The chemical and
alignment structures of coal impacts coalbed methane
behavior: adsorption, desorption, and diffusion. Recently, the research
on accurate characterization techniques for coal structure has received
widespread attention. In particular, spatial alignment is critical
for the molecular modeling of coal. However, due to the great challenges
of quantification, spatial alignment has often been ignored in previous
studies. In this study, high-resolution transmission electron microscopy
(HRTEM) was employed to quantitatively characterize the fringe length,
orientation, and stacking distributions of these five coal samples
with different ranks. Raman spectroscopy was utilized to investigate
the overall structural disorder of the coal molecules.
13
C nuclear magnetic resonance (
13
C NMR) was conducted to
characterize the chemical structures of coals, and XRD experiments
recorded the transition of the microcrystallite structure. The results
show that in the range of %
R
o
= 0.39–2.07%,
the distributions of the aromatic structural units were similar: mainly
composed of fringes of size equivalent to naphthalene and 2 ×
2 and 3 × 3 rings. When %
R
o
>
2.07%,
the distribution shifted to longer fringes. Moreover, all the samples
showed a regional orientation, and when %
R
o
> 2.07%, there was significantly higher alignment. The degree
of
stacking of fringes were limited, most of which appeared in the form
of a single layer. When %
R
o
< 2.07%,
the stacking appeared in the form of two or three layers. However,
five-layer stacking merely appeared in the sample with %
R
o
= 2.47%. In addition, based on the Raman data, the evolution
of carbon disorder was divided into three stages: %
R
o
= 0.39–1.23%, 1.23–2.07%, and 2.07–2.47%,
and aromatization caused the overall disorder to decrease. The
13
C NMR data indicated that the chemical structure also transitioned
in stages, with aliphatic carbon and oxygen-containing groups gradually
decreasing and aromatic carbon increasing. Meanwhile, the XRD data
supported increased organization (lower
d
002
values) with maturities. Thus, this study provides quantitative
information about the spatial alignment and the size of aromatic rings,
which helps to improve a comprehensive understanding of the chemical
structure of coal and coalbed methane behaviors.