Molecular dynamics simulation on surface modification of carbon black with polyvinyl alcohol

Article ID	Journal	Published Year	Pages	File Type
5423561	Surface Science	2011	7 Pages	PDF

Abstract

âº We built a novel and reasonable model of carbon black. âº PVA molecules were stacked on the surface of CB layer by layer. âº The dispersion stability of modified CB is better than that of unmodified CB. âº Surface modification can alleviate agglomeration phenomenon significantly. âº The increasing of PVA would improve the compatibility of modified CB.

Keywords

Surface modification mesoscopic simulation Molecular dynamics simulation polyvinyl alcohol Carbon black

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Molecular dynamics simulation on surface modification of carbon black with polyvinyl alcohol

Authors

Shijin Dong, Juntao Yan, Nan Xu, Jia Xu, Hongyan Wang,