To
carry out an in-depth study of the macromolecular differences
of vitrinite and inertinite with metamorphism degree, ultimate analysis,
Fourier transform infrared (FTIR) spectroscopy, micro-Raman spectroscopy,
and X-ray diffraction (XRD) were performed on coal macerals by density
gradient centrifugation (DGC). Results show that carbon gradually
increases rapidly, hydrogen and oxygen decrease significantly, sulfur
gradually decreases, and the change of nitrogen is not obvious with
coal rank. Functional groups (ether, carbonyl, hydroxyl, and methylene)
gradually fall off with R
o,max, and the
molecular chains are reconnected to larger macromolecular chains,
which eventually increases the maturity and aromaticity of vitrinite
and inertinite. The shedding of aliphatic side chains and oxygen functional
groups makes the arrangement of coal macromolecules more orderly,
the lattice defects of C atom less, and the structure closer to graphitization,
which finally show as the decrease of d
002 and the increase of L
a and L
c. The aromatic structure parameters (f
a–F, I, DOC) of vitrinite are lower than those
of inertinite, which indicates that the maturity and aromaticity degree
of vitrinite are lower than those of inertinite; the aliphatic side
chains of vitrinite are larger than those of inertinite, which makes
the hydrocarbon generation potential of vitrinite higher than that
of inertinite. Vitrinite has more functional groups and complex structure
than inertinite, which makes its C atom lattice defects larger and
graphitization degree lower than inertinite. Finally, the heterogeneity
of macromolecular structure of vitrinite is larger than that of inertinite.
This study can provide the basis for macromolecular structure evolution
and molecular modeling of coal macerals.