A Molecular Modeling Study of the SO2 Deactivation of an Amine Resin and a Procedure to Avoid SO2 Deactivation using a Poly Ethylene Glycol/tertiary amine System
2020
Since
2012, the polymeric resin Lewatit R VP OC 1065 has been investigated
for removal of CO2 from various process streams and air.
The present article focuses on the deactivation mechanism of the resin
with SO2 and a work around. This is important for CO2 capture from flue gas of coal-fired power plants and fuel
oil. The deactivation of the resin was already experimentally observed
in 2013 but thus far not described computationally. Molecular modeling
shows that Lewatit R VP OC 1065 is deactivated by irreversible formation
of dimeric amine–SO2 charge-transfer complexes which
are very stable and resist thermal and chemical desorption. Additional
support for this view was found in the work on aminosilica adsorbents
for CO2 capture, which are subject to SO2 deactivation
also. Therefore, attention was paid to a procedure to avoid SO2 deactivation. Polyethylene glycol (PEG)/tertiary amine systems
seem to be very promising. Their reported high SO2/CO2 selectivities, SO2 capacities, and ease of regeneration
were computationally confirmed by identifying their mode of action
and favorable thermodynamics. As a result, a combination of a PEG/tertiary
amine system with Lewatit R VP OC 1065 might be a very attractive
candidate two-step process to capture both SO2 and CO2 from flue gas originating from coal-fired power plants and
large ships.
Keywords:
- Correction
- Source
- Cite
- Save
- Machine Reading By IdeaReader
19
References
1
Citations
NaN
KQI