Molecular dynamics simulation of polyethylene on single wall carbon nanotube. 2007

Hua Yang, and Yong Chen, and Yu Liu, and Wen Sheng Cai, and Ze Sheng Li
Department of Chemistry, State Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin 300071, People's Republic of China.

Molecular dynamics simulations are carried out on the isothermal crystallization process of single polyethylene chains with different chain lengths on the single wall carbon nanotube. This process is summarized as two steps, i.e., adsorption and orientation, and the bond-orientational order parameter is used to show the details of this process. The results show that the attractive van der Waals interactions control the adsorption and orientation of polyethylene on single wall carbon nanotube, and as the chain length increases, more microstructures appear in the last ordered structure. The stems of the ordered structure align parallel to the single wall carbon nanotube axis.

UI MeSH Term Description Entries

Related Publications

Hua Yang, and Yong Chen, and Yu Liu, and Wen Sheng Cai, and Ze Sheng Li
July 2020, Scientific reports,
Hua Yang, and Yong Chen, and Yu Liu, and Wen Sheng Cai, and Ze Sheng Li
July 2007, Journal of computational chemistry,
Hua Yang, and Yong Chen, and Yu Liu, and Wen Sheng Cai, and Ze Sheng Li
November 2009, ACS nano,
Hua Yang, and Yong Chen, and Yu Liu, and Wen Sheng Cai, and Ze Sheng Li
March 2016, Journal of molecular graphics & modelling,
Hua Yang, and Yong Chen, and Yu Liu, and Wen Sheng Cai, and Ze Sheng Li
March 2010, ACS applied materials & interfaces,
Hua Yang, and Yong Chen, and Yu Liu, and Wen Sheng Cai, and Ze Sheng Li
April 2023, Journal of molecular modeling,
Hua Yang, and Yong Chen, and Yu Liu, and Wen Sheng Cai, and Ze Sheng Li
July 2022, Physical chemistry chemical physics : PCCP,
Hua Yang, and Yong Chen, and Yu Liu, and Wen Sheng Cai, and Ze Sheng Li
August 2022, International journal of molecular sciences,
Hua Yang, and Yong Chen, and Yu Liu, and Wen Sheng Cai, and Ze Sheng Li
March 2024, Scientific reports,
Hua Yang, and Yong Chen, and Yu Liu, and Wen Sheng Cai, and Ze Sheng Li
March 2024, Nanomaterials (Basel, Switzerland),
Copied contents to your clipboard!