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ASME Press Select Proceedings
International Conference on Information Technology and Computer Science, 3rd (ITCS 2011)
Editor
V. E. Muhin ,
V. E. Muhin
National Technical University of Ukraine
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ISBN:
9780791859742
No. of Pages:
656
Publisher:
ASME Press
Publication date:
2011
eBook Chapter
17 Molecular Dynamics and Mesoscopic Simulation for the Miscibility of Polypropylene/Polyamide-11 Blends
By
Luxia Yang
,
Luxia Yang
School of Information,
Business College of Shanxi University
, Taiyuan 030031
, P R China
; ylxfyz328@163.com
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Yizheng Fu
,
Yizheng Fu
School of Materials Science and Engineering of North University of China
, Taiyuan 030031
, P R China
; Yizhengfu81@gmail.com
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Xiaoyan Liang
,
Xiaoyan Liang
School of Materials Science and Engineering of North University of China
, Taiyuan 030031
, P R China
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Liqiong Liao
Liqiong Liao
School of Materials Science and Engineering of North University of China
, Taiyuan 030031
, P R China
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Page Count:
4
-
Published:2011
Citation
Yang, L, Fu, Y, Liang, X, & Liao, L. "Molecular Dynamics and Mesoscopic Simulation for the Miscibility of Polypropylene/Polyamide-11 Blends." International Conference on Information Technology and Computer Science, 3rd (ITCS 2011). Ed. Muhin, VE, & Hu, WB. ASME Press, 2011.
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The miscibility of Polypropylene (PP)/Polyamide-11 (PA11) blends (with the weight ratio at 10/90, 30/70, 50/50, 70/30 and 90/10) are investigated by atomistic molecular dynamics (MD) and mesoscopic dynamic (MesoDyn) simulations. The Flory—Huggins parameters χ and the radial distribution functions of the inter-molecular atoms suggest that PP/PA11 90/10 blend was more miscible. The order parameter computed for different blends can also predict the blend miscibility, and at PP/PA11 90/10 blend, partial miscibility was observed. The morphologies of this study were correlated well with the reported data.
Abstract
Keywords
Introduction
Simulation Models and Protocols
Results and Discussion
Acknowledgments
References
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