Theoretical Simulation of the Interaction Between Cu and the Surface of Polyimides

Abstract

Abstract: Molecular mechanics simulation is used to study the static behavior of a metal Cu monolayer on the trilayer model of pyrometallic dianhydrideoxydianiline(PMDAODA). It is shown that the monolayer forms aggregates on the surface of PMDAODA. The reason is that the cohesive interaction between Cu atoms is stronger than the adhesive interaction between the Cu monolayer and the surface of PMDAODA. In the cohesion, the van der Waals interaction plays an important role, whereas in the adhesion, the electrostatic interaction is a dominant factor. Furthermore, by means of molecular dynamics simulation, the temperature influence on the interaction of Cu/PMDAODAinterface is studied.

Key words: Theoretical simulation, Metal/polymer interface, Interaction

CLC Number:

O641

TrendMD:

ZHANG XiuBin, LI ZeSheng, Lü ZhongYuan, YU KunQian, SUN ChiaChung. Theoretical Simulation of the Interaction Between Cu and the Surface of Polyimides[J]. Chem. J. Chinese Universities, 2001, 22(12): 2081.

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Theoretical Simulation of the Interaction Between Cu and the Surface of Polyimides

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