聚酰亚胺玻璃化转变的动力学模拟<sup>*</sup>

doi:10.11896/j.issn.1005-023X.2017.012.028

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Abstract Due to their excellent properties such as excellent thermal stability, environmental resistance, good mechanical strength and so forth, polyimides are used in a wide range of field. Polyimides have attracted much attention for the past few years. Glass transition temperature (T_g) directly influence the usage temperature of polyimides. Therefore the study of T_g is significant for production and utilization of polyimides. So far, experimental study is the most common method to measure the T_g of polyimide. However, there are many shortcomings including operation error and instrument error. In this work, the molecular dynamics simulation was employed to predict T_g for polyimides with different structure. At first, the amorphous cell model of polyimide was built up with AC module in Materials Studio, and then the simulation was performed in NPT ensemble at 425-650 K. Finally, the specific volume was sketched out as function of temperature, and the least-square method was used to obtain the T_g.

Key words： polyimide glass transition temperature molecular dynamics simulation

Published: 08 May 2018

CLC number:

O631.1+1

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	Articles by authors
	YANG Mingjun
	DENG Binbin
	MA Zhan

Cite this article:

YANG Mingjun,DENG Binbin,MA Zhan. A Molecular Dynamics Simulation of Polyimide Glass Transition[J]. Materials Reports, 2017, 31(12): 136-139.

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http://www.mater-rep.com/EN/10.11896/j.issn.1005-023X.2017.012.028 OR http://www.mater-rep.com/EN/Y2017/V31/I12/136

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