ie9b01310_si_001.pdf (294.2 kB)
Mechanistic Study on Adsorption Desulfurization Using Modified Graphene
journal contribution
posted on 2019-05-23, 00:00 authored by Peng Zhang, Xiangyang Mao, Bolun YangTo enhance the adsorption desulfurization
performance of graphene,
graphene oxide was first hydrophobically modified by using dodecylamine
and then reduced. Adsorption desulfurization experiments were performed
on graphene with different degrees of reduction, where dibenzothiophene
(DBT) was selected as thiophenic sulfur. FTIR, XRD, SEM, EDS, XPS,
contact angle test, and elemental analysis showed that dodecylamine
was successfully grafted onto a graphene surface, which could enhance
the hydrophobic properties of graphene and effectively prevent the
agglomeration of graphene sheets during the reduction process. Adsorption
experiments showed that graphene with a higher degree of reduction
had a larger DBT adsorption capacity. Density functional theory plus
dispersion force correction calculation results showed that graphene
with intact π-conjugated structure had the highest adsorption
energy for DBT. Further population analysis showed that this π–π
interaction was mainly caused by the dispersion force. The modification
process can effectively recover the π-conjugated structure of
graphene and enhance the π–π interaction with the
thiophenic sulfur.