Carbon nanotubes modification with polyaniline: Revealing mechanism by mathematical modeling method

Artem Rukhov, Tatyana Dyachkova, Irina Anosova, Evgeniy Tugolukov, Elena Burakova, Evgeniy Galunin

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

The process of carboxylated carbon nanotubes (CNT) modification with polyaniline (PANI) has been studied by molecular dynamics methods. It is shown that the formation of dimers and phenazine oligomeric products takes place on the surface of CNT, after which desorption takes place, and the growth of macromolecular PANI chains occurs in the reaction mass bulk. Carboxylate groups have an orienting effect on the arrangement of PANI molecules in the formation of the modifying layer, therefore, the properties of synthesized composites are affected not only by the presence of functional groups on the CNT surface, but also by the degree of functionalization. An approach is proposed to determine the degree of preliminary functionalization of CNT by carboxylate groups, which ensures the formation of the uniform PANI coating and the highest electrical capacity and conductivity of the composites.

Original languageEnglish
Title of host publicationProspects of Fundamental Sciences Development, PFSD 2017 - Proceedings of the XIV International Conference of Students and Young Scientists
EditorsAnna Godymchuk, Liudmyla Rieznichenko
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735415874
DOIs
Publication statusPublished - 3 Nov 2017
Externally publishedYes
Event14th International Conference of Students and Young Scientists on Prospects of Fundamental Sciences Development, PFSD 2017 - Tomsk, Russian Federation
Duration: 25 Apr 201728 Apr 2017

Publication series

NameAIP Conference Proceedings
Volume1899
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference14th International Conference of Students and Young Scientists on Prospects of Fundamental Sciences Development, PFSD 2017
CountryRussian Federation
CityTomsk
Period25.4.1728.4.17

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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  • Cite this

    Rukhov, A., Dyachkova, T., Anosova, I., Tugolukov, E., Burakova, E., & Galunin, E. (2017). Carbon nanotubes modification with polyaniline: Revealing mechanism by mathematical modeling method. In A. Godymchuk, & L. Rieznichenko (Eds.), Prospects of Fundamental Sciences Development, PFSD 2017 - Proceedings of the XIV International Conference of Students and Young Scientists [060022] (AIP Conference Proceedings; Vol. 1899). American Institute of Physics Inc.. https://doi.org/10.1063/1.5009893