Building of Poly(Imino Ketone) Chains Model via Molecular Simulation

Abstract:

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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:

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 et al., "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

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$35.00

[1] Chang, G. j., Luo, X., Zhang, L. and Lin, R. X., Macromolecules, Vol. 40 (2007), p.8625.

[2] Haag W. O., Lago R. M., Weisz P. B., Faraday Discuss Chem Soc, Vol. 72 (1981), p.317.

[3] Subramanian V, Asirvatham P S. Chemical Physics Letters, Vol. 342 (2001), p.603.

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