Paper Title:
Building of Poly(Imino Ketone) Chains Model via Molecular Simulation
  Abstract

Based on different aromatic dibromides and diamines, using Material Studio software and molecular simulation method, Poly(imino ketone) (PIK), Poly(imino ketone ketone) (PIKK), Poly(imino imino ketone) (PIIK), Poly(imino imino ketone ketone) (PIIKK), Flourene-PIIK and Naphthyl-PIIK, respectively, were designed as six different structures of polymers. And through the method of molecular mechanics and molecular dynamics the single-molecule polymer chain model and the aggregation-state model with three-dimensional periodic boundary conditions would be built. Theoretically, the established model has been verified availably after optimization based on molecular mechanics and molecular dynamics.

  Info
Periodical
Chapter
Chapter 7: Functional Materials
Edited by
Huixuan Zhang, Ye Han, Fuxiao Chen and Jiuba Wen
Pages
1306-1309
DOI
10.4028/www.scientific.net/AMM.117-119.1306
Citation
G. J. Chang, Y. Xu, H. J. Hu, L. D. Wei, S. F. Sun, H. Y. Sun, C. Liu, Y. W. Xu, X. Luo, F. H. Zhu, L. Zhang, R. X. Lin, "Building of Poly(Imino Ketone) Chains Model via Molecular Simulation", Applied Mechanics and Materials, Vols. 117-119, pp. 1306-1309, 2012
Online since
October 2011
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Kwang Joon Hong, Young Nam Chun, Bong Ju Lee
Abstract:We developed a device that makes possible the normal production of low-temperature plasma under atmospheric pressure. For plasma generation,...
3088
Authors: Rui Yang, Ying Liu, Jian Yu
Abstract:Photo-oxidation of polyethylene (PE) has been studied thoroughly these years owing to its high output and various applications, which makes...
2037
Authors: Zhe Chen, W. Huang, Wen Yu, Peng Fei Fang, Shao Jie Wang, J. Xiong, Y.S. Xu
Abstract:The free volume property and intermolecular interaction (especially hydrogen bonding) of poly (ether-urethane) (PEU) irradiated by neutron...
61
Authors: Marta M. D. Ramos, Helena M.G. Correia, Hélder M.C. Barbosa
Abstract:Semiconductor polymers are successfully implemented in a broad range of applications such as light emitting diodes, field effect transistors...
332
Authors: Josy Anteveli Osajima, Carla Cristina Schmitt Cavalheiro, Miguel Guillermo Neumann
Chapter 8: Films and Membranes
Abstract:The polystyrene (PS) has a variety of applications. Many mechanisms have been proposed for the degradation of the polymer, but a consistent...
820