Browsing Gas Processing Center by Subject "Binding energy"
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Application of DFT in iron sulfide scale removal from oil and gas wells
( European Association of Geoscientists and Engineers, EAGE , 2019 , Conference Paper)Scale formation including those formed by iron sulfides have been a major hassle in the upstream sector of the oil and gas industry for many decades. Iron Sulfide scales including pyrite (FeS2) and troilite (FeS) often ... -
Optimization of selection of chain amine scrubbers for CO2 capture
( Springer Verlag , 2014 , Article)In order to optimize the selection of a suitable amine molecule for CO2 scrubbers, a series of ab initio calculations were performed at the B3LYP/6-31+G(d,p) level of theory. Diethylenetriamine was used as a simple chain ...