucki, and T. Narayanan, “Early stages of polymer melt crystallization,” Polymer, vol. 49, no. 3, pp. 676–680, 2008. View at Publisher · View at Google Scholar · View at Scopus
  16. P. R. Sundararajan and T. A. Kavassalis, “Molecular dynamics study of polyethylene chain folding: the effects of chain length and the torsional barrier,” Journal of the Chemical Society, Faraday Transactions, vol. 91, no. 16, pp. 2541–2549, 1995. View at Publisher · View at Google Scholar · View at Scopus
  17. C. Liu and M. Muthukumar, “Langevin dynamics simulations of early-stage polymer nucleation and crystallization,” The Journal of Chemical Physics, vol. 109, no. 6, pp. 2536–2542, 1998. View at Publisher · View at Google Scholar · View at Scopus
  18. J. P. K. Doye, “Computer simulations of the mechanism of thickness selection in polymer crystals,” Polymer, vol. 41, no. 25, pp. 8857–8867, 2000. View at Publisher · View at Google Scholar · View at Scopus
  19. H. Meyer and F. Müller-Plathe, “Formation of chain-bolded structures in supercooled polymer melts examined by MD simulations,” Macromolecules, vol. 35, no. 4, pp. 1241–1252, 2002. View at Publisher · View at Google Scholar · View at Scopus
  20. M. Muthukumar, “Modeling polymer crystallization,” Advances in Polymer Science, vol. 191, no. 1, pp. 241–274, 2005. View at Publisher · View at Google Scholar · View at Scopus
  21. C. Luo and J. Sommer, “Coexistence of melting and growth during heating of a semicrystalline polymer,” Physical Review Letters, vol. 102, no. 14, Article ID 147801, 2009. View at Publisher · View at Google Scholar · View at Scopus
  22. T. Yamamoto, “Computer modeling of polymer crystallization: toward computer-assisted materials' design,” Polymer, vol. 50, no. 9, pp. 1975–1985, 2009. View at Publisher · View at Google Scholar · View at Scopus
  23. C. Li, P. Choi, and P. R. Sundararajan, “Simulation of chain folding in polyethylene: a comparison of united atom and explicit hydrogen atom models,” Polymer, vol. 51, no. 13, pp. 2803–2808, 2010. View at Publisher · View at Google Scholar · View at Scopus
  24. W. L. Jorgensen, D. S. Maxwell, and J. Tirado-Rives, “Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids,” Journal of the American Chemical Society, vol. 118, no. 45, pp. 11225–11236, 1996. View at Publisher · View at Google Scholar · View at Scopus
  25. G. A. Kaminski, R. A. Friesner, J. Tirado-Rives, and W. L. Jorgensen, “Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides,” Journal of Physical Chemistry B, vol. 105, no. 28, pp. 6474–6487, 2001. View at Publisher · View at Google Scholar · View at Scopus
  26. B. Hess, C. Kutzner, D. van der Spoel, and E. Lindahl, “GRGMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation,” Journal of Chemical Theory and Computation, vol. 4, no. 3, pp. 435–447, 2008. View at Publisher · View at Google Scholar · View at Scopus