Quantitative relationship between surface chemistry of graphene and compatibility with rubbers established by two-dimensional solubility parameters.

ABSTRACT: Hildebrand (δ _T) and Hansen (δ _D, δ _P, δ _H) solubility parameters are important indexes to predict the compatibility of components intuitively. Currently, almost all the experiments only measured the solubility parameters of the pristine graphene. Therefore, there is a lack of quantitative relationship between the surface chemistry of graphene and solubility parameters, resulting in no theoretical guidance for the surface modification of graphene. In this work, three-dimensional Hansen solubility parameters are converted to two-dimensional solubility parameters. Hildebrand and two-dimensional solubility parameters of six functionalized graphene as a function of grafting ratio are calculated by molecular dynamics (MD) s

SUBMITTER: Wang R 

PROVIDER: S-EPMC11629941 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature