Ordered Adsorption of Polyethylene on Hydroxylated β-Cristobalite(100) Surface

Chem. J. Chinese Universities

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Ordered Adsorption of Polyethylene on Hydroxylated β-Cristobalite(100) Surface

MU Dan^1,2, LÜ Zhong-Yuan¹, HUANG Xu-Ri^1*, SUN Chia-Chung¹

1. State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China;
2. Department of Chemistry and Chemical Engineering, Zaozhuang University, Zaozhuang 277160, China

Received:2007-09-18 Revised:1900-01-01 Online:2008-10-10 Published:2008-10-10
Contact: HUANG Xu-Ri

Abstract

Abstract: The adsorption of polyethylene(PE) chain on the hydroxylated β-cristobalite(100) surface was studied by molecular dynamics simulations. The regular pattern of the surface acts as a template to guide the PE chain folding on the surface along [110] direction. There are two different kinds of configurations for PE chain adsorbed onto such a patterned surface depending on whether the environment is in vacuum or in solution, respectively. However, they both possess two-dimensional adsorption configurations. The adsorption of poly(ethylene oxide)(PEO) on the same surface is also simulated for comparison. The results of this polar polymer being adsorbed onto the polar surface are different from the former results.

Key words: Polyethylene, Surface adsorption, Molecular dynamics simutation

CLC Number:

O641

TrendMD:

MU Dan^1,2, LÜ Zhong-Yuan¹, HUANG Xu-Ri^1*, SUN Chia-Chung¹. Ordered Adsorption of Polyethylene on Hydroxylated β-Cristobalite(100) Surface[J]. Chem. J. Chinese Universities, doi: .

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Ordered Adsorption of Polyethylene on Hydroxylated β-Cristobalite(100) Surface

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