Negative-ion electrospray
ionization
(ESI) Fourier-transform ion cyclotron resonance mass spectrometry
(FT-ICR MS) was used to study the effect of the pyrolysis temperature
(400, 430, 460, 490, and 520 °C) on acidic and neutral nitrogen
species in Huadian shale oil. To more accurately analyze the influence,
shale oils produced during the heat-up stage were abandoned. The results
show that because of the influence of polymerization and cracking
reactions, the increase in temperature increases the content of pyrrole,
thiophene, furan, phenol, and aromatic ring cores and decreases the
content of carboxylic acid, respectively. Among all the heteroatom
compounds identified from negative-ion ESI FT-ICR MS, the relative
abundance of N
1
O
1
, N
1
O
2
, N
1
O
3
, N
2
, N
2
O
1
, O
1
, O
3
, O
1
S
1
, and N
1
S
1
species increases, whereas that of O
2
and O
4
species decreases as the pyrolysis temperature
increases. The decrease in the O
2
species can be attributed
to carboxylic acid with a double-bond equivalence (DBE) value of 1,
whereas the increase in the O
2
species with DBE values
of 7 and 9 can be attributed to the formation of furan, phenol, and
aromatic ring by the polymerization reaction at higher pyrolysis temperatures.
Although the effect of the reaction temperature on the molecular composition
of acidic and neutral nitrogen species is complex, still characteristic
rules are found in this study.