In the oxy-fuel combustion flue gas, a complex atmosphere
of acid
gases such as SO2, HCl, and NO generally exist at the same
time. In this work, the effects of SO2, HCl, and NO on
Hg removal of carbon-based material by NH4Br and HNO3 co-modification are investigated at the experimental level,
and the effects of SO2 and NO on Hg removal are studied
at the theoretical level. FTIR analysis shows that the co-modification
can effectively introduce Br and N–H into the adsorbent. The
introduction of HCl and NO can alleviate the inhibitory effect of
SO2, which is due to the facilitated conversion of Hg0 to HgCl2 and HgO. XPS results show that the reason
adsorbent co-modification with NH4Br and HNO3 possess sulfur resistance effect is that the modification promotes
the generation of C–O* and C–Br functional groups and
converts Hg0 into HgO and HgBr2, HgBr2 is further converted into HgSO4.The surface adsorption
energy, electrostatic potential distribution, bond length variation,
and Mulliken charge population transfers of modified char under different
working conditions are calculated by DFT simulations. The results
indicate that the order of the magnitude of the interaction between
different substrates with Hg0 is C–SO2 < C–SO2–NO < C.