A lignite molecular model was constructed based on experimental results of multiple techniques, which was then adjusted by concentrations of covalent bonds.
Following
the low-temperature preoxidation of Zhundong coal, the
relationship between oxygen-containing functional groups and the release
of Na and Cl during pyrolysis was systematically investigated using
a one-stage quartz fluidized-bed/fixed-bed experimental system. The
different forms of Na were quantified by sequential extraction and
inductively coupled plasma optical emission spectrometry (ICP-OES),
while the different forms of Cl were quantified using the Eschka method
and X-ray photoelectron spectroscopy (XPS). Fourier transform infrared
(FTIR) spectroscopy was also employed to characterize the functional
groups. During oxidation at 200 °C, large quantities of Cl were
released, and oxygen-containing functional groups were produced. In
addition, inorganic Na was converted into organic Na through ion exchange
between Na and the oxygen-containing groups. In this study, NaCl was
loaded onto the acid-washed coal sample, but it was found that the
release of Na and Cl was not coordinated during pyrolysis. Indeed,
the preoxidation of coal effectively inhibited the release of Na and
promoted the release of Cl at 500 and 600 °C, whereas at 700,
800, and 900 °C, Cl release was inhibited. On the basis of the
results obtained from sequential extraction and XPS analysis, it was
apparent that in preoxidized coal samples, the conversion of inorganic
Na/Cl to organic Na and organic Cl was promoted during pyrolysis.
In addition, the decrease in Cl content in the gas phase may account
for the fixation of Na.
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