Effect of Different Particle Size of Nano-Zinc Oxide on the Surface Binding Energy in Polyimide/Zinc Oxide Composites


Article Preview

The surface binding energy between the polyimide(PI) and zinc oxide (ZnO) have been simulated using the molecular dynamics theory.The PI / ZnO model has been established by using Forcite program package of Materials Studio software.The total atoms number about 300 million, the radius of the nano-ZnO cluster model have five groups are respectively 0.5 nm, 1 nm, 1.5 nm, 2 nm, 2.5 nm.The effect of different particle size of nano-ZnO on surface binding energy in PI / ZnO composites was investigated. The relationship between the surface binding energy of PI / ZnO composites and the nano-Zno radius, the maximum of surface binding energy were obtained. The computed results show that the intermolecular bonds between nano-ZnO and PI are mainly van der waals bonds.And the surface atomic number of nano-ZnO increases along with the increasing of nano-ZnO radius, indicating that the increasing of contact surface between the nano-ZnO and PI, which lead to the surface binding energy increases, the total energy lower and the system more stable.



Advanced Materials Research (Volumes 785-786)

Edited by:

Lin Yu, Wanping Guo, Ming Sun and Jun He




J. Q. Lin et al., "Effect of Different Particle Size of Nano-Zinc Oxide on the Surface Binding Energy in Polyimide/Zinc Oxide Composites", Advanced Materials Research, Vols. 785-786, pp. 556-560, 2013

Online since:

September 2013




* - Corresponding Author

[1] Zheng Peng, He Guowen Li, Hengfeng. Recent Advances of Polyimide Based Nanocomposite Materials. Materials China. 2011, 30(12): 40-45.

[2] Yelin Zhong, Wei li, Jiongxi Pan. CaCO3 Toughening R-PVC The properties of materials research(A Study on the Properties of the CaCO3 Toughened R-PVC)[J]. China Synthetic Resin and Plastics1995(04).

[3] Almuth Hilger. Recent Investigations of Size and Interface Effects in Nanoparticle Composites Nova Acta Leopoldina NF 92, Nr. 340, 9–19 (2005).

[4] Li Zhou, Yanwen Tian etc ZnO Grain Size of MC Nylon/nanometer ZnO Compound Material Mechanics Performance. High Polymer Materials Science and Engineering (POL YMER MAT ERIALS SCIENCE AND ENGINEERING) 20102, 6(5): 43-46.

[5] Wenhu Yang, Ran Yi, Xu Yang. Effect of Particle Size and Dispersion on Dielectric Properties in ZnO/Epoxy Resin Composites, 2012, 13(3) 116-120.

DOI: https://doi.org/10.4313/teem.2012.13.3.116

[6] Bozhang Qian. Polyimide the domestic and foreign development analysis. World Plastics 2008, 26, 40-43.

[7] Abdalla M.O., Dean D., Campbell S. Viscoelastic and mechanical properties of thermoset PMR-type polyimide-clay nanocomposites. Polymer 2002, 43, 5887-5893.

DOI: https://doi.org/10.1016/s0032-3861(02)00498-6

[8] Jiang L.Y., Lei C.M., Wei K.H. Layered Silicates/Fluorinated Polyimide Nanocomposites for Advanced Dielectric Materials Applications. Adv. Mater. 2002, 14, 426-429.

DOI: https://doi.org/10.1002/1521-4095(20020318)14:6<426::aid-adma426>3.0.co;2-o

[9] Sava I, Resmerita A M, Lisa G, et al. Synthesis and Photochromic Behavior of New Polyimides Containning Azobenzence Side Groups[J]. Polymer, 2008, 49: 1475-1482.

DOI: https://doi.org/10.1016/j.polymer.2008.02.004

[10] Zhai Baoqing,Wang Duo. Tio2The development of modified polyimide functional materials [J]. New Chemical Materials,2008, 36(12): 103-105.

[11] Kensuke Akamatsu, Shingo Ikeda, Hidemi Nawafune. Surface Modification-Based Synthesis and Microstructural Tuning of Nanocomposite Layers: Monodispersed Copper Nanoparticles in Polyimide Resins. Chem. Mater. 2003, 15, 2488-2491.

DOI: https://doi.org/10.1021/cm034019n

[12] Liu Wenhui,Wu Jiandong Suyoung Yu. Effect of Nano Additive Size on the Space Charge Behaviour in Nanocomposite Polymer Material. Proceedings of the CSEE2009, 29, 61-65.

[13] Seunghwa Yang, Maenghyo Cho. Multi-scale modeling of cross-linked epoxy nanocomposites. Polymer 50 (2009) 945–952.

DOI: https://doi.org/10.1016/j.polymer.2008.11.054

Fetching data from Crossref.
This may take some time to load.