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Computer simulations on switching effect of nanopores modified by dual-responsive block polymers

CHEN Zheng1 WANG Li1 ZHOU Jian

(1.School of Chemistry and Chemical Engineering, Guangdong Provincial Key Laboratory for Green Chemical Product Technology, South China University of Technology, Guangzhou, Guangdong, China 510640)
【Knowledge Link】polymer

【Abstract】The switching effect of the dual-responsive block polymer modified nanopore was studied by computer simulation method (dissipative particle dynamics). The dual-responsive block polymers were grafted into nanopores with temperature responsive (N-isopropylacrylamide, PNIPAM) and pH responsive (acrylic acid, PAA) polymers. The effect of different block sequences (wall-PNIPAM-PAA or wall-PAA-PNIPAM) on the nanopore switching was studied. The results show that only the wall-PNIPAM-PAA block sequence can realize the different switching effects of nanopores under different conditions. Meanwhile, the effects of different grafting density, chain length and different block ratio on the nanopore switching effect were also investigated. The results show that different nanopores can be realized at the moderate to high grafting density, the suitable chain length and the medium block ratio, which can be used to control the size of the switch.

【Keywords】 computer simulation; nanopore; polymers; pH-responsive; temperature-responsive; switching effect;


【Funds】 National Natural Science Foundation of China (21776093) Natural Science Foundation of Guangdong Province (2014A030312007)

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This Article


CN: 11-1946/TQ

Vol 70, No. 01, Pages 271-279

January 2019


Article Outline



  • Introduction
  • 1 DPD simulation
  • 2 Results and discussion
  • 3 Conclusions
  • References